id	sid	tid	token	lemma	pos
cord-329318-eo8auo1f	1	1	key	key	JJ
cord-329318-eo8auo1f	1	2	:	:	:
cord-329318-eo8auo1f	1	3	cord-329318-eo8auo1f	cord-329318-eo8auo1f	.
cord-329318-eo8auo1f	1	4	authors	author	NNS
cord-329318-eo8auo1f	1	5	:	:	:
cord-329318-eo8auo1f	1	6	Gusarov	Gusarov	NNP
cord-329318-eo8auo1f	1	7	,	,	,
cord-329318-eo8auo1f	1	8	Sergey	Sergey	NNP
cord-329318-eo8auo1f	1	9	;	;	:
cord-329318-eo8auo1f	1	10	Stoyanov	Stoyanov	NNP
cord-329318-eo8auo1f	1	11	,	,	,
cord-329318-eo8auo1f	1	12	Stanislav	Stanislav	NNP
cord-329318-eo8auo1f	1	13	R.	R.	NNP
cord-329318-eo8auo1f	1	14	title	title	NN
cord-329318-eo8auo1f	1	15	:	:	:
cord-329318-eo8auo1f	1	16	COSMO	COSMO	NNP
cord-329318-eo8auo1f	1	17	-	-	HYPH
cord-329318-eo8auo1f	1	18	RS	RS	NNP
cord-329318-eo8auo1f	1	19	-	-	HYPH
cord-329318-eo8auo1f	1	20	Based	base	VBN
cord-329318-eo8auo1f	1	21	Descriptors	descriptor	NNS
cord-329318-eo8auo1f	1	22	for	for	IN
cord-329318-eo8auo1f	1	23	the	the	DT
cord-329318-eo8auo1f	1	24	Machine	Machine	NNP
cord-329318-eo8auo1f	1	25	Learning	Learning	NNP
cord-329318-eo8auo1f	1	26	-	-	HYPH
cord-329318-eo8auo1f	1	27	Enabled	Enabled	NNP
cord-329318-eo8auo1f	1	28	Screening	screening	NN
cord-329318-eo8auo1f	1	29	of	of	IN
cord-329318-eo8auo1f	1	30	Nucleotide	Nucleotide	NNP
cord-329318-eo8auo1f	1	31	Analogue	Analogue	NNP
cord-329318-eo8auo1f	1	32	Drugs	Drugs	NNPS
cord-329318-eo8auo1f	1	33	against	against	IN
cord-329318-eo8auo1f	1	34	SARS	SARS	NNP
cord-329318-eo8auo1f	1	35	-	-	HYPH
cord-329318-eo8auo1f	1	36	CoV-2	CoV-2	NNP
cord-329318-eo8auo1f	1	37	date	date	NN
cord-329318-eo8auo1f	1	38	:	:	:
cord-329318-eo8auo1f	1	39	2020	2020	CD
cord-329318-eo8auo1f	1	40	-	-	SYM
cord-329318-eo8auo1f	1	41	10	10	CD
cord-329318-eo8auo1f	1	42	-	-	SYM
cord-329318-eo8auo1f	1	43	26	26	CD
cord-329318-eo8auo1f	1	44	journal	journal	NN
cord-329318-eo8auo1f	1	45	:	:	:
cord-329318-eo8auo1f	2	1	J	J	NNP
cord-329318-eo8auo1f	2	2	Phys	Phys	NNP
cord-329318-eo8auo1f	2	3	Chem	Chem	NNP
cord-329318-eo8auo1f	2	4	Lett	Lett	NNP
cord-329318-eo8auo1f	2	5	DOI	DOI	NNP
cord-329318-eo8auo1f	3	1	:	:	:
cord-329318-eo8auo1f	3	2	10.1021	10.1021	CD
cord-329318-eo8auo1f	3	3	/	/	SYM
cord-329318-eo8auo1f	3	4	acs.jpclett.0c02836	acs.jpclett.0c02836	NNP
cord-329318-eo8auo1f	3	5	sha	sha	NNP
cord-329318-eo8auo1f	3	6	:	:	:
cord-329318-eo8auo1f	4	1	29c87dc19b34c0affb40103c826099e2aa63a7fb	29c87dc19b34c0affb40103c826099e2aa63a7fb	CD
cord-329318-eo8auo1f	4	2	doc_id	doc_id	CD
cord-329318-eo8auo1f	4	3	:	:	:
cord-329318-eo8auo1f	4	4	329318	329318	CD
cord-329318-eo8auo1f	4	5	cord_uid	cord_uid	NNS
cord-329318-eo8auo1f	4	6	:	:	:
cord-329318-eo8auo1f	4	7	eo8auo1f	eo8auo1f	NN
cord-329318-eo8auo1f	5	1	[	[	-LRB-
cord-329318-eo8auo1f	5	2	Image	image	NN
cord-329318-eo8auo1f	5	3	:	:	:
cord-329318-eo8auo1f	5	4	see	see	VB
cord-329318-eo8auo1f	5	5	text	text	NN
cord-329318-eo8auo1f	5	6	]	]	-RRB-
cord-329318-eo8auo1f	6	1	Chemical	chemical	JJ
cord-329318-eo8auo1f	6	2	similarity	similarity	NN
cord-329318-eo8auo1f	6	3	-	-	HYPH
cord-329318-eo8auo1f	6	4	based	base	VBN
cord-329318-eo8auo1f	6	5	approaches	approach	NNS
cord-329318-eo8auo1f	6	6	employed	employ	VBN
cord-329318-eo8auo1f	6	7	to	to	TO
cord-329318-eo8auo1f	6	8	repurpose	repurpose	VB
cord-329318-eo8auo1f	6	9	or	or	CC
cord-329318-eo8auo1f	6	10	develop	develop	VB
cord-329318-eo8auo1f	6	11	new	new	JJ
cord-329318-eo8auo1f	6	12	treatments	treatment	NNS
cord-329318-eo8auo1f	6	13	for	for	IN
cord-329318-eo8auo1f	6	14	emerging	emerge	VBG
cord-329318-eo8auo1f	6	15	diseases	disease	NNS
cord-329318-eo8auo1f	6	16	,	,	,
cord-329318-eo8auo1f	6	17	such	such	JJ
cord-329318-eo8auo1f	6	18	as	as	IN
cord-329318-eo8auo1f	6	19	COVID-19	COVID-19	NNP
cord-329318-eo8auo1f	6	20	,	,	,
cord-329318-eo8auo1f	6	21	correlates	correlate	VBZ
cord-329318-eo8auo1f	6	22	molecular	molecular	JJ
cord-329318-eo8auo1f	6	23	structure	structure	NN
cord-329318-eo8auo1f	6	24	-	-	HYPH
cord-329318-eo8auo1f	6	25	based	base	VBN
cord-329318-eo8auo1f	6	26	descriptors	descriptor	NNS
cord-329318-eo8auo1f	6	27	of	of	IN
cord-329318-eo8auo1f	6	28	drugs	drug	NNS
cord-329318-eo8auo1f	6	29	with	with	IN
cord-329318-eo8auo1f	6	30	those	those	DT
cord-329318-eo8auo1f	6	31	of	of	IN
cord-329318-eo8auo1f	6	32	a	a	DT
cord-329318-eo8auo1f	6	33	physiological	physiological	JJ
cord-329318-eo8auo1f	6	34	counterpart	counterpart	NN
cord-329318-eo8auo1f	6	35	or	or	CC
cord-329318-eo8auo1f	6	36	clinical	clinical	JJ
cord-329318-eo8auo1f	6	37	phenotype	phenotype	NN
cord-329318-eo8auo1f	6	38	.	.	.
cord-329318-eo8auo1f	7	1	We	-PRON-	PRP
cord-329318-eo8auo1f	7	2	propose	propose	VBP
cord-329318-eo8auo1f	7	3	novel	novel	JJ
cord-329318-eo8auo1f	7	4	descriptors	descriptor	NNS
cord-329318-eo8auo1f	7	5	based	base	VBN
cord-329318-eo8auo1f	7	6	on	on	IN
cord-329318-eo8auo1f	7	7	a	a	DT
cord-329318-eo8auo1f	7	8	COSMO	COSMO	NNP
cord-329318-eo8auo1f	7	9	-	-	HYPH
cord-329318-eo8auo1f	7	10	RS	RS	NNP
cord-329318-eo8auo1f	7	11	(	(	-LRB-
cord-329318-eo8auo1f	7	12	short	short	JJ
cord-329318-eo8auo1f	7	13	for	for	IN
cord-329318-eo8auo1f	7	14	conductor	conductor	NN
cord-329318-eo8auo1f	7	15	-	-	HYPH
cord-329318-eo8auo1f	7	16	like	like	JJ
cord-329318-eo8auo1f	7	17	screening	screening	NN
cord-329318-eo8auo1f	7	18	model	model	NN
cord-329318-eo8auo1f	7	19	for	for	IN
cord-329318-eo8auo1f	7	20	real	real	JJ
cord-329318-eo8auo1f	7	21	solvents	solvent	NNS
cord-329318-eo8auo1f	7	22	)	)	-RRB-
cord-329318-eo8auo1f	8	1	σ	σ	NN
cord-329318-eo8auo1f	8	2	-	-	HYPH
cord-329318-eo8auo1f	8	3	profiles	profile	NNS
cord-329318-eo8auo1f	8	4	for	for	IN
cord-329318-eo8auo1f	8	5	enhanced	enhanced	JJ
cord-329318-eo8auo1f	8	6	drug	drug	NN
cord-329318-eo8auo1f	8	7	screening	screening	NN
cord-329318-eo8auo1f	8	8	enabled	enable	VBN
cord-329318-eo8auo1f	8	9	by	by	IN
cord-329318-eo8auo1f	8	10	machine	machine	NN
cord-329318-eo8auo1f	8	11	learning	learning	NN
cord-329318-eo8auo1f	8	12	(	(	-LRB-
cord-329318-eo8auo1f	8	13	ML	ML	NNP
cord-329318-eo8auo1f	8	14	)	)	-RRB-
cord-329318-eo8auo1f	8	15	.	.	.
cord-329318-eo8auo1f	9	1	The	the	DT
cord-329318-eo8auo1f	9	2	descriptors	descriptor	NNS
cord-329318-eo8auo1f	9	3	’	’	POS
cord-329318-eo8auo1f	9	4	performance	performance	NN
cord-329318-eo8auo1f	9	5	is	be	VBZ
cord-329318-eo8auo1f	9	6	hereby	hereby	RB
cord-329318-eo8auo1f	9	7	illustrated	illustrate	VBN
cord-329318-eo8auo1f	9	8	for	for	IN
cord-329318-eo8auo1f	9	9	nucleotide	nucleotide	JJ
cord-329318-eo8auo1f	9	10	analogue	analogue	JJ
cord-329318-eo8auo1f	9	11	drugs	drug	NNS
cord-329318-eo8auo1f	9	12	that	that	WDT
cord-329318-eo8auo1f	9	13	inhibit	inhibit	VBP
cord-329318-eo8auo1f	9	14	the	the	DT
cord-329318-eo8auo1f	9	15	ribonucleic	ribonucleic	JJ
cord-329318-eo8auo1f	9	16	acid	acid	NN
cord-329318-eo8auo1f	9	17	-	-	HYPH
cord-329318-eo8auo1f	9	18	dependent	dependent	JJ
cord-329318-eo8auo1f	9	19	ribonucleic	ribonucleic	NN
cord-329318-eo8auo1f	9	20	acid	acid	NN
cord-329318-eo8auo1f	9	21	polymerase	polymerase	NN
cord-329318-eo8auo1f	9	22	,	,	,
cord-329318-eo8auo1f	9	23	key	key	JJ
cord-329318-eo8auo1f	9	24	to	to	IN
cord-329318-eo8auo1f	9	25	viral	viral	JJ
cord-329318-eo8auo1f	9	26	transcription	transcription	NN
cord-329318-eo8auo1f	9	27	and	and	CC
cord-329318-eo8auo1f	9	28	genome	genome	NN
cord-329318-eo8auo1f	9	29	replication	replication	NN
cord-329318-eo8auo1f	9	30	.	.	.
cord-329318-eo8auo1f	10	1	The	the	DT
cord-329318-eo8auo1f	10	2	COSMO	COSMO	NNP
cord-329318-eo8auo1f	10	3	-	-	HYPH
cord-329318-eo8auo1f	10	4	RS	rs	NN
cord-329318-eo8auo1f	10	5	-	-	HYPH
cord-329318-eo8auo1f	10	6	based	base	VBN
cord-329318-eo8auo1f	10	7	descriptors	descriptor	NNS
cord-329318-eo8auo1f	10	8	account	account	VBP
cord-329318-eo8auo1f	10	9	for	for	IN
cord-329318-eo8auo1f	10	10	both	both	DT
cord-329318-eo8auo1f	10	11	chemical	chemical	JJ
cord-329318-eo8auo1f	10	12	reactivity	reactivity	NN
cord-329318-eo8auo1f	10	13	and	and	CC
cord-329318-eo8auo1f	10	14	structure	structure	NN
cord-329318-eo8auo1f	10	15	,	,	,
cord-329318-eo8auo1f	10	16	and	and	CC
cord-329318-eo8auo1f	10	17	are	be	VBP
cord-329318-eo8auo1f	10	18	more	more	RBR
cord-329318-eo8auo1f	10	19	effective	effective	JJ
cord-329318-eo8auo1f	10	20	for	for	IN
cord-329318-eo8auo1f	10	21	ML	ml	NN
cord-329318-eo8auo1f	10	22	-	-	HYPH
cord-329318-eo8auo1f	10	23	based	base	VBN
cord-329318-eo8auo1f	10	24	screening	screening	NN
cord-329318-eo8auo1f	10	25	than	than	IN
cord-329318-eo8auo1f	10	26	fingerprints	fingerprint	NNS
cord-329318-eo8auo1f	10	27	based	base	VBN
cord-329318-eo8auo1f	10	28	on	on	IN
cord-329318-eo8auo1f	10	29	molecular	molecular	JJ
cord-329318-eo8auo1f	10	30	structure	structure	NN
cord-329318-eo8auo1f	10	31	and	and	CC
cord-329318-eo8auo1f	10	32	simple	simple	JJ
cord-329318-eo8auo1f	10	33	physical	physical	JJ
cord-329318-eo8auo1f	10	34	/	/	SYM
cord-329318-eo8auo1f	10	35	chemical	chemical	NN
cord-329318-eo8auo1f	10	36	properties	property	NNS
cord-329318-eo8auo1f	10	37	.	.	.
cord-329318-eo8auo1f	11	1	The	the	DT
cord-329318-eo8auo1f	11	2	descriptors	descriptor	NNS
cord-329318-eo8auo1f	11	3	are	be	VBP
cord-329318-eo8auo1f	11	4	evaluated	evaluate	VBN
cord-329318-eo8auo1f	11	5	using	use	VBG
cord-329318-eo8auo1f	11	6	principal	principal	JJ
cord-329318-eo8auo1f	11	7	component	component	NN
cord-329318-eo8auo1f	11	8	analysis	analysis	NN
cord-329318-eo8auo1f	11	9	,	,	,
cord-329318-eo8auo1f	11	10	an	an	DT
cord-329318-eo8auo1f	11	11	unsupervised	unsupervised	JJ
cord-329318-eo8auo1f	11	12	ML	ml	NN
cord-329318-eo8auo1f	11	13	technique	technique	NN
cord-329318-eo8auo1f	11	14	.	.	.
cord-329318-eo8auo1f	12	1	Our	-PRON-	PRP$
cord-329318-eo8auo1f	12	2	results	result	NNS
cord-329318-eo8auo1f	12	3	correlate	correlate	VBP
cord-329318-eo8auo1f	12	4	with	with	IN
cord-329318-eo8auo1f	12	5	the	the	DT
cord-329318-eo8auo1f	12	6	active	active	JJ
cord-329318-eo8auo1f	12	7	monophosphate	monophosphate	NN
cord-329318-eo8auo1f	12	8	forms	form	NNS
cord-329318-eo8auo1f	12	9	of	of	IN
cord-329318-eo8auo1f	12	10	the	the	DT
cord-329318-eo8auo1f	12	11	leading	lead	VBG
cord-329318-eo8auo1f	12	12	drug	drug	NN
cord-329318-eo8auo1f	12	13	remdesivir	remdesivir	NNP
cord-329318-eo8auo1f	12	14	and	and	CC
cord-329318-eo8auo1f	12	15	the	the	DT
cord-329318-eo8auo1f	12	16	prospective	prospective	JJ
cord-329318-eo8auo1f	12	17	drug	drug	NN
cord-329318-eo8auo1f	12	18	EIDD-2801	EIDD-2801	NNP
cord-329318-eo8auo1f	12	19	with	with	IN
cord-329318-eo8auo1f	12	20	nucleotides	nucleotide	NNS
cord-329318-eo8auo1f	12	21	,	,	,
cord-329318-eo8auo1f	12	22	followed	follow	VBN
cord-329318-eo8auo1f	12	23	by	by	IN
cord-329318-eo8auo1f	12	24	other	other	JJ
cord-329318-eo8auo1f	12	25	promising	promising	JJ
cord-329318-eo8auo1f	12	26	drugs	drug	NNS
cord-329318-eo8auo1f	12	27	,	,	,
cord-329318-eo8auo1f	12	28	and	and	CC
cord-329318-eo8auo1f	12	29	are	be	VBP
cord-329318-eo8auo1f	12	30	superior	superior	JJ
cord-329318-eo8auo1f	12	31	to	to	IN
cord-329318-eo8auo1f	12	32	those	those	DT
cord-329318-eo8auo1f	12	33	from	from	IN
cord-329318-eo8auo1f	12	34	molecular	molecular	JJ
cord-329318-eo8auo1f	12	35	structure	structure	NN
cord-329318-eo8auo1f	12	36	-	-	HYPH
cord-329318-eo8auo1f	12	37	based	base	VBN
cord-329318-eo8auo1f	12	38	descriptors	descriptor	NNS
cord-329318-eo8auo1f	12	39	and	and	CC
cord-329318-eo8auo1f	12	40	molecular	molecular	JJ
cord-329318-eo8auo1f	12	41	docking	docking	NN
cord-329318-eo8auo1f	12	42	.	.	.
cord-329318-eo8auo1f	13	1	The	the	DT
cord-329318-eo8auo1f	13	2	COSMO	COSMO	NNP
cord-329318-eo8auo1f	13	3	-	-	HYPH
cord-329318-eo8auo1f	13	4	RS	rs	NN
cord-329318-eo8auo1f	13	5	-	-	HYPH
cord-329318-eo8auo1f	13	6	based	base	VBN
cord-329318-eo8auo1f	13	7	descriptors	descriptor	NNS
cord-329318-eo8auo1f	13	8	could	could	MD
cord-329318-eo8auo1f	13	9	help	help	VB
cord-329318-eo8auo1f	13	10	accelerate	accelerate	VB
cord-329318-eo8auo1f	13	11	drug	drug	NN
cord-329318-eo8auo1f	13	12	discovery	discovery	NN
cord-329318-eo8auo1f	13	13	for	for	IN
cord-329318-eo8auo1f	13	14	the	the	DT
cord-329318-eo8auo1f	13	15	treatment	treatment	NN
cord-329318-eo8auo1f	13	16	of	of	IN
cord-329318-eo8auo1f	13	17	emerging	emerge	VBG
cord-329318-eo8auo1f	13	18	diseases	disease	NNS
cord-329318-eo8auo1f	13	19	.	.	.
cord-329318-eo8auo1f	14	1	O	o	UH
cord-329318-eo8auo1f	14	2	n	n	CC
cord-329318-eo8auo1f	14	3	March	March	NNP
cord-329318-eo8auo1f	14	4	11	11	CD
cord-329318-eo8auo1f	14	5	,	,	,
cord-329318-eo8auo1f	14	6	2020	2020	CD
cord-329318-eo8auo1f	14	7	,	,	,
cord-329318-eo8auo1f	14	8	the	the	DT
cord-329318-eo8auo1f	14	9	World	World	NNP
cord-329318-eo8auo1f	14	10	Health	Health	NNP
cord-329318-eo8auo1f	14	11	Organization	Organization	NNP
cord-329318-eo8auo1f	14	12	declared	declare	VBD
cord-329318-eo8auo1f	14	13	the	the	DT
cord-329318-eo8auo1f	14	14	disease	disease	NN
cord-329318-eo8auo1f	14	15	COVID-19	COVID-19	NNP
cord-329318-eo8auo1f	14	16	,	,	,
cord-329318-eo8auo1f	14	17	caused	cause	VBN
cord-329318-eo8auo1f	14	18	by	by	IN
cord-329318-eo8auo1f	14	19	the	the	DT
cord-329318-eo8auo1f	14	20	new	new	JJ
cord-329318-eo8auo1f	14	21	virus	virus	NN
cord-329318-eo8auo1f	14	22	severe	severe	JJ
cord-329318-eo8auo1f	14	23	acute	acute	JJ
cord-329318-eo8auo1f	14	24	respiratory	respiratory	JJ
cord-329318-eo8auo1f	14	25	syndrome	syndrome	NN
cord-329318-eo8auo1f	14	26	coronavirus	coronavirus	NN
cord-329318-eo8auo1f	14	27	2	2	CD
cord-329318-eo8auo1f	15	1	(	(	-LRB-
cord-329318-eo8auo1f	15	2	SARS	SARS	NNP
cord-329318-eo8auo1f	15	3	-	-	HYPH
cord-329318-eo8auo1f	15	4	CoV-2	CoV-2	NNP
cord-329318-eo8auo1f	15	5	)	)	-RRB-
cord-329318-eo8auo1f	15	6	,	,	,
cord-329318-eo8auo1f	15	7	as	as	IN
cord-329318-eo8auo1f	15	8	a	a	DT
cord-329318-eo8auo1f	15	9	pandemic	pandemic	NN
cord-329318-eo8auo1f	15	10	.	.	.
cord-329318-eo8auo1f	16	1	1	1	LS
cord-329318-eo8auo1f	16	2	SARS	SARS	NNP
cord-329318-eo8auo1f	16	3	-	-	HYPH
cord-329318-eo8auo1f	16	4	CoV-2	CoV-2	NNP
cord-329318-eo8auo1f	16	5	is	be	VBZ
cord-329318-eo8auo1f	16	6	a	a	DT
cord-329318-eo8auo1f	16	7	positive	positive	JJ
cord-329318-eo8auo1f	16	8	,	,	,
cord-329318-eo8auo1f	16	9	nonsegmented	nonsegmented	JJ
cord-329318-eo8auo1f	16	10	,	,	,
cord-329318-eo8auo1f	16	11	single	single	RB
cord-329318-eo8auo1f	16	12	-	-	HYPH
cord-329318-eo8auo1f	16	13	stranded	strand	VBN
cord-329318-eo8auo1f	16	14	ribonucleic	ribonucleic	NN
cord-329318-eo8auo1f	16	15	acid	acid	NN
cord-329318-eo8auo1f	16	16	(	(	-LRB-
cord-329318-eo8auo1f	16	17	RNA	RNA	NNP
cord-329318-eo8auo1f	16	18	)	)	-RRB-
cord-329318-eo8auo1f	16	19	β	β	NN
cord-329318-eo8auo1f	16	20	-	-	HYPH
cord-329318-eo8auo1f	16	21	coronavirus	coronavirus	NN
cord-329318-eo8auo1f	16	22	that	that	WDT
cord-329318-eo8auo1f	16	23	belongs	belong	VBZ
cord-329318-eo8auo1f	16	24	to	to	IN
cord-329318-eo8auo1f	16	25	the	the	DT
cord-329318-eo8auo1f	16	26	large	large	JJ
cord-329318-eo8auo1f	16	27	family	family	NN
cord-329318-eo8auo1f	16	28	of	of	IN
cord-329318-eo8auo1f	16	29	human	human	JJ
cord-329318-eo8auo1f	16	30	coronaviruses	coronaviruse	NNS
cord-329318-eo8auo1f	16	31	,	,	,
cord-329318-eo8auo1f	16	32	along	along	IN
cord-329318-eo8auo1f	16	33	with	with	IN
cord-329318-eo8auo1f	16	34	SARS	SARS	NNP
cord-329318-eo8auo1f	16	35	-	-	HYPH
cord-329318-eo8auo1f	16	36	CoV-1	CoV-1	NNP
cord-329318-eo8auo1f	16	37	and	and	CC
cord-329318-eo8auo1f	16	38	Middle	Middle	NNP
cord-329318-eo8auo1f	16	39	East	East	NNP
cord-329318-eo8auo1f	16	40	respiratory	respiratory	JJ
cord-329318-eo8auo1f	16	41	syndrome	syndrome	NN
cord-329318-eo8auo1f	16	42	coronavirus	coronavirus	NN
cord-329318-eo8auo1f	16	43	(	(	-LRB-
cord-329318-eo8auo1f	16	44	MERS	MERS	NNP
cord-329318-eo8auo1f	16	45	-	-	HYPH
cord-329318-eo8auo1f	16	46	CoV	CoV	NNP
cord-329318-eo8auo1f	16	47	)	)	-RRB-
cord-329318-eo8auo1f	16	48	.	.	.
cord-329318-eo8auo1f	17	1	2	2	LS
cord-329318-eo8auo1f	17	2	,	,	,
cord-329318-eo8auo1f	17	3	3	3	CD
cord-329318-eo8auo1f	18	1	To	to	IN
cord-329318-eo8auo1f	18	2	date	date	NN
cord-329318-eo8auo1f	18	3	,	,	,
cord-329318-eo8auo1f	18	4	a	a	DT
cord-329318-eo8auo1f	18	5	vaccine	vaccine	NN
cord-329318-eo8auo1f	18	6	and	and	CC
cord-329318-eo8auo1f	18	7	effective	effective	JJ
cord-329318-eo8auo1f	18	8	therapies	therapy	NNS
cord-329318-eo8auo1f	18	9	for	for	IN
cord-329318-eo8auo1f	18	10	the	the	DT
cord-329318-eo8auo1f	18	11	prevention	prevention	NN
cord-329318-eo8auo1f	18	12	or	or	CC
cord-329318-eo8auo1f	18	13	treatment	treatment	NN
cord-329318-eo8auo1f	18	14	of	of	IN
cord-329318-eo8auo1f	18	15	COVID-19	COVID-19	NNP
cord-329318-eo8auo1f	18	16	are	be	VBP
cord-329318-eo8auo1f	18	17	not	not	RB
cord-329318-eo8auo1f	18	18	available	available	JJ
cord-329318-eo8auo1f	18	19	.	.	.
cord-329318-eo8auo1f	19	1	4	4	LS
cord-329318-eo8auo1f	20	1	The	the	DT
cord-329318-eo8auo1f	20	2	research	research	NN
cord-329318-eo8auo1f	20	3	community	community	NN
cord-329318-eo8auo1f	20	4	has	have	VBZ
cord-329318-eo8auo1f	20	5	vigorously	vigorously	RB
cord-329318-eo8auo1f	20	6	launched	launch	VBN
cord-329318-eo8auo1f	20	7	or	or	CC
cord-329318-eo8auo1f	20	8	planned	plan	VBD
cord-329318-eo8auo1f	20	9	numerous	numerous	JJ
cord-329318-eo8auo1f	20	10	COVID-19	COVID-19	NNP
cord-329318-eo8auo1f	20	11	research	research	NN
cord-329318-eo8auo1f	20	12	projects	project	NNS
cord-329318-eo8auo1f	20	13	and	and	CC
cord-329318-eo8auo1f	20	14	clinical	clinical	JJ
cord-329318-eo8auo1f	20	15	trials	trial	NNS
cord-329318-eo8auo1f	20	16	.	.	.
cord-329318-eo8auo1f	21	1	5	5	LS
cord-329318-eo8auo1f	22	1	Considering	consider	VBG
cord-329318-eo8auo1f	22	2	the	the	DT
cord-329318-eo8auo1f	22	3	limited	limited	JJ
cord-329318-eo8auo1f	22	4	knowledge	knowledge	NN
cord-329318-eo8auo1f	22	5	of	of	IN
cord-329318-eo8auo1f	22	6	the	the	DT
cord-329318-eo8auo1f	22	7	SARS	SARS	NNP
cord-329318-eo8auo1f	22	8	-	-	HYPH
cord-329318-eo8auo1f	22	9	CoV-2	CoV-2	NNP
cord-329318-eo8auo1f	22	10	infection	infection	NN
cord-329318-eo8auo1f	22	11	process	process	NN
cord-329318-eo8auo1f	22	12	,	,	,
cord-329318-eo8auo1f	22	13	researchers	researcher	NNS
cord-329318-eo8auo1f	22	14	are	be	VBP
cord-329318-eo8auo1f	22	15	currently	currently	RB
cord-329318-eo8auo1f	22	16	developing	develop	VBG
cord-329318-eo8auo1f	22	17	treatments	treatment	NNS
cord-329318-eo8auo1f	22	18	based	base	VBN
cord-329318-eo8auo1f	22	19	on	on	IN
cord-329318-eo8auo1f	22	20	the	the	DT
cord-329318-eo8auo1f	22	21	knowledge	knowledge	NN
cord-329318-eo8auo1f	22	22	of	of	IN
cord-329318-eo8auo1f	22	23	other	other	JJ
cord-329318-eo8auo1f	22	24	SARS	SARS	NNP
cord-329318-eo8auo1f	22	25	viruses	virus	NNS
cord-329318-eo8auo1f	22	26	.	.	.
cord-329318-eo8auo1f	23	1	6	6	CD
cord-329318-eo8auo1f	24	1	The	the	DT
cord-329318-eo8auo1f	24	2	COVID-19	COVID-19	NNP
cord-329318-eo8auo1f	24	3	drug	drug	NN
cord-329318-eo8auo1f	24	4	discovery	discovery	NN
cord-329318-eo8auo1f	24	5	effort	effort	NN
cord-329318-eo8auo1f	24	6	is	be	VBZ
cord-329318-eo8auo1f	24	7	to	to	IN
cord-329318-eo8auo1f	24	8	a	a	DT
cord-329318-eo8auo1f	24	9	large	large	JJ
cord-329318-eo8auo1f	24	10	extent	extent	NN
cord-329318-eo8auo1f	24	11	focused	focus	VBN
cord-329318-eo8auo1f	24	12	on	on	IN
cord-329318-eo8auo1f	24	13	the	the	DT
cord-329318-eo8auo1f	24	14	inhibition	inhibition	NN
cord-329318-eo8auo1f	24	15	of	of	IN
cord-329318-eo8auo1f	24	16	the	the	DT
cord-329318-eo8auo1f	24	17	angiotensin	angiotensin	NN
cord-329318-eo8auo1f	24	18	converting	convert	VBG
cord-329318-eo8auo1f	24	19	enzyme	enzyme	NN
cord-329318-eo8auo1f	24	20	II	II	NNP
cord-329318-eo8auo1f	24	21	(	(	-LRB-
cord-329318-eo8auo1f	24	22	ACE2	ACE2	NNP
cord-329318-eo8auo1f	24	23	)	)	-RRB-
cord-329318-eo8auo1f	24	24	,	,	,
cord-329318-eo8auo1f	24	25	assisting	assist	VBG
cord-329318-eo8auo1f	24	26	in	in	IN
cord-329318-eo8auo1f	24	27	viral	viral	JJ
cord-329318-eo8auo1f	24	28	entry	entry	NN
cord-329318-eo8auo1f	24	29	,	,	,
cord-329318-eo8auo1f	24	30	and	and	CC
cord-329318-eo8auo1f	24	31	RNA	RNA	NNP
cord-329318-eo8auo1f	24	32	-	-	HYPH
cord-329318-eo8auo1f	24	33	dependent	dependent	JJ
cord-329318-eo8auo1f	24	34	RNA	RNA	NNP
cord-329318-eo8auo1f	24	35	polymerase	polymerase	NN
cord-329318-eo8auo1f	24	36	(	(	-LRB-
cord-329318-eo8auo1f	24	37	RdRp	RdRp	NNP
cord-329318-eo8auo1f	24	38	)	)	-RRB-
cord-329318-eo8auo1f	24	39	,	,	,
cord-329318-eo8auo1f	24	40	catalyzing	catalyze	VBG
cord-329318-eo8auo1f	24	41	viral	viral	JJ
cord-329318-eo8auo1f	24	42	transcription	transcription	NN
cord-329318-eo8auo1f	24	43	.	.	.
cord-329318-eo8auo1f	25	1	7−9	7−9	NNP
cord-329318-eo8auo1f	26	1	Currently	currently	RB
cord-329318-eo8auo1f	26	2	,	,	,
cord-329318-eo8auo1f	26	3	the	the	DT
cord-329318-eo8auo1f	26	4	leading	lead	VBG
cord-329318-eo8auo1f	26	5	anti	anti	JJ
cord-329318-eo8auo1f	26	6	-	-	JJ
cord-329318-eo8auo1f	26	7	SARS	SARS	NNP
cord-329318-eo8auo1f	26	8	-	-	HYPH
cord-329318-eo8auo1f	26	9	CoV-2	CoV-2	NNP
cord-329318-eo8auo1f	26	10	drug	drug	NN
cord-329318-eo8auo1f	26	11	remdesivir	remdesivir	NNS
cord-329318-eo8auo1f	26	12	and	and	CC
cord-329318-eo8auo1f	26	13	highly	highly	RB
cord-329318-eo8auo1f	26	14	promising	promising	JJ
cord-329318-eo8auo1f	26	15	EIDD-2801	eidd-2801	NN
cord-329318-eo8auo1f	26	16	with	with	IN
cord-329318-eo8auo1f	26	17	active	active	JJ
cord-329318-eo8auo1f	26	18	forms	form	NNS
cord-329318-eo8auo1f	26	19	designed	design	VBN
cord-329318-eo8auo1f	26	20	to	to	TO
cord-329318-eo8auo1f	26	21	inhibit	inhibit	VB
cord-329318-eo8auo1f	26	22	the	the	DT
cord-329318-eo8auo1f	26	23	RdRp	RdRp	NNP
cord-329318-eo8auo1f	26	24	-	-	HYPH
cord-329318-eo8auo1f	26	25	catalyzed	catalyze	VBN
cord-329318-eo8auo1f	26	26	RNA	RNA	NNP
cord-329318-eo8auo1f	26	27	replication	replication	NN
cord-329318-eo8auo1f	26	28	by	by	IN
cord-329318-eo8auo1f	26	29	mimicking	mimic	VBG
cord-329318-eo8auo1f	26	30	nucleotides	nucleotide	NNS
cord-329318-eo8auo1f	26	31	are	be	VBP
cord-329318-eo8auo1f	26	32	under	under	IN
cord-329318-eo8auo1f	26	33	intensive	intensive	JJ
cord-329318-eo8auo1f	26	34	clinical	clinical	JJ
cord-329318-eo8auo1f	26	35	studies	study	NNS
cord-329318-eo8auo1f	26	36	.	.	.
cord-329318-eo8auo1f	27	1	10	10	CD
cord-329318-eo8auo1f	27	2	,	,	,
cord-329318-eo8auo1f	27	3	11	11	CD
cord-329318-eo8auo1f	27	4	Drug	drug	NN
cord-329318-eo8auo1f	27	5	development	development	NN
cord-329318-eo8auo1f	27	6	faces	face	VBZ
cord-329318-eo8auo1f	27	7	multifold	multifold	JJ
cord-329318-eo8auo1f	27	8	challenges	challenge	NNS
cord-329318-eo8auo1f	27	9	,	,	,
cord-329318-eo8auo1f	27	10	such	such	JJ
cord-329318-eo8auo1f	27	11	as	as	IN
cord-329318-eo8auo1f	27	12	extended	extended	JJ
cord-329318-eo8auo1f	27	13	time	time	NN
cord-329318-eo8auo1f	27	14	to	to	TO
cord-329318-eo8auo1f	27	15	bring	bring	VB
cord-329318-eo8auo1f	27	16	new	new	JJ
cord-329318-eo8auo1f	27	17	drugs	drug	NNS
cord-329318-eo8auo1f	27	18	to	to	IN
cord-329318-eo8auo1f	27	19	the	the	DT
cord-329318-eo8auo1f	27	20	market	market	NN
cord-329318-eo8auo1f	27	21	,	,	,
cord-329318-eo8auo1f	27	22	high	high	JJ
cord-329318-eo8auo1f	27	23	attrition	attrition	NN
cord-329318-eo8auo1f	27	24	rates	rate	NNS
cord-329318-eo8auo1f	27	25	,	,	,
cord-329318-eo8auo1f	27	26	and	and	CC
cord-329318-eo8auo1f	27	27	changing	change	VBG
cord-329318-eo8auo1f	27	28	regulatory	regulatory	JJ
cord-329318-eo8auo1f	27	29	requirements	requirement	NNS
cord-329318-eo8auo1f	27	30	.	.	.
cord-329318-eo8auo1f	28	1	12	12	CD
cord-329318-eo8auo1f	28	2	,	,	,
cord-329318-eo8auo1f	28	3	13	13	CD
cord-329318-eo8auo1f	29	1	The	the	DT
cord-329318-eo8auo1f	29	2	repurposing	repurposing	NN
cord-329318-eo8auo1f	29	3	of	of	IN
cord-329318-eo8auo1f	29	4	market	market	NN
cord-329318-eo8auo1f	29	5	-	-	HYPH
cord-329318-eo8auo1f	29	6	available	available	JJ
cord-329318-eo8auo1f	29	7	or	or	CC
cord-329318-eo8auo1f	29	8	investigational	investigational	JJ
cord-329318-eo8auo1f	29	9	drugs	drug	NNS
cord-329318-eo8auo1f	29	10	for	for	IN
cord-329318-eo8auo1f	29	11	the	the	DT
cord-329318-eo8auo1f	29	12	treatment	treatment	NN
cord-329318-eo8auo1f	29	13	of	of	IN
cord-329318-eo8auo1f	29	14	new	new	JJ
cord-329318-eo8auo1f	29	15	or	or	CC
cord-329318-eo8auo1f	29	16	rare	rare	JJ
cord-329318-eo8auo1f	29	17	diseases	disease	NNS
cord-329318-eo8auo1f	29	18	is	be	VBZ
cord-329318-eo8auo1f	29	19	increasingly	increasingly	RB
cord-329318-eo8auo1f	29	20	becoming	become	VBG
cord-329318-eo8auo1f	29	21	attractive	attractive	JJ
cord-329318-eo8auo1f	29	22	,	,	,
cord-329318-eo8auo1f	29	23	because	because	IN
cord-329318-eo8auo1f	29	24	it	-PRON-	PRP
cord-329318-eo8auo1f	29	25	reduces	reduce	VBZ
cord-329318-eo8auo1f	29	26	the	the	DT
cord-329318-eo8auo1f	29	27	risk	risk	NN
cord-329318-eo8auo1f	29	28	,	,	,
cord-329318-eo8auo1f	29	29	cost	cost	NN
cord-329318-eo8auo1f	29	30	,	,	,
cord-329318-eo8auo1f	29	31	and	and	CC
cord-329318-eo8auo1f	29	32	timeline	timeline	NN
cord-329318-eo8auo1f	29	33	for	for	IN
cord-329318-eo8auo1f	29	34	drug	drug	NN
cord-329318-eo8auo1f	29	35	development	development	NN
cord-329318-eo8auo1f	29	36	.	.	.
cord-329318-eo8auo1f	30	1	13	13	CD
cord-329318-eo8auo1f	30	2	,	,	,
cord-329318-eo8auo1f	30	3	14	14	CD
cord-329318-eo8auo1f	30	4	Computational	computational	JJ
cord-329318-eo8auo1f	30	5	data	data	NN
cord-329318-eo8auo1f	30	6	-	-	HYPH
cord-329318-eo8auo1f	30	7	driven	drive	VBN
cord-329318-eo8auo1f	30	8	approaches	approach	NNS
cord-329318-eo8auo1f	30	9	for	for	IN
cord-329318-eo8auo1f	30	10	drug	drug	NN
cord-329318-eo8auo1f	30	11	screening	screening	NN
cord-329318-eo8auo1f	30	12	are	be	VBP
cord-329318-eo8auo1f	30	13	particularly	particularly	RB
cord-329318-eo8auo1f	30	14	useful	useful	JJ
cord-329318-eo8auo1f	30	15	for	for	IN
cord-329318-eo8auo1f	30	16	the	the	DT
cord-329318-eo8auo1f	30	17	identification	identification	NN
cord-329318-eo8auo1f	30	18	of	of	IN
cord-329318-eo8auo1f	30	19	drug	drug	NN
cord-329318-eo8auo1f	30	20	candidates	candidate	NNS
cord-329318-eo8auo1f	30	21	.	.	.
cord-329318-eo8auo1f	31	1	The	the	DT
cord-329318-eo8auo1f	31	2	initial	initial	JJ
cord-329318-eo8auo1f	31	3	identification	identification	NN
cord-329318-eo8auo1f	31	4	step	step	NN
cord-329318-eo8auo1f	31	5	is	be	VBZ
cord-329318-eo8auo1f	31	6	typically	typically	RB
cord-329318-eo8auo1f	31	7	followed	follow	VBN
cord-329318-eo8auo1f	31	8	by	by	IN
cord-329318-eo8auo1f	31	9	a	a	DT
cord-329318-eo8auo1f	31	10	mechanistic	mechanistic	JJ
cord-329318-eo8auo1f	31	11	assessment	assessment	NN
cord-329318-eo8auo1f	31	12	in	in	IN
cord-329318-eo8auo1f	31	13	preclinical	preclinical	JJ
cord-329318-eo8auo1f	31	14	models	model	NNS
cord-329318-eo8auo1f	31	15	and	and	CC
cord-329318-eo8auo1f	31	16	ultimately	ultimately	RB
cord-329318-eo8auo1f	31	17	by	by	IN
cord-329318-eo8auo1f	31	18	clinical	clinical	JJ
cord-329318-eo8auo1f	31	19	trials	trial	NNS
cord-329318-eo8auo1f	31	20	.	.	.
cord-329318-eo8auo1f	32	1	13	13	CD
cord-329318-eo8auo1f	33	1	Among	among	IN
cord-329318-eo8auo1f	33	2	the	the	DT
cord-329318-eo8auo1f	33	3	computational	computational	JJ
cord-329318-eo8auo1f	33	4	approaches	approach	NNS
cord-329318-eo8auo1f	33	5	,	,	,
cord-329318-eo8auo1f	33	6	signature	signature	NN
cord-329318-eo8auo1f	33	7	matching	matching	NN
cord-329318-eo8auo1f	33	8	and	and	CC
cord-329318-eo8auo1f	33	9	molecular	molecular	JJ
cord-329318-eo8auo1f	33	10	docking	docking	NN
cord-329318-eo8auo1f	33	11	are	be	VBP
cord-329318-eo8auo1f	33	12	based	base	VBN
cord-329318-eo8auo1f	33	13	on	on	IN
cord-329318-eo8auo1f	33	14	chemical	chemical	NN
cord-329318-eo8auo1f	33	15	structure	structure	NN
cord-329318-eo8auo1f	33	16	analysis	analysis	NN
cord-329318-eo8auo1f	33	17	,	,	,
cord-329318-eo8auo1f	33	18	while	while	IN
cord-329318-eo8auo1f	33	19	genome	genome	NNP
cord-329318-eo8auo1f	33	20	association	association	NNP
cord-329318-eo8auo1f	33	21	,	,	,
cord-329318-eo8auo1f	33	22	pathway	pathway	NN
cord-329318-eo8auo1f	33	23	mapping	mapping	NN
cord-329318-eo8auo1f	33	24	,	,	,
cord-329318-eo8auo1f	33	25	and	and	CC
cord-329318-eo8auo1f	33	26	retrospective	retrospective	JJ
cord-329318-eo8auo1f	33	27	clinical	clinical	JJ
cord-329318-eo8auo1f	33	28	analysis	analysis	NN
cord-329318-eo8auo1f	33	29	involve	involve	VBP
cord-329318-eo8auo1f	33	30	genome	genome	NN
cord-329318-eo8auo1f	33	31	data	datum	NNS
cord-329318-eo8auo1f	33	32	and	and	CC
cord-329318-eo8auo1f	33	33	electronic	electronic	JJ
cord-329318-eo8auo1f	33	34	health	health	NN
cord-329318-eo8auo1f	33	35	records	record	NNS
cord-329318-eo8auo1f	33	36	screening	screening	NN
cord-329318-eo8auo1f	33	37	.	.	.
cord-329318-eo8auo1f	34	1	15	15	CD
cord-329318-eo8auo1f	34	2	Chemical	Chemical	NNP
cord-329318-eo8auo1f	34	3	and	and	CC
cord-329318-eo8auo1f	34	4	structural	structural	JJ
cord-329318-eo8auo1f	34	5	similarity	similarity	NN
cord-329318-eo8auo1f	34	6	-	-	HYPH
cord-329318-eo8auo1f	34	7	based	base	VBN
cord-329318-eo8auo1f	34	8	methods	method	NNS
cord-329318-eo8auo1f	34	9	rely	rely	VBP
cord-329318-eo8auo1f	34	10	on	on	IN
cord-329318-eo8auo1f	34	11	the	the	DT
cord-329318-eo8auo1f	34	12	hypothesis	hypothesis	NN
cord-329318-eo8auo1f	34	13	that	that	IN
cord-329318-eo8auo1f	34	14	structural	structural	JJ
cord-329318-eo8auo1f	34	15	similarity	similarity	NN
cord-329318-eo8auo1f	34	16	implies	imply	VBZ
cord-329318-eo8auo1f	34	17	correlation	correlation	NN
cord-329318-eo8auo1f	34	18	at	at	IN
cord-329318-eo8auo1f	34	19	the	the	DT
cord-329318-eo8auo1f	34	20	therapeutic	therapeutic	JJ
cord-329318-eo8auo1f	34	21	effect	effect	NN
cord-329318-eo8auo1f	34	22	or	or	CC
cord-329318-eo8auo1f	34	23	drug	drug	NN
cord-329318-eo8auo1f	34	24	-	-	HYPH
cord-329318-eo8auo1f	34	25	target	target	NN
cord-329318-eo8auo1f	34	26	level	level	NN
cord-329318-eo8auo1f	34	27	.	.	.
cord-329318-eo8auo1f	35	1	16	16	CD
cord-329318-eo8auo1f	35	2	Molecular	molecular	JJ
cord-329318-eo8auo1f	35	3	docking	docking	NN
cord-329318-eo8auo1f	35	4	and	and	CC
cord-329318-eo8auo1f	35	5	chemical	chemical	NN
cord-329318-eo8auo1f	35	6	similarity	similarity	NN
cord-329318-eo8auo1f	35	7	-	-	HYPH
cord-329318-eo8auo1f	35	8	based	base	VBN
cord-329318-eo8auo1f	35	9	strategies	strategy	NNS
cord-329318-eo8auo1f	35	10	have	have	VBP
cord-329318-eo8auo1f	35	11	been	be	VBN
cord-329318-eo8auo1f	35	12	employed	employ	VBN
cord-329318-eo8auo1f	35	13	to	to	TO
cord-329318-eo8auo1f	35	14	study	study	VB
cord-329318-eo8auo1f	35	15	the	the	DT
cord-329318-eo8auo1f	35	16	pharmacological	pharmacological	JJ
cord-329318-eo8auo1f	35	17	activity	activity	NN
cord-329318-eo8auo1f	35	18	and	and	CC
cord-329318-eo8auo1f	35	19	screen	screen	NN
cord-329318-eo8auo1f	35	20	antiviral	antiviral	JJ
cord-329318-eo8auo1f	35	21	drugs	drug	NNS
cord-329318-eo8auo1f	35	22	against	against	IN
cord-329318-eo8auo1f	35	23	key	key	JJ
cord-329318-eo8auo1f	35	24	enzymes	enzyme	NNS
cord-329318-eo8auo1f	35	25	of	of	IN
cord-329318-eo8auo1f	35	26	SARS	SARS	NNP
cord-329318-eo8auo1f	35	27	-	-	HYPH
cord-329318-eo8auo1f	35	28	CoV-2	CoV-2	NNP
cord-329318-eo8auo1f	35	29	.	.	.
cord-329318-eo8auo1f	36	1	17−19	17−19	CD
cord-329318-eo8auo1f	37	1	However	however	RB
cord-329318-eo8auo1f	37	2	,	,	,
cord-329318-eo8auo1f	37	3	in	in	IN
cord-329318-eo8auo1f	37	4	some	some	DT
cord-329318-eo8auo1f	37	5	cases	case	NNS
cord-329318-eo8auo1f	37	6	,	,	,
cord-329318-eo8auo1f	37	7	computational	computational	JJ
cord-329318-eo8auo1f	37	8	screening	screening	NN
cord-329318-eo8auo1f	37	9	methods	method	NNS
cord-329318-eo8auo1f	37	10	are	be	VBP
cord-329318-eo8auo1f	37	11	not	not	RB
cord-329318-eo8auo1f	37	12	in	in	IN
cord-329318-eo8auo1f	37	13	full	full	JJ
cord-329318-eo8auo1f	37	14	agreement	agreement	NN
cord-329318-eo8auo1f	37	15	with	with	IN
cord-329318-eo8auo1f	37	16	in	in	IN
cord-329318-eo8auo1f	37	17	vitro	vitro	FW
cord-329318-eo8auo1f	37	18	,	,	,
cord-329318-eo8auo1f	37	19	preclinical	preclinical	JJ
cord-329318-eo8auo1f	37	20	,	,	,
cord-329318-eo8auo1f	37	21	and	and	CC
cord-329318-eo8auo1f	37	22	clinical	clinical	JJ
cord-329318-eo8auo1f	37	23	studies	study	NNS
cord-329318-eo8auo1f	37	24	,	,	,
cord-329318-eo8auo1f	37	25	20	20	CD
cord-329318-eo8auo1f	37	26	and	and	CC
cord-329318-eo8auo1f	37	27	even	even	RB
cord-329318-eo8auo1f	37	28	the	the	DT
cord-329318-eo8auo1f	37	29	clinical	clinical	JJ
cord-329318-eo8auo1f	37	30	studies	study	NNS
cord-329318-eo8auo1f	37	31	of	of	IN
cord-329318-eo8auo1f	37	32	remdesivir	remdesivir	NNP
cord-329318-eo8auo1f	37	33	have	have	VBP
cord-329318-eo8auo1f	37	34	different	different	JJ
cord-329318-eo8auo1f	37	35	conclusions	conclusion	NNS
cord-329318-eo8auo1f	37	36	.	.	.
cord-329318-eo8auo1f	38	1	10	10	CD
cord-329318-eo8auo1f	38	2	,	,	,
cord-329318-eo8auo1f	38	3	21	21	CD
cord-329318-eo8auo1f	39	1	Due	due	IN
cord-329318-eo8auo1f	39	2	to	to	IN
cord-329318-eo8auo1f	39	3	the	the	DT
cord-329318-eo8auo1f	39	4	global	global	JJ
cord-329318-eo8auo1f	39	5	urgency	urgency	NN
cord-329318-eo8auo1f	39	6	and	and	CC
cord-329318-eo8auo1f	39	7	large	large	JJ
cord-329318-eo8auo1f	39	8	number	number	NN
cord-329318-eo8auo1f	39	9	of	of	IN
cord-329318-eo8auo1f	39	10	possible	possible	JJ
cord-329318-eo8auo1f	39	11	drugs	drug	NNS
cord-329318-eo8auo1f	39	12	,	,	,
cord-329318-eo8auo1f	39	13	more	more	RBR
cord-329318-eo8auo1f	39	14	accurate	accurate	JJ
cord-329318-eo8auo1f	39	15	and	and	CC
cord-329318-eo8auo1f	39	16	enhanced	enhanced	JJ
cord-329318-eo8auo1f	39	17	computational	computational	JJ
cord-329318-eo8auo1f	39	18	methods	method	NNS
cord-329318-eo8auo1f	39	19	are	be	VBP
cord-329318-eo8auo1f	39	20	needed	need	VBN
cord-329318-eo8auo1f	39	21	.	.	.
cord-329318-eo8auo1f	40	1	One	one	CD
cord-329318-eo8auo1f	40	2	of	of	IN
cord-329318-eo8auo1f	40	3	the	the	DT
cord-329318-eo8auo1f	40	4	potentially	potentially	RB
cord-329318-eo8auo1f	40	5	promising	promising	JJ
cord-329318-eo8auo1f	40	6	ways	way	NNS
cord-329318-eo8auo1f	40	7	to	to	TO
cord-329318-eo8auo1f	40	8	improve	improve	VB
cord-329318-eo8auo1f	40	9	predictability	predictability	NN
cord-329318-eo8auo1f	40	10	is	be	VBZ
cord-329318-eo8auo1f	40	11	through	through	IN
cord-329318-eo8auo1f	40	12	the	the	DT
cord-329318-eo8auo1f	40	13	use	use	NN
cord-329318-eo8auo1f	40	14	of	of	IN
cord-329318-eo8auo1f	40	15	artificial	artificial	JJ
cord-329318-eo8auo1f	40	16	intelligence	intelligence	NN
cord-329318-eo8auo1f	40	17	(	(	-LRB-
cord-329318-eo8auo1f	40	18	AI	AI	NNP
cord-329318-eo8auo1f	40	19	)	)	-RRB-
cord-329318-eo8auo1f	40	20	and	and	CC
cord-329318-eo8auo1f	40	21	machine	machine	NN
cord-329318-eo8auo1f	40	22	learning	learning	NN
cord-329318-eo8auo1f	40	23	(	(	-LRB-
cord-329318-eo8auo1f	40	24	ML	ML	NNP
cord-329318-eo8auo1f	40	25	)	)	-RRB-
cord-329318-eo8auo1f	40	26	.	.	.
cord-329318-eo8auo1f	41	1	Increasingly	increasingly	RB
cord-329318-eo8auo1f	41	2	popular	popular	JJ
cord-329318-eo8auo1f	41	3	in	in	IN
cord-329318-eo8auo1f	41	4	drug	drug	NN
cord-329318-eo8auo1f	41	5	development	development	NN
cord-329318-eo8auo1f	41	6	,	,	,
cord-329318-eo8auo1f	41	7	ML	ml	NN
cord-329318-eo8auo1f	41	8	techniques	technique	NNS
cord-329318-eo8auo1f	41	9	allow	allow	VBP
cord-329318-eo8auo1f	41	10	the	the	DT
cord-329318-eo8auo1f	41	11	automation	automation	NN
cord-329318-eo8auo1f	41	12	of	of	IN
cord-329318-eo8auo1f	41	13	multidimensional	multidimensional	JJ
cord-329318-eo8auo1f	41	14	data	datum	NNS
cord-329318-eo8auo1f	41	15	analysis	analysis	NN
cord-329318-eo8auo1f	41	16	,	,	,
cord-329318-eo8auo1f	41	17	22	22	CD
cord-329318-eo8auo1f	41	18	and	and	CC
cord-329318-eo8auo1f	41	19	have	have	VBP
cord-329318-eo8auo1f	41	20	shown	show	VBN
cord-329318-eo8auo1f	41	21	great	great	JJ
cord-329318-eo8auo1f	41	22	promise	promise	NN
cord-329318-eo8auo1f	41	23	for	for	IN
cord-329318-eo8auo1f	41	24	new	new	JJ
cord-329318-eo8auo1f	41	25	drug	drug	NN
cord-329318-eo8auo1f	41	26	development	development	NN
cord-329318-eo8auo1f	41	27	and	and	CC
cord-329318-eo8auo1f	41	28	repositioning	repositioning	NN
cord-329318-eo8auo1f	41	29	.	.	.
cord-329318-eo8auo1f	42	1	12	12	CD
cord-329318-eo8auo1f	42	2	,	,	,
cord-329318-eo8auo1f	42	3	23	23	CD
cord-329318-eo8auo1f	42	4	,	,	,
cord-329318-eo8auo1f	42	5	24	24	CD
cord-329318-eo8auo1f	42	6	Based	base	VBN
cord-329318-eo8auo1f	42	7	on	on	IN
cord-329318-eo8auo1f	42	8	a	a	DT
cord-329318-eo8auo1f	42	9	training	training	NN
cord-329318-eo8auo1f	42	10	set	set	NN
cord-329318-eo8auo1f	42	11	,	,	,
cord-329318-eo8auo1f	42	12	ML	ML	NNP
cord-329318-eo8auo1f	42	13	approaches	approach	NNS
cord-329318-eo8auo1f	42	14	enable	enable	VBP
cord-329318-eo8auo1f	42	15	the	the	DT
cord-329318-eo8auo1f	42	16	screening	screening	NN
cord-329318-eo8auo1f	42	17	of	of	IN
cord-329318-eo8auo1f	42	18	efficient	efficient	JJ
cord-329318-eo8auo1f	42	19	drug	drug	NN
cord-329318-eo8auo1f	42	20	candidates	candidate	NNS
cord-329318-eo8auo1f	42	21	without	without	IN
cord-329318-eo8auo1f	42	22	having	have	VBG
cord-329318-eo8auo1f	42	23	a	a	DT
cord-329318-eo8auo1f	42	24	deep	deep	JJ
cord-329318-eo8auo1f	42	25	knowledge	knowledge	NN
cord-329318-eo8auo1f	42	26	of	of	IN
cord-329318-eo8auo1f	42	27	the	the	DT
cord-329318-eo8auo1f	42	28	underlying	underlie	VBG
cord-329318-eo8auo1f	42	29	processes	process	NNS
cord-329318-eo8auo1f	42	30	.	.	.
cord-329318-eo8auo1f	43	1	The	the	DT
cord-329318-eo8auo1f	43	2	key	key	NN
cord-329318-eo8auo1f	43	3	to	to	IN
cord-329318-eo8auo1f	43	4	the	the	DT
cord-329318-eo8auo1f	43	5	efficiency	efficiency	NN
cord-329318-eo8auo1f	43	6	of	of	IN
cord-329318-eo8auo1f	43	7	ML	ML	NNP
cord-329318-eo8auo1f	43	8	methods	method	NNS
cord-329318-eo8auo1f	43	9	is	be	VBZ
cord-329318-eo8auo1f	43	10	the	the	DT
cord-329318-eo8auo1f	43	11	use	use	NN
cord-329318-eo8auo1f	43	12	of	of	IN
cord-329318-eo8auo1f	43	13	representative	representative	JJ
cord-329318-eo8auo1f	43	14	descriptors	descriptor	NNS
cord-329318-eo8auo1f	43	15	or	or	CC
cord-329318-eo8auo1f	43	16	molecular	molecular	JJ
cord-329318-eo8auo1f	43	17	fingerprints	fingerprint	NNS
cord-329318-eo8auo1f	43	18	to	to	TO
cord-329318-eo8auo1f	43	19	translate	translate	VB
cord-329318-eo8auo1f	43	20	the	the	DT
cord-329318-eo8auo1f	43	21	molecular	molecular	JJ
cord-329318-eo8auo1f	43	22	system	system	NN
cord-329318-eo8auo1f	43	23	to	to	IN
cord-329318-eo8auo1f	43	24	a	a	DT
cord-329318-eo8auo1f	43	25	machine	machine	NN
cord-329318-eo8auo1f	43	26	-	-	HYPH
cord-329318-eo8auo1f	43	27	understandable	understandable	JJ
cord-329318-eo8auo1f	43	28	language	language	NN
cord-329318-eo8auo1f	43	29	.	.	.
cord-329318-eo8auo1f	44	1	A	a	DT
cord-329318-eo8auo1f	44	2	number	number	NN
cord-329318-eo8auo1f	44	3	of	of	IN
cord-329318-eo8auo1f	44	4	molecular	molecular	JJ
cord-329318-eo8auo1f	44	5	descriptors	descriptor	NNS
cord-329318-eo8auo1f	44	6	have	have	VBP
cord-329318-eo8auo1f	44	7	been	be	VBN
cord-329318-eo8auo1f	44	8	developed	develop	VBN
cord-329318-eo8auo1f	44	9	and	and	CC
cord-329318-eo8auo1f	44	10	implemented	implement	VBN
cord-329318-eo8auo1f	44	11	into	into	IN
cord-329318-eo8auo1f	44	12	the	the	DT
cord-329318-eo8auo1f	44	13	leading	lead	VBG
cord-329318-eo8auo1f	44	14	software	software	NN
cord-329318-eo8auo1f	44	15	packages	package	NNS
cord-329318-eo8auo1f	44	16	,	,	,
cord-329318-eo8auo1f	44	17	such	such	JJ
cord-329318-eo8auo1f	44	18	as	as	IN
cord-329318-eo8auo1f	44	19	BIOVIA	BIOVIA	NNP
cord-329318-eo8auo1f	44	20	Discovery	Discovery	NNP
cord-329318-eo8auo1f	44	21	Studio	Studio	NNP
cord-329318-eo8auo1f	44	22	2020	2020	CD
cord-329318-eo8auo1f	44	23	and	and	CC
cord-329318-eo8auo1f	44	24	Schrodinger	Schrodinger	NNP
cord-329318-eo8auo1f	44	25	Suite	Suite	NNP
cord-329318-eo8auo1f	44	26	,	,	,
cord-329318-eo8auo1f	44	27	which	which	WDT
cord-329318-eo8auo1f	44	28	provide	provide	VBP
cord-329318-eo8auo1f	44	29	good	good	JJ
cord-329318-eo8auo1f	44	30	results	result	NNS
cord-329318-eo8auo1f	44	31	for	for	IN
cord-329318-eo8auo1f	44	32	drug	drug	NN
cord-329318-eo8auo1f	44	33	screening	screening	NN
cord-329318-eo8auo1f	44	34	.	.	.
cord-329318-eo8auo1f	45	1	25	25	CD
cord-329318-eo8auo1f	45	2	,	,	,
cord-329318-eo8auo1f	45	3	26	26	CD
cord-329318-eo8auo1f	46	1	The	the	DT
cord-329318-eo8auo1f	46	2	majority	majority	NN
cord-329318-eo8auo1f	46	3	of	of	IN
cord-329318-eo8auo1f	46	4	these	these	DT
cord-329318-eo8auo1f	46	5	descriptors	descriptor	NNS
cord-329318-eo8auo1f	46	6	are	be	VBP
cord-329318-eo8auo1f	46	7	based	base	VBN
cord-329318-eo8auo1f	46	8	on	on	IN
cord-329318-eo8auo1f	46	9	the	the	DT
cord-329318-eo8auo1f	46	10	molecular	molecular	JJ
cord-329318-eo8auo1f	46	11	structure	structure	NN
cord-329318-eo8auo1f	46	12	,	,	,
cord-329318-eo8auo1f	46	13	such	such	JJ
cord-329318-eo8auo1f	46	14	as	as	IN
cord-329318-eo8auo1f	46	15	the	the	DT
cord-329318-eo8auo1f	46	16	number	number	NN
cord-329318-eo8auo1f	46	17	of	of	IN
cord-329318-eo8auo1f	46	18	rings	ring	NNS
cord-329318-eo8auo1f	46	19	,	,	,
cord-329318-eo8auo1f	46	20	hydrogen	hydrogen	NN
cord-329318-eo8auo1f	46	21	bond	bond	NN
cord-329318-eo8auo1f	46	22	donors	donor	NNS
cord-329318-eo8auo1f	46	23	and	and	CC
cord-329318-eo8auo1f	46	24	acceptors	acceptor	NNS
cord-329318-eo8auo1f	46	25	,	,	,
cord-329318-eo8auo1f	46	26	induced	induce	VBN
cord-329318-eo8auo1f	46	27	charges	charge	NNS
cord-329318-eo8auo1f	46	28	,	,	,
cord-329318-eo8auo1f	46	29	etc	etc	FW
cord-329318-eo8auo1f	46	30	.	.	.
cord-329318-eo8auo1f	47	1	It	-PRON-	PRP
cord-329318-eo8auo1f	47	2	is	be	VBZ
cord-329318-eo8auo1f	47	3	worth	worth	JJ
cord-329318-eo8auo1f	47	4	noting	note	VBG
cord-329318-eo8auo1f	47	5	that	that	IN
cord-329318-eo8auo1f	47	6	such	such	JJ
cord-329318-eo8auo1f	47	7	descriptors	descriptor	NNS
cord-329318-eo8auo1f	47	8	are	be	VBP
cord-329318-eo8auo1f	47	9	important	important	JJ
cord-329318-eo8auo1f	47	10	but	but	CC
cord-329318-eo8auo1f	47	11	not	not	RB
cord-329318-eo8auo1f	47	12	sufficient	sufficient	JJ
cord-329318-eo8auo1f	47	13	for	for	IN
cord-329318-eo8auo1f	47	14	the	the	DT
cord-329318-eo8auo1f	47	15	chemical	chemical	JJ
cord-329318-eo8auo1f	47	16	similarity	similarity	NN
cord-329318-eo8auo1f	47	17	analysis	analysis	NN
cord-329318-eo8auo1f	47	18	of	of	IN
cord-329318-eo8auo1f	47	19	ligands	ligand	NNS
cord-329318-eo8auo1f	47	20	and	and	CC
cord-329318-eo8auo1f	47	21	its	-PRON-	PRP$
cord-329318-eo8auo1f	47	22	extension	extension	NN
cord-329318-eo8auo1f	47	23	to	to	IN
cord-329318-eo8auo1f	47	24	ML	ML	NNP
cord-329318-eo8auo1f	47	25	,	,	,
cord-329318-eo8auo1f	47	26	as	as	IN
cord-329318-eo8auo1f	47	27	these	these	DT
cord-329318-eo8auo1f	47	28	yield	yield	VBP
cord-329318-eo8auo1f	47	29	mixed	mixed	JJ
cord-329318-eo8auo1f	47	30	results	result	NNS
cord-329318-eo8auo1f	47	31	regarding	regard	VBG
cord-329318-eo8auo1f	47	32	the	the	DT
cord-329318-eo8auo1f	47	33	ability	ability	NN
cord-329318-eo8auo1f	47	34	to	to	TO
cord-329318-eo8auo1f	47	35	enhance	enhance	VB
cord-329318-eo8auo1f	47	36	the	the	DT
cord-329318-eo8auo1f	47	37	accuracy	accuracy	NN
cord-329318-eo8auo1f	47	38	of	of	IN
cord-329318-eo8auo1f	47	39	ensembleaveraged	ensembleaveraged	JJ
cord-329318-eo8auo1f	47	40	quantity	quantity	NN
cord-329318-eo8auo1f	47	41	prediction	prediction	NN
cord-329318-eo8auo1f	47	42	.	.	.
cord-329318-eo8auo1f	48	1	27	27	CD
cord-329318-eo8auo1f	49	1	Typically	typically	RB
cord-329318-eo8auo1f	49	2	,	,	,
cord-329318-eo8auo1f	49	3	small	small	JJ
cord-329318-eo8auo1f	49	4	drug	drug	NN
cord-329318-eo8auo1f	49	5	molecules	molecule	NNS
cord-329318-eo8auo1f	49	6	interact	interact	VBP
cord-329318-eo8auo1f	49	7	with	with	IN
cord-329318-eo8auo1f	49	8	a	a	DT
cord-329318-eo8auo1f	49	9	protein	protein	NN
cord-329318-eo8auo1f	49	10	active	active	JJ
cord-329318-eo8auo1f	49	11	site	site	NN
cord-329318-eo8auo1f	49	12	localized	localize	VBN
cord-329318-eo8auo1f	49	13	on	on	IN
cord-329318-eo8auo1f	49	14	a	a	DT
cord-329318-eo8auo1f	49	15	small	small	JJ
cord-329318-eo8auo1f	49	16	surface	surface	NN
cord-329318-eo8auo1f	49	17	area	area	NN
cord-329318-eo8auo1f	49	18	in	in	IN
cord-329318-eo8auo1f	49	19	the	the	DT
cord-329318-eo8auo1f	49	20	presence	presence	NN
cord-329318-eo8auo1f	49	21	of	of	IN
cord-329318-eo8auo1f	49	22	a	a	DT
cord-329318-eo8auo1f	49	23	complex	complex	JJ
cord-329318-eo8auo1f	49	24	environment	environment	NN
cord-329318-eo8auo1f	49	25	.	.	.
cord-329318-eo8auo1f	50	1	To	to	TO
cord-329318-eo8auo1f	50	2	capture	capture	VB
cord-329318-eo8auo1f	50	3	the	the	DT
cord-329318-eo8auo1f	50	4	full	full	JJ
cord-329318-eo8auo1f	50	5	picture	picture	NN
cord-329318-eo8auo1f	50	6	of	of	IN
cord-329318-eo8auo1f	50	7	interactions	interaction	NNS
cord-329318-eo8auo1f	50	8	,	,	,
cord-329318-eo8auo1f	50	9	the	the	DT
cord-329318-eo8auo1f	50	10	ideal	ideal	JJ
cord-329318-eo8auo1f	50	11	drug	drug	NN
cord-329318-eo8auo1f	50	12	screening	screening	NN
cord-329318-eo8auo1f	50	13	descriptors	descriptor	NNS
cord-329318-eo8auo1f	50	14	should	should	MD
cord-329318-eo8auo1f	50	15	combine	combine	VB
cord-329318-eo8auo1f	50	16	both	both	DT
cord-329318-eo8auo1f	50	17	structural	structural	JJ
cord-329318-eo8auo1f	50	18	and	and	CC
cord-329318-eo8auo1f	50	19	chemical	chemical	JJ
cord-329318-eo8auo1f	50	20	thermodynamicsbased	thermodynamicsbase	VBN
cord-329318-eo8auo1f	50	21	features	feature	NNS
cord-329318-eo8auo1f	50	22	.	.	.
cord-329318-eo8auo1f	51	1	Methods	method	NNS
cord-329318-eo8auo1f	51	2	based	base	VBN
cord-329318-eo8auo1f	51	3	on	on	IN
cord-329318-eo8auo1f	51	4	ML	ML	NNP
cord-329318-eo8auo1f	51	5	have	have	VBP
cord-329318-eo8auo1f	51	6	successfully	successfully	RB
cord-329318-eo8auo1f	51	7	been	be	VBN
cord-329318-eo8auo1f	51	8	employed	employ	VBN
cord-329318-eo8auo1f	51	9	to	to	TO
cord-329318-eo8auo1f	51	10	replace	replace	VB
cord-329318-eo8auo1f	51	11	the	the	DT
cord-329318-eo8auo1f	51	12	computationally	computationally	RB
cord-329318-eo8auo1f	51	13	expensive	expensive	JJ
cord-329318-eo8auo1f	51	14	docking	docking	NN
cord-329318-eo8auo1f	51	15	and	and	CC
cord-329318-eo8auo1f	51	16	binding	bind	VBG
cord-329318-eo8auo1f	51	17	energy	energy	NN
cord-329318-eo8auo1f	51	18	calculations	calculation	NNS
cord-329318-eo8auo1f	51	19	.	.	.
cord-329318-eo8auo1f	52	1	28	28	CD
cord-329318-eo8auo1f	52	2	,	,	,
cord-329318-eo8auo1f	52	3	29	29	CD
cord-329318-eo8auo1f	53	1	In	in	IN
cord-329318-eo8auo1f	53	2	order	order	NN
cord-329318-eo8auo1f	53	3	to	to	TO
cord-329318-eo8auo1f	53	4	better	better	RB
cord-329318-eo8auo1f	53	5	represent	represent	VB
cord-329318-eo8auo1f	53	6	the	the	DT
cord-329318-eo8auo1f	53	7	ligand	ligand	NN
cord-329318-eo8auo1f	53	8	and	and	CC
cord-329318-eo8auo1f	53	9	its	-PRON-	PRP$
cord-329318-eo8auo1f	53	10	interaction	interaction	NN
cord-329318-eo8auo1f	53	11	with	with	IN
cord-329318-eo8auo1f	53	12	the	the	DT
cord-329318-eo8auo1f	53	13	active	active	JJ
cord-329318-eo8auo1f	53	14	site	site	NN
cord-329318-eo8auo1f	53	15	of	of	IN
cord-329318-eo8auo1f	53	16	a	a	DT
cord-329318-eo8auo1f	53	17	protein	protein	NN
cord-329318-eo8auo1f	53	18	,	,	,
cord-329318-eo8auo1f	53	19	the	the	DT
cord-329318-eo8auo1f	53	20	list	list	NN
cord-329318-eo8auo1f	53	21	of	of	IN
cord-329318-eo8auo1f	53	22	descriptors	descriptor	NNS
cord-329318-eo8auo1f	53	23	should	should	MD
cord-329318-eo8auo1f	53	24	be	be	VB
cord-329318-eo8auo1f	53	25	kept	keep	VBN
cord-329318-eo8auo1f	53	26	short	short	JJ
cord-329318-eo8auo1f	53	27	,	,	,
cord-329318-eo8auo1f	53	28	and	and	CC
cord-329318-eo8auo1f	53	29	strong	strong	JJ
cord-329318-eo8auo1f	53	30	correlations	correlation	NNS
cord-329318-eo8auo1f	53	31	among	among	IN
cord-329318-eo8auo1f	53	32	them	-PRON-	PRP
cord-329318-eo8auo1f	53	33	should	should	MD
cord-329318-eo8auo1f	53	34	be	be	VB
cord-329318-eo8auo1f	53	35	avoided	avoid	VBN
cord-329318-eo8auo1f	53	36	to	to	TO
cord-329318-eo8auo1f	53	37	maintain	maintain	VB
cord-329318-eo8auo1f	53	38	low	low	JJ
cord-329318-eo8auo1f	53	39	degeneracy	degeneracy	NN
cord-329318-eo8auo1f	53	40	.	.	.
cord-329318-eo8auo1f	54	1	In	in	IN
cord-329318-eo8auo1f	54	2	addition	addition	NN
cord-329318-eo8auo1f	54	3	,	,	,
cord-329318-eo8auo1f	54	4	some	some	DT
cord-329318-eo8auo1f	54	5	descriptors	descriptor	NNS
cord-329318-eo8auo1f	54	6	might	may	MD
cord-329318-eo8auo1f	54	7	be	be	VB
cord-329318-eo8auo1f	54	8	chosen	choose	VBN
cord-329318-eo8auo1f	54	9	to	to	TO
cord-329318-eo8auo1f	54	10	avoid	avoid	VB
cord-329318-eo8auo1f	54	11	overlap	overlap	VB
cord-329318-eo8auo1f	54	12	dependence	dependence	NN
cord-329318-eo8auo1f	54	13	from	from	IN
cord-329318-eo8auo1f	54	14	the	the	DT
cord-329318-eo8auo1f	54	15	local	local	JJ
cord-329318-eo8auo1f	54	16	structure	structure	NN
cord-329318-eo8auo1f	54	17	of	of	IN
cord-329318-eo8auo1f	54	18	the	the	DT
cord-329318-eo8auo1f	54	19	binding	binding	NN
cord-329318-eo8auo1f	54	20	site	site	NN
cord-329318-eo8auo1f	54	21	.	.	.
cord-329318-eo8auo1f	55	1	In	in	IN
cord-329318-eo8auo1f	55	2	many	many	JJ
cord-329318-eo8auo1f	55	3	cases	case	NNS
cord-329318-eo8auo1f	55	4	,	,	,
cord-329318-eo8auo1f	55	5	ML	ml	NN
cord-329318-eo8auo1f	55	6	techniques	technique	NNS
cord-329318-eo8auo1f	55	7	can	can	MD
cord-329318-eo8auo1f	55	8	identify	identify	VB
cord-329318-eo8auo1f	55	9	internal	internal	JJ
cord-329318-eo8auo1f	55	10	correlations	correlation	NNS
cord-329318-eo8auo1f	55	11	among	among	IN
cord-329318-eo8auo1f	55	12	variables	variable	NNS
cord-329318-eo8auo1f	55	13	and	and	CC
cord-329318-eo8auo1f	55	14	reduce	reduce	VB
cord-329318-eo8auo1f	55	15	the	the	DT
cord-329318-eo8auo1f	55	16	number	number	NN
cord-329318-eo8auo1f	55	17	of	of	IN
cord-329318-eo8auo1f	55	18	descriptors	descriptor	NNS
cord-329318-eo8auo1f	55	19	.	.	.
cord-329318-eo8auo1f	56	1	One	one	CD
cord-329318-eo8auo1f	56	2	such	such	JJ
cord-329318-eo8auo1f	56	3	technique	technique	NN
cord-329318-eo8auo1f	56	4	is	be	VBZ
cord-329318-eo8auo1f	56	5	the	the	DT
cord-329318-eo8auo1f	56	6	principal	principal	JJ
cord-329318-eo8auo1f	56	7	component	component	NN
cord-329318-eo8auo1f	56	8	analysis	analysis	NN
cord-329318-eo8auo1f	56	9	(	(	-LRB-
cord-329318-eo8auo1f	56	10	PCA	PCA	NNP
cord-329318-eo8auo1f	56	11	)	)	-RRB-
cord-329318-eo8auo1f	56	12	,	,	,
cord-329318-eo8auo1f	56	13	a	a	DT
cord-329318-eo8auo1f	56	14	nonparametric	nonparametric	JJ
cord-329318-eo8auo1f	56	15	statistical	statistical	JJ
cord-329318-eo8auo1f	56	16	ML	ml	NN
cord-329318-eo8auo1f	56	17	technique	technique	NN
cord-329318-eo8auo1f	56	18	,	,	,
cord-329318-eo8auo1f	56	19	which	which	WDT
cord-329318-eo8auo1f	56	20	is	be	VBZ
cord-329318-eo8auo1f	56	21	a	a	DT
cord-329318-eo8auo1f	56	22	very	very	RB
cord-329318-eo8auo1f	56	23	important	important	JJ
cord-329318-eo8auo1f	56	24	hypothesis	hypothesis	NN
cord-329318-eo8auo1f	56	25	-	-	HYPH
cord-329318-eo8auo1f	56	26	generating	generate	VBG
cord-329318-eo8auo1f	56	27	tool	tool	NN
cord-329318-eo8auo1f	56	28	for	for	IN
cord-329318-eo8auo1f	56	29	approaching	approach	VBG
cord-329318-eo8auo1f	56	30	drug	drug	NN
cord-329318-eo8auo1f	56	31	discovery	discovery	NN
cord-329318-eo8auo1f	56	32	by	by	IN
cord-329318-eo8auo1f	56	33	a	a	DT
cord-329318-eo8auo1f	56	34	systemic	systemic	JJ
cord-329318-eo8auo1f	56	35	perspective	perspective	NN
cord-329318-eo8auo1f	56	36	.	.	.
cord-329318-eo8auo1f	57	1	30	30	CD
cord-329318-eo8auo1f	58	1	The	the	DT
cord-329318-eo8auo1f	58	2	contributions	contribution	NNS
cord-329318-eo8auo1f	58	3	of	of	IN
cord-329318-eo8auo1f	58	4	hydrophobic	hydrophobic	JJ
cord-329318-eo8auo1f	58	5	and	and	CC
cord-329318-eo8auo1f	58	6	aromatic	aromatic	JJ
cord-329318-eo8auo1f	58	7	character	character	NN
cord-329318-eo8auo1f	58	8	,	,	,
cord-329318-eo8auo1f	58	9	and	and	CC
cord-329318-eo8auo1f	58	10	molecular	molecular	JJ
cord-329318-eo8auo1f	58	11	shape	shape	NN
cord-329318-eo8auo1f	58	12	to	to	IN
cord-329318-eo8auo1f	58	13	the	the	DT
cord-329318-eo8auo1f	58	14	chemical	chemical	JJ
cord-329318-eo8auo1f	58	15	similarity	similarity	NN
cord-329318-eo8auo1f	58	16	of	of	IN
cord-329318-eo8auo1f	58	17	small	small	JJ
cord-329318-eo8auo1f	58	18	molecule	molecule	NN
cord-329318-eo8auo1f	58	19	drugs	drug	NNS
cord-329318-eo8auo1f	58	20	have	have	VBP
cord-329318-eo8auo1f	58	21	been	be	VBN
cord-329318-eo8auo1f	58	22	analyzed	analyze	VBN
cord-329318-eo8auo1f	58	23	using	use	VBG
cord-329318-eo8auo1f	58	24	PCA	PCA	NNP
cord-329318-eo8auo1f	58	25	to	to	TO
cord-329318-eo8auo1f	58	26	establish	establish	VB
cord-329318-eo8auo1f	58	27	correlations	correlation	NNS
cord-329318-eo8auo1f	58	28	of	of	IN
cord-329318-eo8auo1f	58	29	drug	drug	NN
cord-329318-eo8auo1f	58	30	structures	structure	NNS
cord-329318-eo8auo1f	58	31	with	with	IN
cord-329318-eo8auo1f	58	32	transcriptional	transcriptional	JJ
cord-329318-eo8auo1f	58	33	responses	response	NNS
cord-329318-eo8auo1f	58	34	.	.	.
cord-329318-eo8auo1f	59	1	31	31	CD
cord-329318-eo8auo1f	60	1	The	the	DT
cord-329318-eo8auo1f	60	2	PCA	PCA	NNP
cord-329318-eo8auo1f	60	3	approach	approach	NN
cord-329318-eo8auo1f	60	4	has	have	VBZ
cord-329318-eo8auo1f	60	5	been	be	VBN
cord-329318-eo8auo1f	60	6	employed	employ	VBN
cord-329318-eo8auo1f	60	7	to	to	TO
cord-329318-eo8auo1f	60	8	reduce	reduce	VB
cord-329318-eo8auo1f	60	9	the	the	DT
cord-329318-eo8auo1f	60	10	dimensions	dimension	NNS
cord-329318-eo8auo1f	60	11	of	of	IN
cord-329318-eo8auo1f	60	12	molecular	molecular	JJ
cord-329318-eo8auo1f	60	13	descriptors	descriptor	NNS
cord-329318-eo8auo1f	60	14	and	and	CC
cord-329318-eo8auo1f	60	15	construct	construct	VB
cord-329318-eo8auo1f	60	16	a	a	DT
cord-329318-eo8auo1f	60	17	chemical	chemical	JJ
cord-329318-eo8auo1f	60	18	space	space	NN
cord-329318-eo8auo1f	60	19	to	to	TO
cord-329318-eo8auo1f	60	20	choose	choose	VB
cord-329318-eo8auo1f	60	21	descriptors	descriptor	NNS
cord-329318-eo8auo1f	60	22	which	which	WDT
cord-329318-eo8auo1f	60	23	are	be	VBP
cord-329318-eo8auo1f	60	24	presumed	presume	VBN
cord-329318-eo8auo1f	60	25	best	best	RB
cord-329318-eo8auo1f	60	26	for	for	IN
cord-329318-eo8auo1f	60	27	the	the	DT
cord-329318-eo8auo1f	60	28	particular	particular	JJ
cord-329318-eo8auo1f	60	29	effect	effect	NN
cord-329318-eo8auo1f	60	30	.	.	.
cord-329318-eo8auo1f	61	1	32	32	CD
cord-329318-eo8auo1f	61	2	,	,	,
cord-329318-eo8auo1f	61	3	33	33	CD
cord-329318-eo8auo1f	62	1	The	the	DT
cord-329318-eo8auo1f	62	2	molecular	molecular	JJ
cord-329318-eo8auo1f	62	3	property	property	NN
cord-329318-eo8auo1f	62	4	distributions	distribution	NNS
cord-329318-eo8auo1f	62	5	of	of	IN
cord-329318-eo8auo1f	62	6	drug	drug	NN
cord-329318-eo8auo1f	62	7	-	-	HYPH
cord-329318-eo8auo1f	62	8	like	like	JJ
cord-329318-eo8auo1f	62	9	,	,	,
cord-329318-eo8auo1f	62	10	non	non	JJ
cord-329318-eo8auo1f	62	11	-	-	JJ
cord-329318-eo8auo1f	62	12	drug	drug	JJ
cord-329318-eo8auo1f	62	13	-	-	HYPH
cord-329318-eo8auo1f	62	14	like	like	JJ
cord-329318-eo8auo1f	62	15	,	,	,
cord-329318-eo8auo1f	62	16	and	and	CC
cord-329318-eo8auo1f	62	17	natural	natural	JJ
cord-329318-eo8auo1f	62	18	compounds	compound	NNS
cord-329318-eo8auo1f	62	19	from	from	IN
cord-329318-eo8auo1f	62	20	traditional	traditional	JJ
cord-329318-eo8auo1f	62	21	Chinese	chinese	JJ
cord-329318-eo8auo1f	62	22	medicines	medicine	NNS
cord-329318-eo8auo1f	62	23	are	be	VBP
cord-329318-eo8auo1f	62	24	analyzed	analyze	VBN
cord-329318-eo8auo1f	62	25	by	by	IN
cord-329318-eo8auo1f	62	26	PCA	PCA	NNP
cord-329318-eo8auo1f	62	27	.	.	.
cord-329318-eo8auo1f	63	1	34	34	CD
cord-329318-eo8auo1f	64	1	The	the	DT
cord-329318-eo8auo1f	64	2	translation	translation	NN
cord-329318-eo8auo1f	64	3	of	of	IN
cord-329318-eo8auo1f	64	4	molecular	molecular	JJ
cord-329318-eo8auo1f	64	5	properties	property	NNS
cord-329318-eo8auo1f	64	6	into	into	IN
cord-329318-eo8auo1f	64	7	a	a	DT
cord-329318-eo8auo1f	64	8	format	format	NN
cord-329318-eo8auo1f	64	9	suitable	suitable	JJ
cord-329318-eo8auo1f	64	10	for	for	IN
cord-329318-eo8auo1f	64	11	ML	ML	NNP
cord-329318-eo8auo1f	64	12	requires	require	VBZ
cord-329318-eo8auo1f	64	13	an	an	DT
cord-329318-eo8auo1f	64	14	appropriate	appropriate	JJ
cord-329318-eo8auo1f	64	15	combination	combination	NN
cord-329318-eo8auo1f	64	16	of	of	IN
cord-329318-eo8auo1f	64	17	structural	structural	JJ
cord-329318-eo8auo1f	64	18	and	and	CC
cord-329318-eo8auo1f	64	19	chemical	chemical	JJ
cord-329318-eo8auo1f	64	20	data	datum	NNS
cord-329318-eo8auo1f	64	21	.	.	.
cord-329318-eo8auo1f	65	1	However	however	RB
cord-329318-eo8auo1f	65	2	,	,	,
cord-329318-eo8auo1f	65	3	while	while	IN
cord-329318-eo8auo1f	65	4	the	the	DT
cord-329318-eo8auo1f	65	5	geometrical	geometrical	JJ
cord-329318-eo8auo1f	65	6	properties	property	NNS
cord-329318-eo8auo1f	65	7	are	be	VBP
cord-329318-eo8auo1f	65	8	well	well	RB
cord-329318-eo8auo1f	65	9	represented	represent	VBN
cord-329318-eo8auo1f	65	10	by	by	IN
cord-329318-eo8auo1f	65	11	molecular	molecular	JJ
cord-329318-eo8auo1f	65	12	fingerprints	fingerprint	NNS
cord-329318-eo8auo1f	65	13	,	,	,
cord-329318-eo8auo1f	65	14	the	the	DT
cord-329318-eo8auo1f	65	15	characterization	characterization	NN
cord-329318-eo8auo1f	65	16	of	of	IN
cord-329318-eo8auo1f	65	17	chemical	chemical	JJ
cord-329318-eo8auo1f	65	18	reactivity	reactivity	NN
cord-329318-eo8auo1f	65	19	is	be	VBZ
cord-329318-eo8auo1f	65	20	a	a	DT
cord-329318-eo8auo1f	65	21	more	more	RBR
cord-329318-eo8auo1f	65	22	challenging	challenging	JJ
cord-329318-eo8auo1f	65	23	task	task	NN
cord-329318-eo8auo1f	65	24	.	.	.
cord-329318-eo8auo1f	66	1	Typically	typically	RB
cord-329318-eo8auo1f	66	2	,	,	,
cord-329318-eo8auo1f	66	3	the	the	DT
cord-329318-eo8auo1f	66	4	number	number	NN
cord-329318-eo8auo1f	66	5	of	of	IN
cord-329318-eo8auo1f	66	6	hydrogen	hydrogen	NN
cord-329318-eo8auo1f	66	7	bond	bond	NN
cord-329318-eo8auo1f	66	8	donors	donor	NNS
cord-329318-eo8auo1f	66	9	or	or	CC
cord-329318-eo8auo1f	66	10	acceptors	acceptor	NNS
cord-329318-eo8auo1f	66	11	,	,	,
cord-329318-eo8auo1f	66	12	functional	functional	JJ
cord-329318-eo8auo1f	66	13	groups	group	NNS
cord-329318-eo8auo1f	66	14	,	,	,
cord-329318-eo8auo1f	66	15	heats	heat	NNS
cord-329318-eo8auo1f	66	16	of	of	IN
cord-329318-eo8auo1f	66	17	formation	formation	NN
cord-329318-eo8auo1f	66	18	,	,	,
cord-329318-eo8auo1f	66	19	polarizabilities	polarizabilitie	NNS
cord-329318-eo8auo1f	66	20	,	,	,
cord-329318-eo8auo1f	66	21	etc	etc	FW
cord-329318-eo8auo1f	66	22	.	.	.
cord-329318-eo8auo1f	67	1	are	be	VBP
cord-329318-eo8auo1f	67	2	used	use	VBN
cord-329318-eo8auo1f	67	3	to	to	TO
cord-329318-eo8auo1f	67	4	represent	represent	VB
cord-329318-eo8auo1f	67	5	the	the	DT
cord-329318-eo8auo1f	67	6	ligand	ligand	NN
cord-329318-eo8auo1f	67	7	's	's	POS
cord-329318-eo8auo1f	67	8	ability	ability	NN
cord-329318-eo8auo1f	67	9	to	to	TO
cord-329318-eo8auo1f	67	10	interact	interact	VB
cord-329318-eo8auo1f	67	11	with	with	IN
cord-329318-eo8auo1f	67	12	a	a	DT
cord-329318-eo8auo1f	67	13	protein	protein	NN
cord-329318-eo8auo1f	67	14	's	's	POS
cord-329318-eo8auo1f	67	15	active	active	JJ
cord-329318-eo8auo1f	67	16	site	site	NN
cord-329318-eo8auo1f	67	17	.	.	.
cord-329318-eo8auo1f	68	1	However	however	RB
cord-329318-eo8auo1f	68	2	,	,	,
cord-329318-eo8auo1f	68	3	in	in	IN
cord-329318-eo8auo1f	68	4	many	many	JJ
cord-329318-eo8auo1f	68	5	cases	case	NNS
cord-329318-eo8auo1f	68	6	,	,	,
cord-329318-eo8auo1f	68	7	the	the	DT
cord-329318-eo8auo1f	68	8	chemical	chemical	NN
cord-329318-eo8auo1f	68	9	reactivity	reactivity	NN
cord-329318-eo8auo1f	68	10	information	information	NN
cord-329318-eo8auo1f	68	11	is	be	VBZ
cord-329318-eo8auo1f	68	12	incomplete	incomplete	JJ
cord-329318-eo8auo1f	68	13	and/or	and/or	CC
cord-329318-eo8auo1f	68	14	overlaps	overlap	VBZ
cord-329318-eo8auo1f	68	15	with	with	IN
cord-329318-eo8auo1f	68	16	the	the	DT
cord-329318-eo8auo1f	68	17	molecular	molecular	JJ
cord-329318-eo8auo1f	68	18	structure	structure	NN
cord-329318-eo8auo1f	68	19	,	,	,
cord-329318-eo8auo1f	68	20	making	make	VBG
cord-329318-eo8auo1f	68	21	it	-PRON-	PRP
cord-329318-eo8auo1f	68	22	insufficient	insufficient	JJ
cord-329318-eo8auo1f	68	23	to	to	TO
cord-329318-eo8auo1f	68	24	thoroughly	thoroughly	RB
cord-329318-eo8auo1f	68	25	represent	represent	VB
cord-329318-eo8auo1f	68	26	the	the	DT
cord-329318-eo8auo1f	68	27	interaction	interaction	NN
cord-329318-eo8auo1f	68	28	.	.	.
cord-329318-eo8auo1f	69	1	27	27	CD
cord-329318-eo8auo1f	70	1	As	as	IN
cord-329318-eo8auo1f	70	2	a	a	DT
cord-329318-eo8auo1f	70	3	possible	possible	JJ
cord-329318-eo8auo1f	70	4	alternative	alternative	NN
cord-329318-eo8auo1f	70	5	to	to	IN
cord-329318-eo8auo1f	70	6	the	the	DT
cord-329318-eo8auo1f	70	7	predictive	predictive	JJ
cord-329318-eo8auo1f	70	8	methods	method	NNS
cord-329318-eo8auo1f	70	9	based	base	VBN
cord-329318-eo8auo1f	70	10	on	on	IN
cord-329318-eo8auo1f	70	11	the	the	DT
cord-329318-eo8auo1f	70	12	group	group	NN
cord-329318-eo8auo1f	70	13	contribution	contribution	NN
cord-329318-eo8auo1f	70	14	approach	approach	NN
cord-329318-eo8auo1f	70	15	,	,	,
cord-329318-eo8auo1f	70	16	the	the	DT
cord-329318-eo8auo1f	70	17	conductor	conductor	NN
cord-329318-eo8auo1f	70	18	-	-	HYPH
cord-329318-eo8auo1f	70	19	like	like	JJ
cord-329318-eo8auo1f	70	20	screening	screening	NN
cord-329318-eo8auo1f	70	21	model	model	NN
cord-329318-eo8auo1f	70	22	for	for	IN
cord-329318-eo8auo1f	70	23	real	real	JJ
cord-329318-eo8auo1f	70	24	solvents	solvent	NNS
cord-329318-eo8auo1f	70	25	(	(	-LRB-
cord-329318-eo8auo1f	70	26	COSMO	COSMO	NNP
cord-329318-eo8auo1f	70	27	-	-	HYPH
cord-329318-eo8auo1f	70	28	RS	RS	NNP
cord-329318-eo8auo1f	70	29	)	)	-RRB-
cord-329318-eo8auo1f	70	30	type	type	NN
cord-329318-eo8auo1f	70	31	models	model	NNS
cord-329318-eo8auo1f	70	32	,	,	,
cord-329318-eo8auo1f	70	33	originally	originally	RB
cord-329318-eo8auo1f	70	34	developed	develop	VBN
cord-329318-eo8auo1f	70	35	by	by	IN
cord-329318-eo8auo1f	70	36	Dr.	Dr.	NNP
cord-329318-eo8auo1f	70	37	A.	A.	NNP
cord-329318-eo8auo1f	70	38	Klamt	Klamt	NNP
cord-329318-eo8auo1f	70	39	,	,	,
cord-329318-eo8auo1f	70	40	35	35	CD
cord-329318-eo8auo1f	70	41	has	have	VBZ
cord-329318-eo8auo1f	70	42	attracted	attract	VBN
cord-329318-eo8auo1f	70	43	substantial	substantial	JJ
cord-329318-eo8auo1f	70	44	interest	interest	NN
cord-329318-eo8auo1f	70	45	in	in	IN
cord-329318-eo8auo1f	70	46	the	the	DT
cord-329318-eo8auo1f	70	47	recent	recent	JJ
cord-329318-eo8auo1f	70	48	years	year	NNS
cord-329318-eo8auo1f	70	49	.	.	.
cord-329318-eo8auo1f	71	1	For	for	IN
cord-329318-eo8auo1f	71	2	the	the	DT
cord-329318-eo8auo1f	71	3	first	first	JJ
cord-329318-eo8auo1f	71	4	time	time	NN
cord-329318-eo8auo1f	71	5	,	,	,
cord-329318-eo8auo1f	71	6	the	the	DT
cord-329318-eo8auo1f	71	7	efficiency	efficiency	NN
cord-329318-eo8auo1f	71	8	of	of	IN
cord-329318-eo8auo1f	71	9	COSMO	COSMO	NNP
cord-329318-eo8auo1f	71	10	-	-	HYPH
cord-329318-eo8auo1f	71	11	RS	RS	NNP
cord-329318-eo8auo1f	71	12	σ	σ	NN
cord-329318-eo8auo1f	71	13	-	-	HYPH
cord-329318-eo8auo1f	71	14	profiles	profile	NNS
cord-329318-eo8auo1f	71	15	for	for	IN
cord-329318-eo8auo1f	71	16	the	the	DT
cord-329318-eo8auo1f	71	17	detection	detection	NN
cord-329318-eo8auo1f	71	18	of	of	IN
cord-329318-eo8auo1f	71	19	new	new	JJ
cord-329318-eo8auo1f	71	20	bioisosteric	bioisosteric	NNP
cord-329318-eo8auo1f	71	21	drug	drug	NN
cord-329318-eo8auo1f	71	22	candidates	candidate	NNS
cord-329318-eo8auo1f	71	23	has	have	VBZ
cord-329318-eo8auo1f	71	24	been	be	VBN
cord-329318-eo8auo1f	71	25	studied	study	VBN
cord-329318-eo8auo1f	71	26	by	by	IN
cord-329318-eo8auo1f	71	27	Thormann	Thormann	NNP
cord-329318-eo8auo1f	71	28	and	and	CC
cord-329318-eo8auo1f	71	29	Klamt	Klamt	NNP
cord-329318-eo8auo1f	71	30	.	.	.
cord-329318-eo8auo1f	72	1	36	36	CD
cord-329318-eo8auo1f	73	1	Our	-PRON-	PRP$
cord-329318-eo8auo1f	73	2	idea	idea	NN
cord-329318-eo8auo1f	73	3	is	be	VBZ
cord-329318-eo8auo1f	73	4	to	to	TO
cord-329318-eo8auo1f	73	5	further	further	RB
cord-329318-eo8auo1f	73	6	combine	combine	VB
cord-329318-eo8auo1f	73	7	the	the	DT
cord-329318-eo8auo1f	73	8	ability	ability	NN
cord-329318-eo8auo1f	73	9	of	of	IN
cord-329318-eo8auo1f	73	10	σ	σ	NN
cord-329318-eo8auo1f	73	11	-	-	HYPH
cord-329318-eo8auo1f	73	12	profiles	profile	NNS
cord-329318-eo8auo1f	73	13	to	to	TO
cord-329318-eo8auo1f	73	14	represent	represent	VB
cord-329318-eo8auo1f	73	15	the	the	DT
cord-329318-eo8auo1f	73	16	chemical	chemical	JJ
cord-329318-eo8auo1f	73	17	potentials	potential	NNS
cord-329318-eo8auo1f	73	18	of	of	IN
cord-329318-eo8auo1f	73	19	different	different	JJ
cord-329318-eo8auo1f	73	20	compounds	compound	NNS
cord-329318-eo8auo1f	73	21	in	in	IN
cord-329318-eo8auo1f	73	22	almost	almost	RB
cord-329318-eo8auo1f	73	23	arbitrary	arbitrary	JJ
cord-329318-eo8auo1f	73	24	phases	phase	NNS
cord-329318-eo8auo1f	73	25	with	with	IN
cord-329318-eo8auo1f	73	26	the	the	DT
cord-329318-eo8auo1f	73	27	strength	strength	NN
cord-329318-eo8auo1f	73	28	of	of	IN
cord-329318-eo8auo1f	73	29	ML	ML	NNP
cord-329318-eo8auo1f	73	30	in	in	IN
cord-329318-eo8auo1f	73	31	order	order	NN
cord-329318-eo8auo1f	73	32	to	to	TO
cord-329318-eo8auo1f	73	33	enhance	enhance	VB
cord-329318-eo8auo1f	73	34	σ	σ	NN
cord-329318-eo8auo1f	73	35	-	-	HYPH
cord-329318-eo8auo1f	73	36	profiles	profile	NNS
cord-329318-eo8auo1f	73	37	'	'	POS
cord-329318-eo8auo1f	73	38	drug	drug	NN
cord-329318-eo8auo1f	73	39	screening	screening	NN
cord-329318-eo8auo1f	73	40	and	and	CC
cord-329318-eo8auo1f	73	41	design	design	NN
cord-329318-eo8auo1f	73	42	capabilities	capability	NNS
cord-329318-eo8auo1f	73	43	.	.	.
cord-329318-eo8auo1f	74	1	The	the	DT
cord-329318-eo8auo1f	74	2	COSMO	COSMO	NNP
cord-329318-eo8auo1f	74	3	-	-	HYPH
cord-329318-eo8auo1f	74	4	RS	RS	NNP
cord-329318-eo8auo1f	74	5	is	be	VBZ
cord-329318-eo8auo1f	74	6	a	a	DT
cord-329318-eo8auo1f	74	7	fast	fast	JJ
cord-329318-eo8auo1f	74	8	and	and	CC
cord-329318-eo8auo1f	74	9	efficient	efficient	JJ
cord-329318-eo8auo1f	74	10	tool	tool	NN
cord-329318-eo8auo1f	74	11	for	for	IN
cord-329318-eo8auo1f	74	12	molecular	molecular	JJ
cord-329318-eo8auo1f	74	13	similarity	similarity	NN
cord-329318-eo8auo1f	74	14	screening	screening	NN
cord-329318-eo8auo1f	74	15	and	and	CC
cord-329318-eo8auo1f	74	16	the	the	DT
cord-329318-eo8auo1f	74	17	study	study	NN
cord-329318-eo8auo1f	74	18	of	of	IN
cord-329318-eo8auo1f	74	19	physicochemical	physicochemical	JJ
cord-329318-eo8auo1f	74	20	and	and	CC
cord-329318-eo8auo1f	74	21	physiological	physiological	JJ
cord-329318-eo8auo1f	74	22	properties	property	NNS
cord-329318-eo8auo1f	74	23	originating	originate	VBG
cord-329318-eo8auo1f	74	24	from	from	IN
cord-329318-eo8auo1f	74	25	solvation	solvation	NN
cord-329318-eo8auo1f	74	26	thermodynamics	thermodynamic	NNS
cord-329318-eo8auo1f	74	27	and	and	CC
cord-329318-eo8auo1f	74	28	computational	computational	JJ
cord-329318-eo8auo1f	74	29	quantum	quantum	NN
cord-329318-eo8auo1f	74	30	mechanics	mechanic	NNS
cord-329318-eo8auo1f	74	31	.	.	.
cord-329318-eo8auo1f	75	1	37	37	CD
cord-329318-eo8auo1f	76	1	These	these	DT
cord-329318-eo8auo1f	76	2	methods	method	NNS
cord-329318-eo8auo1f	76	3	rely	rely	VBP
cord-329318-eo8auo1f	76	4	on	on	IN
cord-329318-eo8auo1f	76	5	solvent	solvent	NN
cord-329318-eo8auo1f	76	6	-	-	HYPH
cord-329318-eo8auo1f	76	7	accessible	accessible	JJ
cord-329318-eo8auo1f	76	8	surfaces	surface	NNS
cord-329318-eo8auo1f	76	9	with	with	IN
cord-329318-eo8auo1f	76	10	induced	induce	VBN
cord-329318-eo8auo1f	76	11	charges	charge	NNS
cord-329318-eo8auo1f	76	12	screening	screen	VBG
cord-329318-eo8auo1f	76	13	the	the	DT
cord-329318-eo8auo1f	76	14	electrostatic	electrostatic	JJ
cord-329318-eo8auo1f	76	15	potential	potential	NN
cord-329318-eo8auo1f	76	16	produced	produce	VBN
cord-329318-eo8auo1f	76	17	by	by	IN
cord-329318-eo8auo1f	76	18	nuclear	nuclear	JJ
cord-329318-eo8auo1f	76	19	charges	charge	NNS
cord-329318-eo8auo1f	76	20	and	and	CC
cord-329318-eo8auo1f	76	21	electronic	electronic	JJ
cord-329318-eo8auo1f	76	22	density	density	NN
cord-329318-eo8auo1f	76	23	.	.	.
cord-329318-eo8auo1f	77	1	The	the	DT
cord-329318-eo8auo1f	77	2	resulting	result	VBG
cord-329318-eo8auo1f	77	3	surfaces	surface	NNS
cord-329318-eo8auo1f	77	4	are	be	VBP
cord-329318-eo8auo1f	77	5	specific	specific	JJ
cord-329318-eo8auo1f	77	6	to	to	IN
cord-329318-eo8auo1f	77	7	each	each	DT
cord-329318-eo8auo1f	77	8	molecule	molecule	NN
cord-329318-eo8auo1f	77	9	and	and	CC
cord-329318-eo8auo1f	77	10	projected	project	VBN
cord-329318-eo8auo1f	77	11	further	far	RBR
cord-329318-eo8auo1f	77	12	to	to	IN
cord-329318-eo8auo1f	77	13	the	the	DT
cord-329318-eo8auo1f	77	14	onedimensional	onedimensional	NNP
cord-329318-eo8auo1f	77	15	(	(	-LRB-
cord-329318-eo8auo1f	77	16	1D	1D	NNP
cord-329318-eo8auo1f	77	17	)	)	-RRB-
cord-329318-eo8auo1f	77	18	function	function	NN
cord-329318-eo8auo1f	77	19	called	call	VBN
cord-329318-eo8auo1f	77	20	the	the	DT
cord-329318-eo8auo1f	77	21	σ	σ	NNP
cord-329318-eo8auo1f	77	22	-	-	HYPH
cord-329318-eo8auo1f	77	23	profile	profile	NN
cord-329318-eo8auo1f	77	24	,	,	,
cord-329318-eo8auo1f	77	25	which	which	WDT
cord-329318-eo8auo1f	77	26	represents	represent	VBZ
cord-329318-eo8auo1f	77	27	the	the	DT
cord-329318-eo8auo1f	77	28	probability	probability	NN
cord-329318-eo8auo1f	77	29	distribution	distribution	NN
cord-329318-eo8auo1f	77	30	of	of	IN
cord-329318-eo8auo1f	77	31	a	a	DT
cord-329318-eo8auo1f	77	32	molecular	molecular	JJ
cord-329318-eo8auo1f	77	33	surface	surface	NN
cord-329318-eo8auo1f	77	34	segment	segment	NN
cord-329318-eo8auo1f	77	35	having	have	VBG
cord-329318-eo8auo1f	77	36	a	a	DT
cord-329318-eo8auo1f	77	37	specific	specific	JJ
cord-329318-eo8auo1f	77	38	charge	charge	NN
cord-329318-eo8auo1f	77	39	density	density	NN
cord-329318-eo8auo1f	77	40	.	.	.
cord-329318-eo8auo1f	78	1	35	35	CD
cord-329318-eo8auo1f	79	1	The	the	DT
cord-329318-eo8auo1f	79	2	COSMO	COSMO	NNP
cord-329318-eo8auo1f	79	3	-	-	HYPH
cord-329318-eo8auo1f	79	4	RS	RS	NNP
cord-329318-eo8auo1f	79	5	σ	σ	NN
cord-329318-eo8auo1f	79	6	-	-	HYPH
cord-329318-eo8auo1f	79	7	profiles	profile	NNS
cord-329318-eo8auo1f	79	8	capture	capture	VBP
cord-329318-eo8auo1f	79	9	in	in	IN
cord-329318-eo8auo1f	79	10	a	a	DT
cord-329318-eo8auo1f	79	11	1D	1d	CD
cord-329318-eo8auo1f	79	12	format	format	NN
cord-329318-eo8auo1f	79	13	the	the	DT
cord-329318-eo8auo1f	79	14	entire	entire	JJ
cord-329318-eo8auo1f	79	15	set	set	NN
cord-329318-eo8auo1f	79	16	of	of	IN
cord-329318-eo8auo1f	79	17	chemical	chemical	JJ
cord-329318-eo8auo1f	79	18	properties	property	NNS
cord-329318-eo8auo1f	79	19	calculated	calculate	VBN
cord-329318-eo8auo1f	79	20	from	from	IN
cord-329318-eo8auo1f	79	21	quantum	quantum	JJ
cord-329318-eo8auo1f	79	22	chemistry	chemistry	NN
cord-329318-eo8auo1f	79	23	,	,	,
cord-329318-eo8auo1f	79	24	including	include	VBG
cord-329318-eo8auo1f	79	25	hydrogen	hydrogen	NN
cord-329318-eo8auo1f	79	26	bond	bond	NN
cord-329318-eo8auo1f	79	27	donor	donor	NN
cord-329318-eo8auo1f	79	28	and	and	CC
cord-329318-eo8auo1f	79	29	acceptor	acceptor	NN
cord-329318-eo8auo1f	79	30	,	,	,
cord-329318-eo8auo1f	79	31	and	and	CC
cord-329318-eo8auo1f	79	32	hydrophobic	hydrophobic	JJ
cord-329318-eo8auo1f	79	33	(	(	-LRB-
cord-329318-eo8auo1f	79	34	lipophilic	lipophilic	JJ
cord-329318-eo8auo1f	79	35	)	)	-RRB-
cord-329318-eo8auo1f	79	36	interactions	interaction	NNS
cord-329318-eo8auo1f	79	37	.	.	.
cord-329318-eo8auo1f	80	1	38	38	CD
cord-329318-eo8auo1f	81	1	The	the	DT
cord-329318-eo8auo1f	81	2	σ	σ	NNP
cord-329318-eo8auo1f	81	3	-	-	HYPH
cord-329318-eo8auo1f	81	4	profiles	profile	NNS
cord-329318-eo8auo1f	81	5	have	have	VBP
cord-329318-eo8auo1f	81	6	been	be	VBN
cord-329318-eo8auo1f	81	7	employed	employ	VBN
cord-329318-eo8auo1f	81	8	to	to	TO
cord-329318-eo8auo1f	81	9	calculate	calculate	VB
cord-329318-eo8auo1f	81	10	phase	phase	NN
cord-329318-eo8auo1f	81	11	diagrams	diagram	NNS
cord-329318-eo8auo1f	81	12	,	,	,
cord-329318-eo8auo1f	81	13	azeotropes	azeotrope	NNS
cord-329318-eo8auo1f	81	14	,	,	,
cord-329318-eo8auo1f	81	15	and	and	CC
cord-329318-eo8auo1f	81	16	the	the	DT
cord-329318-eo8auo1f	81	17	solubility	solubility	NN
cord-329318-eo8auo1f	81	18	of	of	IN
cord-329318-eo8auo1f	81	19	drugs	drug	NNS
cord-329318-eo8auo1f	81	20	and	and	CC
cord-329318-eo8auo1f	81	21	pesticides	pesticide	NNS
cord-329318-eo8auo1f	81	22	in	in	IN
cord-329318-eo8auo1f	81	23	water	water	NN
cord-329318-eo8auo1f	81	24	.	.	.
cord-329318-eo8auo1f	82	1	38	38	CD
cord-329318-eo8auo1f	83	1	The	the	DT
cord-329318-eo8auo1f	83	2	calculation	calculation	NN
cord-329318-eo8auo1f	83	3	of	of	IN
cord-329318-eo8auo1f	83	4	drug	drug	NN
cord-329318-eo8auo1f	83	5	absorption	absorption	NN
cord-329318-eo8auo1f	83	6	,	,	,
cord-329318-eo8auo1f	83	7	distribution	distribution	NN
cord-329318-eo8auo1f	83	8	,	,	,
cord-329318-eo8auo1f	83	9	metabolism	metabolism	NN
cord-329318-eo8auo1f	83	10	,	,	,
cord-329318-eo8auo1f	83	11	and	and	CC
cord-329318-eo8auo1f	83	12	excretion	excretion	NN
cord-329318-eo8auo1f	83	13	properties	property	NNS
cord-329318-eo8auo1f	83	14	has	have	VBZ
cord-329318-eo8auo1f	83	15	been	be	VBN
cord-329318-eo8auo1f	83	16	demonstrated	demonstrate	VBN
cord-329318-eo8auo1f	83	17	for	for	IN
cord-329318-eo8auo1f	83	18	high	high	JJ
cord-329318-eo8auo1f	83	19	-	-	HYPH
cord-329318-eo8auo1f	83	20	throughput	throughput	NN
cord-329318-eo8auo1f	83	21	screening	screening	NN
cord-329318-eo8auo1f	83	22	by	by	IN
cord-329318-eo8auo1f	83	23	using	use	VBG
cord-329318-eo8auo1f	83	24	the	the	DT
cord-329318-eo8auo1f	83	25	molecular	molecular	JJ
cord-329318-eo8auo1f	83	26	fragmentbased	fragmentbased	JJ
cord-329318-eo8auo1f	83	27	approach	approach	NN
cord-329318-eo8auo1f	83	28	COSMOf	COSMOf	NNP
cord-329318-eo8auo1f	83	29	rag	rag	VBP
cord-329318-eo8auo1f	83	30	.	.	.
cord-329318-eo8auo1f	84	1	37	37	CD
cord-329318-eo8auo1f	85	1	Despite	despite	IN
cord-329318-eo8auo1f	85	2	this	this	DT
cord-329318-eo8auo1f	85	3	potential	potential	NN
cord-329318-eo8auo1f	85	4	,	,	,
cord-329318-eo8auo1f	85	5	COSMO	COSMO	NNP
cord-329318-eo8auo1f	85	6	-	-	HYPH
cord-329318-eo8auo1f	85	7	RS	RS	NNP
cord-329318-eo8auo1f	85	8	σ	σ	NN
cord-329318-eo8auo1f	85	9	-	-	HYPH
cord-329318-eo8auo1f	85	10	profiles	profile	NNS
cord-329318-eo8auo1f	85	11	have	have	VBP
cord-329318-eo8auo1f	85	12	rarely	rarely	RB
cord-329318-eo8auo1f	85	13	been	be	VBN
cord-329318-eo8auo1f	85	14	employed	employ	VBN
cord-329318-eo8auo1f	85	15	for	for	IN
cord-329318-eo8auo1f	85	16	drug	drug	NN
cord-329318-eo8auo1f	85	17	similarity	similarity	NN
cord-329318-eo8auo1f	85	18	screening	screening	NN
cord-329318-eo8auo1f	85	19	,	,	,
cord-329318-eo8auo1f	85	20	and	and	CC
cord-329318-eo8auo1f	85	21	not	not	RB
cord-329318-eo8auo1f	85	22	at	at	RB
cord-329318-eo8auo1f	85	23	all	all	RB
cord-329318-eo8auo1f	85	24	for	for	IN
cord-329318-eo8auo1f	85	25	SARS	SARS	NNP
cord-329318-eo8auo1f	85	26	-	-	HYPH
cord-329318-eo8auo1f	85	27	CoV-2	CoV-2	NNP
cord-329318-eo8auo1f	85	28	inhibitor	inhibitor	NN
cord-329318-eo8auo1f	85	29	screening	screening	NN
cord-329318-eo8auo1f	85	30	to	to	IN
cord-329318-eo8auo1f	85	31	date	date	NN
cord-329318-eo8auo1f	85	32	.	.	.
cord-329318-eo8auo1f	86	1	In	in	IN
cord-329318-eo8auo1f	86	2	this	this	DT
cord-329318-eo8auo1f	86	3	study	study	NN
cord-329318-eo8auo1f	86	4	,	,	,
cord-329318-eo8auo1f	86	5	we	-PRON-	PRP
cord-329318-eo8auo1f	86	6	propose	propose	VBP
cord-329318-eo8auo1f	86	7	a	a	DT
cord-329318-eo8auo1f	86	8	novel	novel	JJ
cord-329318-eo8auo1f	86	9	set	set	NN
cord-329318-eo8auo1f	86	10	of	of	IN
cord-329318-eo8auo1f	86	11	drug	drug	NN
cord-329318-eo8auo1f	86	12	screening	screening	NN
cord-329318-eo8auo1f	86	13	descriptors	descriptor	NNS
cord-329318-eo8auo1f	86	14	based	base	VBN
cord-329318-eo8auo1f	86	15	on	on	IN
cord-329318-eo8auo1f	86	16	COSMO	COSMO	NNP
cord-329318-eo8auo1f	86	17	-	-	HYPH
cord-329318-eo8auo1f	86	18	RS	RS	NNP
cord-329318-eo8auo1f	86	19	σ	σ	NN
cord-329318-eo8auo1f	86	20	-	-	HYPH
cord-329318-eo8auo1f	86	21	profiles	profile	NNS
cord-329318-eo8auo1f	86	22	,	,	,
cord-329318-eo8auo1f	86	23	augmented	augment	VBN
cord-329318-eo8auo1f	86	24	by	by	IN
cord-329318-eo8auo1f	86	25	dipole	dipole	JJ
cord-329318-eo8auo1f	86	26	moment	moment	NN
cord-329318-eo8auo1f	86	27	and	and	CC
cord-329318-eo8auo1f	86	28	induced	induce	VBN
cord-329318-eo8auo1f	86	29	charge	charge	NN
cord-329318-eo8auo1f	86	30	of	of	IN
cord-329318-eo8auo1f	86	31	the	the	DT
cord-329318-eo8auo1f	86	32	phosphorus	phosphorus	NN
cord-329318-eo8auo1f	86	33	atom	atom	NN
cord-329318-eo8auo1f	86	34	,	,	,
cord-329318-eo8auo1f	86	35	to	to	TO
cord-329318-eo8auo1f	86	36	evaluate	evaluate	VB
cord-329318-eo8auo1f	86	37	the	the	DT
cord-329318-eo8auo1f	86	38	chemical	chemical	JJ
cord-329318-eo8auo1f	86	39	similarity	similarity	NN
cord-329318-eo8auo1f	86	40	of	of	IN
cord-329318-eo8auo1f	86	41	the	the	DT
cord-329318-eo8auo1f	86	42	drugs	drug	NNS
cord-329318-eo8auo1f	86	43	with	with	IN
cord-329318-eo8auo1f	86	44	nucleotides	nucleotide	NNS
cord-329318-eo8auo1f	86	45	,	,	,
cord-329318-eo8auo1f	86	46	as	as	IN
cord-329318-eo8auo1f	86	47	RNA	RNA	NNP
cord-329318-eo8auo1f	86	48	replication	replication	NN
cord-329318-eo8auo1f	86	49	transcription	transcription	NN
cord-329318-eo8auo1f	86	50	initiation	initiation	NN
cord-329318-eo8auo1f	86	51	activators	activator	NNS
cord-329318-eo8auo1f	86	52	.	.	.
cord-329318-eo8auo1f	87	1	The	the	DT
cord-329318-eo8auo1f	87	2	COSMO	COSMO	NNP
cord-329318-eo8auo1f	87	3	-	-	HYPH
cord-329318-eo8auo1f	87	4	RS	rs	NN
cord-329318-eo8auo1f	87	5	-	-	HYPH
cord-329318-eo8auo1f	87	6	based	base	VBN
cord-329318-eo8auo1f	87	7	descriptors	descriptor	NNS
cord-329318-eo8auo1f	87	8	are	be	VBP
cord-329318-eo8auo1f	87	9	more	more	RBR
cord-329318-eo8auo1f	87	10	suitable	suitable	JJ
cord-329318-eo8auo1f	87	11	for	for	IN
cord-329318-eo8auo1f	87	12	ML	ml	NN
cord-329318-eo8auo1f	87	13	because	because	IN
cord-329318-eo8auo1f	87	14	these	these	DT
cord-329318-eo8auo1f	87	15	effectively	effectively	RB
cord-329318-eo8auo1f	87	16	account	account	VBP
cord-329318-eo8auo1f	87	17	for	for	IN
cord-329318-eo8auo1f	87	18	the	the	DT
cord-329318-eo8auo1f	87	19	chemistry	chemistry	NN
cord-329318-eo8auo1f	87	20	,	,	,
cord-329318-eo8auo1f	87	21	as	as	IN
cord-329318-eo8auo1f	87	22	expressed	express	VBN
cord-329318-eo8auo1f	87	23	by	by	IN
cord-329318-eo8auo1f	87	24	chemical	chemical	NN
cord-329318-eo8auo1f	87	25	thermodynamics	thermodynamic	NNS
cord-329318-eo8auo1f	87	26	and	and	CC
cord-329318-eo8auo1f	87	27	interaction	interaction	NN
cord-329318-eo8auo1f	87	28	preferences	preference	NNS
cord-329318-eo8auo1f	87	29	,	,	,
cord-329318-eo8auo1f	87	30	and	and	CC
cord-329318-eo8auo1f	87	31	are	be	VBP
cord-329318-eo8auo1f	87	32	not	not	RB
cord-329318-eo8auo1f	87	33	strongly	strongly	RB
cord-329318-eo8auo1f	87	34	correlated	correlate	VBN
cord-329318-eo8auo1f	87	35	.	.	.
cord-329318-eo8auo1f	88	1	These	these	DT
cord-329318-eo8auo1f	88	2	advantages	advantage	NNS
cord-329318-eo8auo1f	88	3	are	be	VBP
cord-329318-eo8auo1f	88	4	highlighted	highlight	VBN
cord-329318-eo8auo1f	88	5	in	in	IN
cord-329318-eo8auo1f	88	6	comparison	comparison	NN
cord-329318-eo8auo1f	88	7	with	with	IN
cord-329318-eo8auo1f	88	8	standard	standard	JJ
cord-329318-eo8auo1f	88	9	molecular	molecular	JJ
cord-329318-eo8auo1f	88	10	structure	structure	NN
cord-329318-eo8auo1f	88	11	-	-	HYPH
cord-329318-eo8auo1f	88	12	based	base	VBN
cord-329318-eo8auo1f	88	13	descriptors	descriptor	NNS
cord-329318-eo8auo1f	88	14	.	.	.
cord-329318-eo8auo1f	89	1	We	-PRON-	PRP
cord-329318-eo8auo1f	89	2	illustrate	illustrate	VBP
cord-329318-eo8auo1f	89	3	the	the	DT
cord-329318-eo8auo1f	89	4	proposed	propose	VBN
cord-329318-eo8auo1f	89	5	approach	approach	NN
cord-329318-eo8auo1f	89	6	,	,	,
cord-329318-eo8auo1f	89	7	using	use	VBG
cord-329318-eo8auo1f	89	8	a	a	DT
cord-329318-eo8auo1f	89	9	series	series	NN
cord-329318-eo8auo1f	89	10	of	of	IN
cord-329318-eo8auo1f	89	11	18	18	CD
cord-329318-eo8auo1f	89	12	active	active	JJ
cord-329318-eo8auo1f	89	13	compounds	compound	NNS
cord-329318-eo8auo1f	89	14	of	of	IN
cord-329318-eo8auo1f	89	15	market	market	NN
cord-329318-eo8auo1f	89	16	-	-	HYPH
cord-329318-eo8auo1f	89	17	available	available	JJ
cord-329318-eo8auo1f	89	18	drugs	drug	NNS
cord-329318-eo8auo1f	89	19	built	build	VBN
cord-329318-eo8auo1f	89	20	to	to	TO
cord-329318-eo8auo1f	89	21	mimic	mimic	VB
cord-329318-eo8auo1f	89	22	the	the	DT
cord-329318-eo8auo1f	89	23	chemical	chemical	JJ
cord-329318-eo8auo1f	89	24	structures	structure	NNS
cord-329318-eo8auo1f	89	25	of	of	IN
cord-329318-eo8auo1f	89	26	adenosine	adenosine	NN
cord-329318-eo8auo1f	89	27	,	,	,
cord-329318-eo8auo1f	89	28	guanosine	guanosine	NN
cord-329318-eo8auo1f	89	29	,	,	,
cord-329318-eo8auo1f	89	30	uridine	uridine	NN
cord-329318-eo8auo1f	89	31	,	,	,
cord-329318-eo8auo1f	89	32	and	and	CC
cord-329318-eo8auo1f	89	33	cytidine	cytidine	NNP
cord-329318-eo8auo1f	89	34	monophosphates	monophosphates	NNPS
cord-329318-eo8auo1f	89	35	(	(	-LRB-
cord-329318-eo8auo1f	89	36	AMP	AMP	NNP
cord-329318-eo8auo1f	89	37	,	,	,
cord-329318-eo8auo1f	89	38	GMP	GMP	NNP
cord-329318-eo8auo1f	89	39	,	,	,
cord-329318-eo8auo1f	89	40	UMP	UMP	NNP
cord-329318-eo8auo1f	89	41	,	,	,
cord-329318-eo8auo1f	89	42	and	and	CC
cord-329318-eo8auo1f	89	43	CMP	CMP	NNP
cord-329318-eo8auo1f	89	44	)	)	-RRB-
cord-329318-eo8auo1f	89	45	that	that	WDT
cord-329318-eo8auo1f	89	46	bind	bind	VBP
cord-329318-eo8auo1f	89	47	to	to	IN
cord-329318-eo8auo1f	89	48	messenger	messenger	NNP
cord-329318-eo8auo1f	89	49	RNA	RNA	NNP
cord-329318-eo8auo1f	89	50	(	(	-LRB-
cord-329318-eo8auo1f	89	51	mRNA	mRNA	NNP
cord-329318-eo8auo1f	89	52	)	)	-RRB-
cord-329318-eo8auo1f	89	53	,	,	,
cord-329318-eo8auo1f	89	54	when	when	WRB
cord-329318-eo8auo1f	89	55	catalyzed	catalyze	VBN
cord-329318-eo8auo1f	89	56	in	in	IN
cord-329318-eo8auo1f	89	57	the	the	DT
cord-329318-eo8auo1f	89	58	central	central	JJ
cord-329318-eo8auo1f	89	59	region	region	NN
cord-329318-eo8auo1f	89	60	of	of	IN
cord-329318-eo8auo1f	89	61	RdRp	RdRp	NNP
cord-329318-eo8auo1f	89	62	.	.	.
cord-329318-eo8auo1f	90	1	The	the	DT
cord-329318-eo8auo1f	90	2	drug	drug	NN
cord-329318-eo8auo1f	90	3	series	series	NN
cord-329318-eo8auo1f	90	4	includes	include	VBZ
cord-329318-eo8auo1f	90	5	the	the	DT
cord-329318-eo8auo1f	90	6	pyrimidine	pyrimidine	NNP
cord-329318-eo8auo1f	90	7	and	and	CC
cord-329318-eo8auo1f	90	8	purine	purine	NN
cord-329318-eo8auo1f	90	9	nucleoside	nucleoside	NN
cord-329318-eo8auo1f	90	10	monophosphate	monophosphate	VBD
cord-329318-eo8auo1f	90	11	analogues	analogue	NNS
cord-329318-eo8auo1f	90	12	in	in	IN
cord-329318-eo8auo1f	90	13	the	the	DT
cord-329318-eo8auo1f	90	14	form	form	NN
cord-329318-eo8auo1f	90	15	that	that	WDT
cord-329318-eo8auo1f	90	16	inhibits	inhibit	VBZ
cord-329318-eo8auo1f	90	17	mRNA	mrna	NN
cord-329318-eo8auo1f	90	18	replication	replication	NN
cord-329318-eo8auo1f	90	19	from	from	IN
cord-329318-eo8auo1f	90	20	pubchem.ncbi.nlm.nih.gov	pubchem.ncbi.nlm.nih.gov	NNP
cord-329318-eo8auo1f	90	21	and	and	CC
cord-329318-eo8auo1f	90	22	recent	recent	JJ
cord-329318-eo8auo1f	90	23	publications	publication	NNS
cord-329318-eo8auo1f	90	24	(	(	-LRB-
cord-329318-eo8auo1f	90	25	Supporting	support	VBG
cord-329318-eo8auo1f	90	26	Information	Information	NNP
cord-329318-eo8auo1f	90	27	Table	Table	NNP
cord-329318-eo8auo1f	90	28	S1	S1	NNP
cord-329318-eo8auo1f	90	29	)	)	-RRB-
cord-329318-eo8auo1f	90	30	.	.	.
cord-329318-eo8auo1f	91	1	The	the	DT
cord-329318-eo8auo1f	91	2	64	64	CD
cord-329318-eo8auo1f	91	3	most	most	RBS
cord-329318-eo8auo1f	91	4	stable	stable	JJ
cord-329318-eo8auo1f	91	5	conformations	conformation	NNS
cord-329318-eo8auo1f	91	6	of	of	IN
cord-329318-eo8auo1f	91	7	these	these	DT
cord-329318-eo8auo1f	91	8	drugs	drug	NNS
cord-329318-eo8auo1f	91	9	and	and	CC
cord-329318-eo8auo1f	91	10	nucleotides	nucleotide	NNS
cord-329318-eo8auo1f	91	11	are	be	VBP
cord-329318-eo8auo1f	91	12	determined	determine	VBN
cord-329318-eo8auo1f	91	13	using	use	VBG
cord-329318-eo8auo1f	91	14	BIOVIA	BIOVIA	NNP
cord-329318-eo8auo1f	91	15	Discovery	Discovery	NNP
cord-329318-eo8auo1f	91	16	Studio	Studio	NNP
cord-329318-eo8auo1f	91	17	2020	2020	CD
cord-329318-eo8auo1f	91	18	.	.	.
cord-329318-eo8auo1f	92	1	25	25	CD
cord-329318-eo8auo1f	93	1	The	the	DT
cord-329318-eo8auo1f	93	2	geometries	geometry	NNS
cord-329318-eo8auo1f	93	3	of	of	IN
cord-329318-eo8auo1f	93	4	these	these	DT
cord-329318-eo8auo1f	93	5	conformations	conformation	NNS
cord-329318-eo8auo1f	93	6	,	,	,
cord-329318-eo8auo1f	93	7	generated	generate	VBN
cord-329318-eo8auo1f	93	8	using	use	VBG
cord-329318-eo8auo1f	93	9	the	the	DT
cord-329318-eo8auo1f	93	10	Discovery	Discovery	NNP
cord-329318-eo8auo1f	93	11	Studio	Studio	NNP
cord-329318-eo8auo1f	93	12	2020	2020	CD
cord-329318-eo8auo1f	93	13	Visualizer	Visualizer	NNP
cord-329318-eo8auo1f	93	14	,	,	,
cord-329318-eo8auo1f	93	15	are	be	VBP
cord-329318-eo8auo1f	93	16	optimized	optimize	VBN
cord-329318-eo8auo1f	93	17	using	use	VBG
cord-329318-eo8auo1f	93	18	Becke	Becke	NNP
cord-329318-eo8auo1f	93	19	's	's	POS
cord-329318-eo8auo1f	93	20	three	three	CD
cord-329318-eo8auo1f	93	21	-	-	HYPH
cord-329318-eo8auo1f	93	22	parameter	parameter	NN
cord-329318-eo8auo1f	93	23	hybrid	hybrid	NN
cord-329318-eo8auo1f	93	24	functional	functional	NN
cord-329318-eo8auo1f	93	25	with	with	IN
cord-329318-eo8auo1f	93	26	the	the	DT
cord-329318-eo8auo1f	93	27	local	local	JJ
cord-329318-eo8auo1f	93	28	term	term	NN
cord-329318-eo8auo1f	93	29	of	of	IN
cord-329318-eo8auo1f	93	30	Lee	Lee	NNP
cord-329318-eo8auo1f	93	31	,	,	,
cord-329318-eo8auo1f	93	32	Yang	Yang	NNP
cord-329318-eo8auo1f	93	33	,	,	,
cord-329318-eo8auo1f	93	34	and	and	CC
cord-329318-eo8auo1f	93	35	Parr	Parr	NNP
cord-329318-eo8auo1f	93	36	(	(	-LRB-
cord-329318-eo8auo1f	93	37	B3LYP	B3LYP	NNP
cord-329318-eo8auo1f	93	38	)	)	-RRB-
cord-329318-eo8auo1f	93	39	,	,	,
cord-329318-eo8auo1f	93	40	39	39	CD
cord-329318-eo8auo1f	93	41	and	and	CC
cord-329318-eo8auo1f	93	42	double	double	JJ
cord-329318-eo8auo1f	93	43	-	-	HYPH
cord-329318-eo8auo1f	93	44	numerical	numerical	JJ
cord-329318-eo8auo1f	93	45	basis	basis	NN
cord-329318-eo8auo1f	93	46	set	set	VBN
cord-329318-eo8auo1f	93	47	with	with	IN
cord-329318-eo8auo1f	93	48	polarization	polarization	NN
cord-329318-eo8auo1f	93	49	functions	function	NNS
cord-329318-eo8auo1f	93	50	on	on	IN
cord-329318-eo8auo1f	93	51	H	h	NN
cord-329318-eo8auo1f	93	52	atoms	atom	NNS
cord-329318-eo8auo1f	93	53	(	(	-LRB-
cord-329318-eo8auo1f	93	54	DNP	DNP	NNP
cord-329318-eo8auo1f	93	55	)	)	-RRB-
cord-329318-eo8auo1f	93	56	40	40	CD
cord-329318-eo8auo1f	93	57	in	in	IN
cord-329318-eo8auo1f	93	58	DMol	dmol	CD
cord-329318-eo8auo1f	93	59	3	3	CD
cord-329318-eo8auo1f	93	60	.	.	.
cord-329318-eo8auo1f	94	1	The	the	DT
cord-329318-eo8auo1f	94	2	COSMO	COSMO	NNP
cord-329318-eo8auo1f	94	3	-	-	HYPH
cord-329318-eo8auo1f	94	4	RS	RS	NNP
cord-329318-eo8auo1f	94	5	calculations	calculation	NNS
cord-329318-eo8auo1f	94	6	,	,	,
cord-329318-eo8auo1f	94	7	35	35	CD
cord-329318-eo8auo1f	94	8	,	,	,
cord-329318-eo8auo1f	94	9	41	41	CD
cord-329318-eo8auo1f	94	10	parametrized	parametrize	VBN
cord-329318-eo8auo1f	94	11	to	to	IN
cord-329318-eo8auo1f	94	12	optimally	optimally	RB
cord-329318-eo8auo1f	94	13	The	the	DT
cord-329318-eo8auo1f	94	14	Journal	Journal	NNP
cord-329318-eo8auo1f	94	15	of	of	IN
cord-329318-eo8auo1f	94	16	Physical	Physical	NNP
cord-329318-eo8auo1f	94	17	Chemistry	Chemistry	NNP
cord-329318-eo8auo1f	94	18	Letters	Letters	NNPS
cord-329318-eo8auo1f	94	19	pubs.acs.org/JPCL	pubs.acs.org/JPCL	NNP
cord-329318-eo8auo1f	94	20	Letter	Letter	NNP
cord-329318-eo8auo1f	94	21	reproduce	reproduce	VB
cord-329318-eo8auo1f	94	22	thermodynamic	thermodynamic	JJ
cord-329318-eo8auo1f	94	23	properties	property	NNS
cord-329318-eo8auo1f	94	24	,	,	,
cord-329318-eo8auo1f	94	25	42	42	CD
cord-329318-eo8auo1f	94	26	are	be	VBP
cord-329318-eo8auo1f	94	27	conducted	conduct	VBN
cord-329318-eo8auo1f	94	28	by	by	IN
cord-329318-eo8auo1f	94	29	using	use	VBG
cord-329318-eo8auo1f	94	30	DMol	DMol	NNP
cord-329318-eo8auo1f	94	31	3	3	CD
cord-329318-eo8auo1f	94	32	,	,	,
cord-329318-eo8auo1f	94	33	as	as	IN
cord-329318-eo8auo1f	94	34	implemented	implement	VBN
cord-329318-eo8auo1f	94	35	in	in	IN
cord-329318-eo8auo1f	94	36	BIOVIA	BIOVIA	NNP
cord-329318-eo8auo1f	94	37	Discovery	Discovery	NNP
cord-329318-eo8auo1f	94	38	Studio	Studio	NNP
cord-329318-eo8auo1f	94	39	2020	2020	CD
cord-329318-eo8auo1f	94	40	.	.	.
cord-329318-eo8auo1f	95	1	25	25	CD
cord-329318-eo8auo1f	96	1	To	to	TO
cord-329318-eo8auo1f	96	2	identify	identify	VB
cord-329318-eo8auo1f	96	3	the	the	DT
cord-329318-eo8auo1f	96	4	most	most	RBS
cord-329318-eo8auo1f	96	5	important	important	JJ
cord-329318-eo8auo1f	96	6	hydrogen	hydrogen	NN
cord-329318-eo8auo1f	96	7	bond	bond	NN
cord-329318-eo8auo1f	96	8	donor	donor	NN
cord-329318-eo8auo1f	96	9	and	and	CC
cord-329318-eo8auo1f	96	10	acceptor	acceptor	NN
cord-329318-eo8auo1f	96	11	regions	region	NNS
cord-329318-eo8auo1f	96	12	in	in	IN
cord-329318-eo8auo1f	96	13	the	the	DT
cord-329318-eo8auo1f	96	14	σ	σ	NNP
cord-329318-eo8auo1f	96	15	-	-	HYPH
cord-329318-eo8auo1f	96	16	profile	profile	NN
cord-329318-eo8auo1f	96	17	,	,	,
cord-329318-eo8auo1f	96	18	the	the	DT
cord-329318-eo8auo1f	96	19	geometry	geometry	NN
cord-329318-eo8auo1f	96	20	optimization	optimization	NN
cord-329318-eo8auo1f	96	21	of	of	IN
cord-329318-eo8auo1f	96	22	remdesivir	remdesivir	FW
cord-329318-eo8auo1f	96	23	monophosphate	monophosphate	NN
cord-329318-eo8auo1f	96	24	interacting	interact	VBG
cord-329318-eo8auo1f	96	25	with	with	IN
cord-329318-eo8auo1f	96	26	RdRp	RdRp	NNP
cord-329318-eo8auo1f	96	27	(	(	-LRB-
cord-329318-eo8auo1f	96	28	PDB	PDB	NNP
cord-329318-eo8auo1f	96	29	ID	ID	NNP
cord-329318-eo8auo1f	96	30	:	:	:
cord-329318-eo8auo1f	96	31	7BV2	7bv2	CD
cord-329318-eo8auo1f	96	32	)	)	-RRB-
cord-329318-eo8auo1f	96	33	is	be	VBZ
cord-329318-eo8auo1f	96	34	conducted	conduct	VBN
cord-329318-eo8auo1f	96	35	using	use	VBG
cord-329318-eo8auo1f	96	36	quantum	quantum	NN
cord-329318-eo8auo1f	96	37	mechanics	mechanic	NNS
cord-329318-eo8auo1f	96	38	/	/	SYM
cord-329318-eo8auo1f	96	39	molecular	molecular	JJ
cord-329318-eo8auo1f	96	40	mechanics	mechanic	NNS
cord-329318-eo8auo1f	96	41	(	(	-LRB-
cord-329318-eo8auo1f	96	42	QM	QM	NNP
cord-329318-eo8auo1f	96	43	/	/	SYM
cord-329318-eo8auo1f	96	44	MM	MM	NNP
cord-329318-eo8auo1f	96	45	)	)	-RRB-
cord-329318-eo8auo1f	96	46	,	,	,
cord-329318-eo8auo1f	96	47	as	as	IN
cord-329318-eo8auo1f	96	48	implemented	implement	VBN
cord-329318-eo8auo1f	96	49	in	in	IN
cord-329318-eo8auo1f	96	50	DMol	dmol	CD
cord-329318-eo8auo1f	96	51	3	3	CD
cord-329318-eo8auo1f	96	52	in	in	IN
cord-329318-eo8auo1f	96	53	BIOVIA	BIOVIA	NNP
cord-329318-eo8auo1f	96	54	Discovery	Discovery	NNP
cord-329318-eo8auo1f	96	55	Studio	Studio	NNP
cord-329318-eo8auo1f	96	56	2020	2020	CD
cord-329318-eo8auo1f	96	57	.	.	.
cord-329318-eo8auo1f	97	1	The	the	DT
cord-329318-eo8auo1f	97	2	B3LYP	B3LYP	NNP
cord-329318-eo8auo1f	97	3	/	/	SYM
cord-329318-eo8auo1f	97	4	DNP	DNP	NNP
cord-329318-eo8auo1f	97	5	39,40	39,40	CD
cord-329318-eo8auo1f	97	6	approach	approach	NN
cord-329318-eo8auo1f	97	7	and	and	CC
cord-329318-eo8auo1f	97	8	CHARMm36	CHARMm36	NNP
cord-329318-eo8auo1f	97	9	force	force	NN
cord-329318-eo8auo1f	97	10	field	field	NN
cord-329318-eo8auo1f	97	11	with	with	IN
cord-329318-eo8auo1f	97	12	Momany	Momany	NNP
cord-329318-eo8auo1f	97	13	-	-	HYPH
cord-329318-eo8auo1f	97	14	Rone	Rone	NNP
cord-329318-eo8auo1f	97	15	charges	charge	VBZ
cord-329318-eo8auo1f	97	16	43	43	CD
cord-329318-eo8auo1f	97	17	are	be	VBP
cord-329318-eo8auo1f	97	18	applied	apply	VBN
cord-329318-eo8auo1f	97	19	for	for	IN
cord-329318-eo8auo1f	97	20	the	the	DT
cord-329318-eo8auo1f	97	21	QM	QM	NNP
cord-329318-eo8auo1f	97	22	(	(	-LRB-
cord-329318-eo8auo1f	97	23	F86101	F86101	NNP
cord-329318-eo8auo1f	97	24	,	,	,
cord-329318-eo8auo1f	97	25	ALA688	ALA688	NNP
cord-329318-eo8auo1f	97	26	,	,	,
cord-329318-eo8auo1f	97	27	U20	U20	NNP
cord-329318-eo8auo1f	97	28	,	,	,
cord-329318-eo8auo1f	97	29	U10	U10	NNP
cord-329318-eo8auo1f	97	30	,	,	,
cord-329318-eo8auo1f	97	31	A11	A11	NNP
cord-329318-eo8auo1f	97	32	)	)	-RRB-
cord-329318-eo8auo1f	97	33	and	and	CC
cord-329318-eo8auo1f	97	34	MM	MM	NNP
cord-329318-eo8auo1f	97	35	system	system	NN
cord-329318-eo8auo1f	97	36	(	(	-LRB-
cord-329318-eo8auo1f	97	37	remaining	remain	VBG
cord-329318-eo8auo1f	97	38	)	)	-RRB-
cord-329318-eo8auo1f	97	39	,	,	,
cord-329318-eo8auo1f	97	40	respectively	respectively	RB
cord-329318-eo8auo1f	97	41	.	.	.
cord-329318-eo8auo1f	98	1	The	the	DT
cord-329318-eo8auo1f	98	2	QM	QM	NNP
cord-329318-eo8auo1f	98	3	/	/	SYM
cord-329318-eo8auo1f	98	4	MM	MM	NNP
cord-329318-eo8auo1f	98	5	interactions	interaction	NNS
cord-329318-eo8auo1f	98	6	are	be	VBP
cord-329318-eo8auo1f	98	7	treated	treat	VBN
cord-329318-eo8auo1f	98	8	using	use	VBG
cord-329318-eo8auo1f	98	9	electronic	electronic	JJ
cord-329318-eo8auo1f	98	10	embedding	embedding	NN
cord-329318-eo8auo1f	98	11	with	with	IN
cord-329318-eo8auo1f	98	12	dispersed	disperse	VBN
cord-329318-eo8auo1f	98	13	boundary	boundary	JJ
cord-329318-eo8auo1f	98	14	charges	charge	NNS
cord-329318-eo8auo1f	98	15	.	.	.
cord-329318-eo8auo1f	99	1	The	the	DT
cord-329318-eo8auo1f	99	2	molecular	molecular	JJ
cord-329318-eo8auo1f	99	3	docking	docking	NN
cord-329318-eo8auo1f	99	4	analysis	analysis	NN
cord-329318-eo8auo1f	99	5	is	be	VBZ
cord-329318-eo8auo1f	99	6	conducted	conduct	VBN
cord-329318-eo8auo1f	99	7	using	use	VBG
cord-329318-eo8auo1f	99	8	the	the	DT
cord-329318-eo8auo1f	99	9	site	site	NN
cord-329318-eo8auo1f	99	10	-	-	HYPH
cord-329318-eo8auo1f	99	11	features	features	NN
cord-329318-eo8auo1f	99	12	docking	docking	NN
cord-329318-eo8auo1f	99	13	algorithm	algorithm	NN
cord-329318-eo8auo1f	99	14	LibDock	LibDock	NNP
cord-329318-eo8auo1f	99	15	44	44	CD
cord-329318-eo8auo1f	99	16	implemented	implement	VBD
cord-329318-eo8auo1f	99	17	in	in	IN
cord-329318-eo8auo1f	99	18	BIOVIA	BIOVIA	NNP
cord-329318-eo8auo1f	99	19	Discovery	Discovery	NNP
cord-329318-eo8auo1f	99	20	Studio	Studio	NNP
cord-329318-eo8auo1f	99	21	2020	2020	CD
cord-329318-eo8auo1f	99	22	.	.	.
cord-329318-eo8auo1f	100	1	In	in	IN
cord-329318-eo8auo1f	100	2	Figure	figure	NN
cord-329318-eo8auo1f	100	3	1a	1a	CD
cord-329318-eo8auo1f	100	4	,	,	,
cord-329318-eo8auo1f	100	5	we	-PRON-	PRP
cord-329318-eo8auo1f	100	6	present	present	VBP
cord-329318-eo8auo1f	100	7	the	the	DT
cord-329318-eo8auo1f	100	8	QM	QM	NNP
cord-329318-eo8auo1f	100	9	/	/	SYM
cord-329318-eo8auo1f	100	10	MM	MM	NNP
cord-329318-eo8auo1f	100	11	optimized	optimize	VBN
cord-329318-eo8auo1f	100	12	model	model	NN
cord-329318-eo8auo1f	100	13	system	system	NN
cord-329318-eo8auo1f	100	14	of	of	IN
cord-329318-eo8auo1f	100	15	the	the	DT
cord-329318-eo8auo1f	100	16	leading	lead	VBG
cord-329318-eo8auo1f	100	17	drug	drug	NN
cord-329318-eo8auo1f	100	18	remdesivir	remdesivir	NNS
cord-329318-eo8auo1f	100	19	in	in	IN
cord-329318-eo8auo1f	100	20	its	-PRON-	PRP$
cord-329318-eo8auo1f	100	21	monophosphate	monophosphate	NN
cord-329318-eo8auo1f	100	22	form	form	NN
cord-329318-eo8auo1f	100	23	integrated	integrate	VBN
cord-329318-eo8auo1f	100	24	into	into	IN
cord-329318-eo8auo1f	100	25	the	the	DT
cord-329318-eo8auo1f	100	26	primer	primer	NN
cord-329318-eo8auo1f	100	27	strand	strand	NN
cord-329318-eo8auo1f	100	28	mRNA	mrna	NN
cord-329318-eo8auo1f	100	29	interacting	interact	VBG
cord-329318-eo8auo1f	100	30	with	with	IN
cord-329318-eo8auo1f	100	31	RdRp	RdRp	NNP
cord-329318-eo8auo1f	101	1	(	(	-LRB-
cord-329318-eo8auo1f	101	2	Protein	Protein	NNP
cord-329318-eo8auo1f	101	3	Data	Data	NNP
cord-329318-eo8auo1f	101	4	Bank	Bank	NNP
cord-329318-eo8auo1f	101	5	entry	entry	NN
cord-329318-eo8auo1f	101	6	7BV2	7bv2	CD
cord-329318-eo8auo1f	101	7	)	)	-RRB-
cord-329318-eo8auo1f	101	8	.	.	.
cord-329318-eo8auo1f	102	1	7	7	CD
cord-329318-eo8auo1f	103	1	The	the	DT
cord-329318-eo8auo1f	103	2	hydrogen	hydrogen	NN
cord-329318-eo8auo1f	103	3	bonding	bonding	NN
cord-329318-eo8auo1f	103	4	network	network	NN
cord-329318-eo8auo1f	103	5	with	with	IN
cord-329318-eo8auo1f	103	6	the	the	DT
cord-329318-eo8auo1f	103	7	target	target	NN
cord-329318-eo8auo1f	103	8	U10	U10	NNP
cord-329318-eo8auo1f	103	9	is	be	VBZ
cord-329318-eo8auo1f	103	10	shown	show	VBN
cord-329318-eo8auo1f	103	11	in	in	IN
cord-329318-eo8auo1f	103	12	dashed	dash	VBN
cord-329318-eo8auo1f	103	13	green	green	JJ
cord-329318-eo8auo1f	103	14	lines	line	NNS
cord-329318-eo8auo1f	103	15	pointing	point	VBG
cord-329318-eo8auo1f	103	16	up	up	RP
cord-329318-eo8auo1f	103	17	from	from	IN
cord-329318-eo8auo1f	103	18	the	the	DT
cord-329318-eo8auo1f	103	19	remdesivir	remdesivir	NNP
cord-329318-eo8auo1f	103	20	monophosphate	monophosphate	NN
cord-329318-eo8auo1f	103	21	molecule	molecule	NN
cord-329318-eo8auo1f	103	22	and	and	CC
cord-329318-eo8auo1f	103	23	with	with	IN
cord-329318-eo8auo1f	103	24	the	the	DT
cord-329318-eo8auo1f	103	25	pattern	pattern	NN
cord-329318-eo8auo1f	103	26	U20	U20	NNP
cord-329318-eo8auo1f	103	27	pointing	point	VBG
cord-329318-eo8auo1f	103	28	down	down	RP
cord-329318-eo8auo1f	103	29	from	from	IN
cord-329318-eo8auo1f	103	30	the	the	DT
cord-329318-eo8auo1f	103	31	remdesivir	remdesivir	NNP
cord-329318-eo8auo1f	103	32	monophosphate	monophosphate	NN
cord-329318-eo8auo1f	103	33	molecule	molecule	NN
cord-329318-eo8auo1f	103	34	.	.	.
cord-329318-eo8auo1f	104	1	The	the	DT
cord-329318-eo8auo1f	104	2	remdesivir	remdesivir	JJ
cord-329318-eo8auo1f	104	3	monophosphate	monophosphate	NN
cord-329318-eo8auo1f	104	4	-	-	HYPH
cord-329318-eo8auo1f	104	5	RdRp	rdrp	NN
cord-329318-eo8auo1f	104	6	interactions	interaction	NNS
cord-329318-eo8auo1f	104	7	also	also	RB
cord-329318-eo8auo1f	104	8	include	include	VBP
cord-329318-eo8auo1f	104	9	attractive	attractive	JJ
cord-329318-eo8auo1f	104	10	van	van	NNP
cord-329318-eo8auo1f	104	11	der	der	NNP
cord-329318-eo8auo1f	104	12	Waals	Waals	NNP
cord-329318-eo8auo1f	104	13	,	,	,
cord-329318-eo8auo1f	104	14	π−	π−	NNP
cord-329318-eo8auo1f	104	15	cation	cation	NN
cord-329318-eo8auo1f	104	16	,	,	,
cord-329318-eo8auo1f	104	17	π−π	π−π	NNP
cord-329318-eo8auo1f	104	18	stacking	stacking	NN
cord-329318-eo8auo1f	104	19	,	,	,
cord-329318-eo8auo1f	104	20	π−alkyl	π−alkyl	XX
cord-329318-eo8auo1f	104	21	,	,	,
cord-329318-eo8auo1f	104	22	and	and	CC
cord-329318-eo8auo1f	104	23	covalent	covalent	JJ
cord-329318-eo8auo1f	104	24	as	as	RB
cord-329318-eo8auo1f	104	25	well	well	RB
cord-329318-eo8auo1f	104	26	as	as	IN
cord-329318-eo8auo1f	104	27	repulsive	repulsive	JJ
cord-329318-eo8auo1f	104	28	electrostatic	electrostatic	JJ
cord-329318-eo8auo1f	104	29	interactions	interaction	NNS
cord-329318-eo8auo1f	104	30	with	with	IN
cord-329318-eo8auo1f	104	31	RdRp	RdRp	NNP
cord-329318-eo8auo1f	104	32	functional	functional	JJ
cord-329318-eo8auo1f	104	33	groups	group	NNS
cord-329318-eo8auo1f	104	34	,	,	,
cord-329318-eo8auo1f	104	35	as	as	IN
cord-329318-eo8auo1f	104	36	shown	show	VBN
cord-329318-eo8auo1f	104	37	in	in	IN
cord-329318-eo8auo1f	104	38	Figure	figure	NN
cord-329318-eo8auo1f	104	39	1b	1b	CD
cord-329318-eo8auo1f	105	1	The	the	DT
cord-329318-eo8auo1f	105	2	Journal	Journal	NNP
cord-329318-eo8auo1f	105	3	of	of	IN
cord-329318-eo8auo1f	105	4	Physical	Physical	NNP
cord-329318-eo8auo1f	105	5	Chemistry	Chemistry	NNP
cord-329318-eo8auo1f	105	6	Letters	Letters	NNPS
cord-329318-eo8auo1f	105	7	pubs.acs.org/JPCL	pubs.acs.org/JPCL	NNP
cord-329318-eo8auo1f	105	8	Letter	Letter	NNP
cord-329318-eo8auo1f	105	9	atom	atom	NN
cord-329318-eo8auo1f	105	10	is	be	VBZ
cord-329318-eo8auo1f	105	11	selected	select	VBN
cord-329318-eo8auo1f	105	12	as	as	IN
cord-329318-eo8auo1f	105	13	a	a	DT
cord-329318-eo8auo1f	105	14	precursor	precursor	NN
cord-329318-eo8auo1f	105	15	of	of	IN
cord-329318-eo8auo1f	105	16	the	the	DT
cord-329318-eo8auo1f	105	17	chemical	chemical	JJ
cord-329318-eo8auo1f	105	18	activity	activity	NN
cord-329318-eo8auo1f	105	19	of	of	IN
cord-329318-eo8auo1f	105	20	the	the	DT
cord-329318-eo8auo1f	105	21	phosphate	phosphate	NN
cord-329318-eo8auo1f	105	22	group	group	NN
cord-329318-eo8auo1f	105	23	toward	toward	IN
cord-329318-eo8auo1f	105	24	covalent	covalent	JJ
cord-329318-eo8auo1f	105	25	bonding	bonding	NN
cord-329318-eo8auo1f	105	26	to	to	IN
cord-329318-eo8auo1f	105	27	mRNA	mRNA	NNP
cord-329318-eo8auo1f	105	28	.	.	.
cord-329318-eo8auo1f	106	1	The	the	DT
cord-329318-eo8auo1f	106	2	performance	performance	NN
cord-329318-eo8auo1f	106	3	of	of	IN
cord-329318-eo8auo1f	106	4	the	the	DT
cord-329318-eo8auo1f	106	5	descriptor	descriptor	NN
cord-329318-eo8auo1f	106	6	set	set	VBN
cord-329318-eo8auo1f	106	7	I	-PRON-	PRP
cord-329318-eo8auo1f	106	8	,	,	,
cord-329318-eo8auo1f	106	9	made	make	VBN
cord-329318-eo8auo1f	106	10	up	up	RP
cord-329318-eo8auo1f	106	11	of	of	IN
cord-329318-eo8auo1f	106	12	eight	eight	CD
cord-329318-eo8auo1f	106	13	descriptors	descriptor	NNS
cord-329318-eo8auo1f	106	14	,	,	,
cord-329318-eo8auo1f	106	15	is	be	VBZ
cord-329318-eo8auo1f	106	16	compared	compare	VBN
cord-329318-eo8auo1f	106	17	to	to	IN
cord-329318-eo8auo1f	106	18	descriptor	descriptor	NN
cord-329318-eo8auo1f	106	19	set	set	VBN
cord-329318-eo8auo1f	106	20	II	II	NNP
cord-329318-eo8auo1f	106	21	,	,	,
cord-329318-eo8auo1f	106	22	made	make	VBN
cord-329318-eo8auo1f	106	23	up	up	RP
cord-329318-eo8auo1f	106	24	of	of	IN
cord-329318-eo8auo1f	106	25	all	all	DT
cord-329318-eo8auo1f	106	26	ten	ten	CD
cord-329318-eo8auo1f	106	27	drug	drug	NN
cord-329318-eo8auo1f	106	28	screening	screening	NN
cord-329318-eo8auo1f	106	29	descriptors	descriptor	NNS
cord-329318-eo8auo1f	106	30	(	(	-LRB-
cord-329318-eo8auo1f	106	31	nine	nine	CD
cord-329318-eo8auo1f	106	32	for	for	IN
cord-329318-eo8auo1f	106	33	molecular	molecular	JJ
cord-329318-eo8auo1f	106	34	structure	structure	NN
cord-329318-eo8auo1f	106	35	and	and	CC
cord-329318-eo8auo1f	106	36	one	one	CD
cord-329318-eo8auo1f	106	37	for	for	IN
cord-329318-eo8auo1f	106	38	hydrophobicity	hydrophobicity	NN
cord-329318-eo8auo1f	106	39	,	,	,
cord-329318-eo8auo1f	106	40	listed	list	VBN
cord-329318-eo8auo1f	106	41	in	in	IN
cord-329318-eo8auo1f	106	42	Table	Table	NNP
cord-329318-eo8auo1f	106	43	2	2	CD
cord-329318-eo8auo1f	106	44	)	)	-RRB-
cord-329318-eo8auo1f	106	45	implemented	implement	VBN
cord-329318-eo8auo1f	106	46	in	in	IN
cord-329318-eo8auo1f	106	47	BIOVIA	BIOVIA	NNP
cord-329318-eo8auo1f	106	48	Discovery	Discovery	NNP
cord-329318-eo8auo1f	106	49	Studio	Studio	NNP
cord-329318-eo8auo1f	106	50	2020	2020	CD
cord-329318-eo8auo1f	106	51	.	.	.
cord-329318-eo8auo1f	107	1	To	to	TO
cord-329318-eo8auo1f	107	2	select	select	VB
cord-329318-eo8auo1f	107	3	the	the	DT
cord-329318-eo8auo1f	107	4	most	most	RBS
cord-329318-eo8auo1f	107	5	important	important	JJ
cord-329318-eo8auo1f	107	6	combinations	combination	NNS
cord-329318-eo8auo1f	107	7	of	of	IN
cord-329318-eo8auo1f	107	8	descriptors	descriptor	NNS
cord-329318-eo8auo1f	107	9	for	for	IN
cord-329318-eo8auo1f	107	10	the	the	DT
cord-329318-eo8auo1f	107	11	series	series	NN
cord-329318-eo8auo1f	107	12	of	of	IN
cord-329318-eo8auo1f	107	13	22	22	CD
cord-329318-eo8auo1f	107	14	nucleotides	nucleotide	NNS
cord-329318-eo8auo1f	107	15	and	and	CC
cord-329318-eo8auo1f	107	16	active	active	JJ
cord-329318-eo8auo1f	107	17	compounds	compound	NNS
cord-329318-eo8auo1f	107	18	of	of	IN
cord-329318-eo8auo1f	107	19	nucleotide	nucleotide	JJ
cord-329318-eo8auo1f	107	20	drug	drug	NN
cord-329318-eo8auo1f	107	21	analogues	analogue	NNS
cord-329318-eo8auo1f	107	22	,	,	,
cord-329318-eo8auo1f	107	23	we	-PRON-	PRP
cord-329318-eo8auo1f	107	24	employed	employ	VBD
cord-329318-eo8auo1f	107	25	the	the	DT
cord-329318-eo8auo1f	107	26	PCA	PCA	NNP
cord-329318-eo8auo1f	107	27	implemented	implement	VBD
cord-329318-eo8auo1f	107	28	in	in	IN
cord-329318-eo8auo1f	107	29	MATLAB	MATLAB	NNP
cord-329318-eo8auo1f	107	30	45	45	CD
cord-329318-eo8auo1f	107	31	to	to	IN
cord-329318-eo8auo1f	107	32	the	the	DT
cord-329318-eo8auo1f	107	33	descriptor	descriptor	NN
cord-329318-eo8auo1f	107	34	sets	set	NNS
cord-329318-eo8auo1f	107	35	I	-PRON-	PRP
cord-329318-eo8auo1f	107	36	and	and	CC
cord-329318-eo8auo1f	107	37	II	II	NNP
cord-329318-eo8auo1f	107	38	,	,	,
cord-329318-eo8auo1f	107	39	without	without	IN
cord-329318-eo8auo1f	107	40	any	any	DT
cord-329318-eo8auo1f	107	41	preprocessing	preprocessing	NN
cord-329318-eo8auo1f	107	42	.	.	.
cord-329318-eo8auo1f	108	1	The	the	DT
cord-329318-eo8auo1f	108	2	PCA	PCA	NNP
cord-329318-eo8auo1f	108	3	linear	linear	JJ
cord-329318-eo8auo1f	108	4	combination	combination	NN
cord-329318-eo8auo1f	108	5	coefficients	coefficient	NNS
cord-329318-eo8auo1f	108	6	listed	list	VBN
cord-329318-eo8auo1f	108	7	in	in	IN
cord-329318-eo8auo1f	108	8	the	the	DT
cord-329318-eo8auo1f	108	9	Table	table	NN
cord-329318-eo8auo1f	108	10	2	2	CD
cord-329318-eo8auo1f	108	11	give	give	VBP
cord-329318-eo8auo1f	108	12	the	the	DT
cord-329318-eo8auo1f	108	13	loadings	loading	NNS
cord-329318-eo8auo1f	108	14	of	of	IN
cord-329318-eo8auo1f	108	15	each	each	DT
cord-329318-eo8auo1f	108	16	of	of	IN
cord-329318-eo8auo1f	108	17	the	the	DT
cord-329318-eo8auo1f	108	18	four	four	CD
cord-329318-eo8auo1f	108	19	principal	principal	JJ
cord-329318-eo8auo1f	108	20	components	component	NNS
cord-329318-eo8auo1f	108	21	(	(	-LRB-
cord-329318-eo8auo1f	108	22	PC	pc	NN
cord-329318-eo8auo1f	108	23	)	)	-RRB-
cord-329318-eo8auo1f	108	24	.	.	.
cord-329318-eo8auo1f	109	1	Of	of	IN
cord-329318-eo8auo1f	109	2	these	these	DT
cord-329318-eo8auo1f	109	3	,	,	,
cord-329318-eo8auo1f	109	4	the	the	DT
cord-329318-eo8auo1f	109	5	most	most	RBS
cord-329318-eo8auo1f	109	6	important	important	JJ
cord-329318-eo8auo1f	109	7	PC1−PC3	PC1−PC3	NNP
cord-329318-eo8auo1f	109	8	for	for	IN
cord-329318-eo8auo1f	109	9	each	each	DT
cord-329318-eo8auo1f	109	10	descriptor	descriptor	NN
cord-329318-eo8auo1f	109	11	set	set	VBN
cord-329318-eo8auo1f	109	12	are	be	VBP
cord-329318-eo8auo1f	109	13	presented	present	VBN
cord-329318-eo8auo1f	109	14	in	in	IN
cord-329318-eo8auo1f	109	15	the	the	DT
cord-329318-eo8auo1f	109	16	score	score	NN
cord-329318-eo8auo1f	109	17	plot	plot	NN
cord-329318-eo8auo1f	109	18	in	in	IN
cord-329318-eo8auo1f	109	19	Figure	figure	NN
cord-329318-eo8auo1f	109	20	2	2	CD
cord-329318-eo8auo1f	109	21	.	.	.
cord-329318-eo8auo1f	110	1	From	from	IN
cord-329318-eo8auo1f	110	2	the	the	DT
cord-329318-eo8auo1f	110	3	score	score	NN
cord-329318-eo8auo1f	110	4	plot	plot	NN
cord-329318-eo8auo1f	110	5	(	(	-LRB-
cord-329318-eo8auo1f	110	6	Figure	figure	NN
cord-329318-eo8auo1f	110	7	2a	2a	CD
cord-329318-eo8auo1f	110	8	)	)	-RRB-
cord-329318-eo8auo1f	110	9	,	,	,
cord-329318-eo8auo1f	110	10	it	-PRON-	PRP
cord-329318-eo8auo1f	110	11	is	be	VBZ
cord-329318-eo8auo1f	110	12	clear	clear	JJ
cord-329318-eo8auo1f	110	13	that	that	IN
cord-329318-eo8auo1f	110	14	the	the	DT
cord-329318-eo8auo1f	110	15	reference	reference	NN
cord-329318-eo8auo1f	110	16	group	group	NN
cord-329318-eo8auo1f	110	17	of	of	IN
cord-329318-eo8auo1f	110	18	conformers	conformer	NNS
cord-329318-eo8auo1f	110	19	(	(	-LRB-
cord-329318-eo8auo1f	110	20	marked	mark	VBN
cord-329318-eo8auo1f	110	21	by	by	IN
cord-329318-eo8auo1f	110	22	green	green	JJ
cord-329318-eo8auo1f	110	23	color	color	NN
cord-329318-eo8auo1f	110	24	)	)	-RRB-
cord-329318-eo8auo1f	110	25	represented	represent	VBN
cord-329318-eo8auo1f	110	26	by	by	IN
cord-329318-eo8auo1f	110	27	AMP	AMP	NNP
cord-329318-eo8auo1f	110	28	and	and	CC
cord-329318-eo8auo1f	110	29	the	the	DT
cord-329318-eo8auo1f	110	30	active	active	JJ
cord-329318-eo8auo1f	110	31	monophosphate	monophosphate	NN
cord-329318-eo8auo1f	110	32	forms	form	NNS
cord-329318-eo8auo1f	110	33	of	of	IN
cord-329318-eo8auo1f	110	34	the	the	DT
cord-329318-eo8auo1f	110	35	drugs	drug	NNS
cord-329318-eo8auo1f	110	36	remdesivir	remdesivir	NNP
cord-329318-eo8auo1f	110	37	and	and	CC
cord-329318-eo8auo1f	110	38	EIDD-2801	EIDD-2801	NNP
cord-329318-eo8auo1f	110	39	known	know	VBN
cord-329318-eo8auo1f	110	40	to	to	TO
cord-329318-eo8auo1f	110	41	exhibit	exhibit	VB
cord-329318-eo8auo1f	110	42	some	some	DT
cord-329318-eo8auo1f	110	43	level	level	NN
cord-329318-eo8auo1f	110	44	of	of	IN
cord-329318-eo8auo1f	110	45	efficiency	efficiency	NN
cord-329318-eo8auo1f	110	46	in	in	IN
cord-329318-eo8auo1f	110	47	the	the	DT
cord-329318-eo8auo1f	110	48	inhibition	inhibition	NN
cord-329318-eo8auo1f	110	49	of	of	IN
cord-329318-eo8auo1f	110	50	SARS	SARS	NNP
cord-329318-eo8auo1f	110	51	-	-	HYPH
cord-329318-eo8auo1f	110	52	CoV-2	CoV-2	NNP
cord-329318-eo8auo1f	111	1	mRNA	mrna	NN
cord-329318-eo8auo1f	111	2	replication	replication	NN
cord-329318-eo8auo1f	111	3	10,11	10,11	CD
cord-329318-eo8auo1f	111	4	form	form	VBP
cord-329318-eo8auo1f	111	5	a	a	DT
cord-329318-eo8auo1f	111	6	cluster	cluster	NN
cord-329318-eo8auo1f	111	7	within	within	IN
cord-329318-eo8auo1f	111	8	the	the	DT
cord-329318-eo8auo1f	111	9	calculated	calculate	VBN
cord-329318-eo8auo1f	111	10	PCA	PCA	NNP
cord-329318-eo8auo1f	111	11	.	.	.
cord-329318-eo8auo1f	112	1	The	the	DT
cord-329318-eo8auo1f	112	2	similar	similar	JJ
cord-329318-eo8auo1f	112	3	but	but	CC
cord-329318-eo8auo1f	112	4	sparser	sparse	JJR
cord-329318-eo8auo1f	112	5	distribution	distribution	NN
cord-329318-eo8auo1f	112	6	could	could	MD
cord-329318-eo8auo1f	112	7	be	be	VB
cord-329318-eo8auo1f	112	8	seen	see	VBN
cord-329318-eo8auo1f	112	9	for	for	IN
cord-329318-eo8auo1f	112	10	descriptor	descriptor	NN
cord-329318-eo8auo1f	112	11	set	set	VBN
cord-329318-eo8auo1f	112	12	II	II	NNP
cord-329318-eo8auo1f	112	13	(	(	-LRB-
cord-329318-eo8auo1f	112	14	Figure	figure	NN
cord-329318-eo8auo1f	112	15	2b	2b	CD
cord-329318-eo8auo1f	112	16	)	)	-RRB-
cord-329318-eo8auo1f	112	17	.	.	.
cord-329318-eo8auo1f	113	1	This	this	DT
cord-329318-eo8auo1f	113	2	shows	show	VBZ
cord-329318-eo8auo1f	113	3	that	that	IN
cord-329318-eo8auo1f	113	4	the	the	DT
cord-329318-eo8auo1f	113	5	similarity	similarity	NN
cord-329318-eo8auo1f	113	6	of	of	IN
cord-329318-eo8auo1f	113	7	these	these	DT
cord-329318-eo8auo1f	113	8	compounds	compound	NNS
cord-329318-eo8auo1f	113	9	is	be	VBZ
cord-329318-eo8auo1f	113	10	clear	clear	JJ
cord-329318-eo8auo1f	113	11	and	and	CC
cord-329318-eo8auo1f	113	12	could	could	MD
cord-329318-eo8auo1f	113	13	be	be	VB
cord-329318-eo8auo1f	113	14	captured	capture	VBN
cord-329318-eo8auo1f	113	15	with	with	IN
cord-329318-eo8auo1f	113	16	both	both	DT
cord-329318-eo8auo1f	113	17	sets	set	NNS
cord-329318-eo8auo1f	113	18	.	.	.
cord-329318-eo8auo1f	114	1	However	however	RB
cord-329318-eo8auo1f	114	2	,	,	,
cord-329318-eo8auo1f	114	3	on	on	IN
cord-329318-eo8auo1f	114	4	a	a	DT
cord-329318-eo8auo1f	114	5	closer	close	JJR
cord-329318-eo8auo1f	114	6	look	look	NN
cord-329318-eo8auo1f	114	7	,	,	,
cord-329318-eo8auo1f	114	8	one	one	PRP
cord-329318-eo8auo1f	114	9	can	can	MD
cord-329318-eo8auo1f	114	10	see	see	VB
cord-329318-eo8auo1f	114	11	that	that	IN
cord-329318-eo8auo1f	114	12	for	for	IN
cord-329318-eo8auo1f	114	13	descriptors	descriptor	NNS
cord-329318-eo8auo1f	114	14	set	set	VBD
cord-329318-eo8auo1f	114	15	II	II	NNP
cord-329318-eo8auo1f	114	16	the	the	DT
cord-329318-eo8auo1f	114	17	conformers	conformer	NNS
cord-329318-eo8auo1f	114	18	for	for	IN
cord-329318-eo8auo1f	114	19	each	each	DT
cord-329318-eo8auo1f	114	20	component	component	NN
cord-329318-eo8auo1f	114	21	are	be	VBP
cord-329318-eo8auo1f	114	22	closer	close	JJR
cord-329318-eo8auo1f	114	23	together	together	RB
cord-329318-eo8auo1f	114	24	than	than	IN
cord-329318-eo8auo1f	114	25	for	for	IN
cord-329318-eo8auo1f	115	1	the	the	DT
cord-329318-eo8auo1f	115	2	proposed	propose	VBN
cord-329318-eo8auo1f	115	3	new	new	JJ
cord-329318-eo8auo1f	115	4	descriptor	descriptor	NN
cord-329318-eo8auo1f	115	5	set	set	VBN
cord-329318-eo8auo1f	115	6	I.	i.	NN
cord-329318-eo8auo1f	116	1	This	this	DT
cord-329318-eo8auo1f	116	2	could	could	MD
cord-329318-eo8auo1f	116	3	be	be	VB
cord-329318-eo8auo1f	116	4	explained	explain	VBN
cord-329318-eo8auo1f	116	5	by	by	IN
cord-329318-eo8auo1f	116	6	the	the	DT
cord-329318-eo8auo1f	116	7	structural	structural	JJ
cord-329318-eo8auo1f	116	8	effects	effect	NNS
cord-329318-eo8auo1f	116	9	and	and	CC
cord-329318-eo8auo1f	116	10	degeneracy	degeneracy	NN
cord-329318-eo8auo1f	116	11	of	of	IN
cord-329318-eo8auo1f	116	12	descriptor	descriptor	NN
cord-329318-eo8auo1f	116	13	set	set	VBN
cord-329318-eo8auo1f	116	14	II	II	NNP
cord-329318-eo8auo1f	116	15	,	,	,
cord-329318-eo8auo1f	116	16	as	as	IN
cord-329318-eo8auo1f	116	17	the	the	DT
cord-329318-eo8auo1f	116	18	molecular	molecular	JJ
cord-329318-eo8auo1f	116	19	weight	weight	NN
cord-329318-eo8auo1f	116	20	,	,	,
cord-329318-eo8auo1f	116	21	number	number	NN
cord-329318-eo8auo1f	116	22	of	of	IN
cord-329318-eo8auo1f	116	23	hydrogen	hydrogen	NN
cord-329318-eo8auo1f	116	24	bonds	bond	NNS
cord-329318-eo8auo1f	116	25	,	,	,
cord-329318-eo8auo1f	116	26	number	number	NN
cord-329318-eo8auo1f	116	27	of	of	IN
cord-329318-eo8auo1f	116	28	donors	donor	NNS
cord-329318-eo8auo1f	116	29	and	and	CC
cord-329318-eo8auo1f	116	30	acceptors	acceptor	NNS
cord-329318-eo8auo1f	116	31	,	,	,
cord-329318-eo8auo1f	116	32	number	number	NN
cord-329318-eo8auo1f	116	33	of	of	IN
cord-329318-eo8auo1f	116	34	rotatable	rotatable	JJ
cord-329318-eo8auo1f	116	35	bonds	bond	NNS
cord-329318-eo8auo1f	116	36	,	,	,
cord-329318-eo8auo1f	116	37	number	number	NN
cord-329318-eo8auo1f	116	38	of	of	IN
cord-329318-eo8auo1f	116	39	rings	ring	NNS
cord-329318-eo8auo1f	116	40	,	,	,
cord-329318-eo8auo1f	116	41	and	and	CC
cord-329318-eo8auo1f	116	42	number	number	NN
cord-329318-eo8auo1f	116	43	of	of	IN
cord-329318-eo8auo1f	116	44	aromatic	aromatic	JJ
cord-329318-eo8auo1f	116	45	rings	ring	NNS
cord-329318-eo8auo1f	116	46	(	(	-LRB-
cord-329318-eo8auo1f	116	47	listed	list	VBN
cord-329318-eo8auo1f	116	48	in	in	IN
cord-329318-eo8auo1f	116	49	Table	Table	NNP
cord-329318-eo8auo1f	116	50	2	2	CD
cord-329318-eo8auo1f	116	51	)	)	-RRB-
cord-329318-eo8auo1f	116	52	are	be	VBP
cord-329318-eo8auo1f	116	53	(	(	-LRB-
cord-329318-eo8auo1f	116	54	nearly	nearly	RB
cord-329318-eo8auo1f	116	55	)	)	-RRB-
cord-329318-eo8auo1f	116	56	identical	identical	JJ
cord-329318-eo8auo1f	116	57	for	for	IN
cord-329318-eo8auo1f	116	58	different	different	JJ
cord-329318-eo8auo1f	116	59	conformers	conformer	NNS
cord-329318-eo8auo1f	116	60	of	of	IN
cord-329318-eo8auo1f	116	61	the	the	DT
cord-329318-eo8auo1f	116	62	same	same	JJ
cord-329318-eo8auo1f	116	63	compound	compound	NN
cord-329318-eo8auo1f	116	64	.	.	.
cord-329318-eo8auo1f	117	1	Another	another	DT
cord-329318-eo8auo1f	117	2	important	important	JJ
cord-329318-eo8auo1f	117	3	feature	feature	NN
cord-329318-eo8auo1f	117	4	of	of	IN
cord-329318-eo8auo1f	117	5	the	the	DT
cord-329318-eo8auo1f	117	6	proposed	propose	VBN
cord-329318-eo8auo1f	117	7	descriptor	descriptor	NN
cord-329318-eo8auo1f	117	8	set	set	VBN
cord-329318-eo8auo1f	118	1	I	-PRON-	PRP
cord-329318-eo8auo1f	118	2	is	be	VBZ
cord-329318-eo8auo1f	118	3	that	that	IN
cord-329318-eo8auo1f	118	4	the	the	DT
cord-329318-eo8auo1f	118	5	other	other	JJ
cord-329318-eo8auo1f	118	6	drugs	drug	NNS
cord-329318-eo8auo1f	118	7	,	,	,
cord-329318-eo8auo1f	118	8	IDX-184	idx-184	NN
cord-329318-eo8auo1f	118	9	and	and	CC
cord-329318-eo8auo1f	118	10	mizobirine	mizobirine	NN
cord-329318-eo8auo1f	118	11	in	in	IN
cord-329318-eo8auo1f	118	12	monophosphate	monophosphate	NN
cord-329318-eo8auo1f	118	13	forms	form	NNS
cord-329318-eo8auo1f	118	14	(	(	-LRB-
cord-329318-eo8auo1f	118	15	colored	color	VBN
cord-329318-eo8auo1f	118	16	in	in	IN
cord-329318-eo8auo1f	118	17	yellow	yellow	JJ
cord-329318-eo8auo1f	118	18	,	,	,
cord-329318-eo8auo1f	118	19	Figure	figure	NN
cord-329318-eo8auo1f	118	20	2a	2a	CD
cord-329318-eo8auo1f	118	21	)	)	-RRB-
cord-329318-eo8auo1f	118	22	,	,	,
cord-329318-eo8auo1f	118	23	which	which	WDT
cord-329318-eo8auo1f	118	24	have	have	VBP
cord-329318-eo8auo1f	118	25	been	be	VBN
cord-329318-eo8auo1f	118	26	identified	identify	VBN
cord-329318-eo8auo1f	118	27	to	to	TO
cord-329318-eo8auo1f	118	28	potentially	potentially	RB
cord-329318-eo8auo1f	118	29	inhibit	inhibit	VB
cord-329318-eo8auo1f	118	30	the	the	DT
cord-329318-eo8auo1f	118	31	SARS	SARS	NNP
cord-329318-eo8auo1f	118	32	-	-	HYPH
cord-329318-eo8auo1f	118	33	CoV-2	CoV-2	NNP
cord-329318-eo8auo1f	119	1	mRNA	mRNA	NNP
cord-329318-eo8auo1f	119	2	replication	replication	NN
cord-329318-eo8auo1f	119	3	,	,	,
cord-329318-eo8auo1f	119	4	46	46	CD
cord-329318-eo8auo1f	119	5	,	,	,
cord-329318-eo8auo1f	119	6	47	47	CD
cord-329318-eo8auo1f	119	7	are	be	VBP
cord-329318-eo8auo1f	119	8	better	well	RBR
cord-329318-eo8auo1f	119	9	correlated	correlate	VBN
cord-329318-eo8auo1f	119	10	with	with	IN
cord-329318-eo8auo1f	119	11	the	the	DT
cord-329318-eo8auo1f	119	12	reference	reference	NN
cord-329318-eo8auo1f	119	13	conformers	conformer	NNS
cord-329318-eo8auo1f	119	14	than	than	IN
cord-329318-eo8auo1f	119	15	those	those	DT
cord-329318-eo8auo1f	119	16	of	of	IN
cord-329318-eo8auo1f	119	17	descriptor	descriptor	NN
cord-329318-eo8auo1f	119	18	set	set	VBN
cord-329318-eo8auo1f	119	19	II	II	NNP
cord-329318-eo8auo1f	119	20	(	(	-LRB-
cord-329318-eo8auo1f	119	21	Figure	figure	NN
cord-329318-eo8auo1f	119	22	1b	1b	CD
cord-329318-eo8auo1f	119	23	)	)	-RRB-
cord-329318-eo8auo1f	119	24	.	.	.
cord-329318-eo8auo1f	120	1	In	in	IN
cord-329318-eo8auo1f	120	2	a	a	DT
cord-329318-eo8auo1f	120	3	yield	yield	NN
cord-329318-eo8auo1f	120	4	reduction	reduction	NN
cord-329318-eo8auo1f	120	5	assay	assay	NN
cord-329318-eo8auo1f	120	6	,	,	,
cord-329318-eo8auo1f	120	7	mizoribine	mizoribine	NNP
cord-329318-eo8auo1f	120	8	has	have	VBZ
cord-329318-eo8auo1f	120	9	inhibited	inhibit	VBN
cord-329318-eo8auo1f	120	10	the	the	DT
cord-329318-eo8auo1f	120	11	replication	replication	NN
cord-329318-eo8auo1f	120	12	of	of	IN
cord-329318-eo8auo1f	120	13	SARS	SARS	NNP
cord-329318-eo8auo1f	120	14	-	-	HYPH
cord-329318-eo8auo1f	120	15	CoV-1	CoV-1	NNP
cord-329318-eo8auo1f	120	16	more	more	RBR
cord-329318-eo8auo1f	120	17	strongly	strongly	RB
cord-329318-eo8auo1f	120	18	than	than	IN
cord-329318-eo8auo1f	120	19	ribavirin	ribavirin	NN
cord-329318-eo8auo1f	120	20	,	,	,
cord-329318-eo8auo1f	120	21	reducing	reduce	VBG
cord-329318-eo8auo1f	120	22	the	the	DT
cord-329318-eo8auo1f	120	23	virus	virus	NN
cord-329318-eo8auo1f	120	24	titers	titer	NNS
cord-329318-eo8auo1f	120	25	to	to	IN
cord-329318-eo8auo1f	120	26	one	one	CD
cord-329318-eo8auo1f	120	27	-	-	HYPH
cord-329318-eo8auo1f	120	28	tenth	tenth	NN
cord-329318-eo8auo1f	120	29	or	or	CC
cord-329318-eo8auo1f	120	30	less	less	JJR
cord-329318-eo8auo1f	120	31	.	.	.
cord-329318-eo8auo1f	121	1	46	46	CD
cord-329318-eo8auo1f	122	1	The	the	DT
cord-329318-eo8auo1f	122	2	anti	anti	JJ
cord-329318-eo8auo1f	122	3	-	-	JJ
cord-329318-eo8auo1f	122	4	hepatitis	hepatitis	JJ
cord-329318-eo8auo1f	122	5	C	c	NN
cord-329318-eo8auo1f	122	6	virus	virus	NN
cord-329318-eo8auo1f	122	7	replication	replication	NN
cord-329318-eo8auo1f	122	8	inhibitor	inhibitor	NN
cord-329318-eo8auo1f	122	9	drug	drug	NN
cord-329318-eo8auo1f	122	10	IRX-184	IRX-184	NNPS
cord-329318-eo8auo1f	122	11	has	have	VBZ
cord-329318-eo8auo1f	122	12	shown	show	VBN
cord-329318-eo8auo1f	122	13	promising	promising	JJ
cord-329318-eo8auo1f	122	14	results	result	NNS
cord-329318-eo8auo1f	122	15	as	as	IN
cord-329318-eo8auo1f	122	16	SARS	SARS	NNP
cord-329318-eo8auo1f	122	17	-	-	HYPH
cord-329318-eo8auo1f	122	18	CoV-2	CoV-2	NNP
cord-329318-eo8auo1f	122	19	RdRp	RdRp	NNP
cord-329318-eo8auo1f	122	20	inhibitor	inhibitor	NN
cord-329318-eo8auo1f	122	21	based	base	VBN
cord-329318-eo8auo1f	122	22	on	on	IN
cord-329318-eo8auo1f	122	23	molecular	molecular	JJ
cord-329318-eo8auo1f	122	24	docking	docking	NN
cord-329318-eo8auo1f	122	25	that	that	WDT
cord-329318-eo8auo1f	122	26	is	be	VBZ
cord-329318-eo8auo1f	122	27	yet	yet	RB
cord-329318-eo8auo1f	122	28	to	to	TO
cord-329318-eo8auo1f	122	29	be	be	VB
cord-329318-eo8auo1f	122	30	confirmed	confirm	VBN
cord-329318-eo8auo1f	122	31	experimentally	experimentally	RB
cord-329318-eo8auo1f	122	32	.	.	.
cord-329318-eo8auo1f	123	1	47	47	CD
cord-329318-eo8auo1f	124	1	Moreover	moreover	RB
cord-329318-eo8auo1f	124	2	,	,	,
cord-329318-eo8auo1f	124	3	the	the	DT
cord-329318-eo8auo1f	124	4	extent	extent	NN
cord-329318-eo8auo1f	124	5	of	of	IN
cord-329318-eo8auo1f	124	6	correlation	correlation	NN
cord-329318-eo8auo1f	124	7	among	among	IN
cord-329318-eo8auo1f	124	8	the	the	DT
cord-329318-eo8auo1f	124	9	conformers	conformer	NNS
cord-329318-eo8auo1f	124	10	of	of	IN
cord-329318-eo8auo1f	124	11	the	the	DT
cord-329318-eo8auo1f	124	12	same	same	JJ
cord-329318-eo8auo1f	124	13	drug	drug	NN
cord-329318-eo8auo1f	124	14	is	be	VBZ
cord-329318-eo8auo1f	124	15	enhanced	enhance	VBN
cord-329318-eo8auo1f	124	16	when	when	WRB
cord-329318-eo8auo1f	124	17	descriptor	descriptor	NN
cord-329318-eo8auo1f	124	18	set	set	VBN
cord-329318-eo8auo1f	124	19	I	-PRON-	PRP
cord-329318-eo8auo1f	124	20	is	be	VBZ
cord-329318-eo8auo1f	124	21	used	use	VBN
cord-329318-eo8auo1f	124	22	(	(	-LRB-
cord-329318-eo8auo1f	124	23	Figure	figure	NN
cord-329318-eo8auo1f	124	24	2a	2a	CD
cord-329318-eo8auo1f	124	25	)	)	-RRB-
cord-329318-eo8auo1f	124	26	.	.	.
cord-329318-eo8auo1f	125	1	The	the	DT
cord-329318-eo8auo1f	125	2	monophosphate	monophosphate	NN
cord-329318-eo8auo1f	125	3	forms	form	NNS
cord-329318-eo8auo1f	125	4	of	of	IN
cord-329318-eo8auo1f	125	5	the	the	DT
cord-329318-eo8auo1f	125	6	drugs	drug	NNS
cord-329318-eo8auo1f	125	7	ribavirin	ribavirin	RB
cord-329318-eo8auo1f	125	8	,	,	,
cord-329318-eo8auo1f	125	9	penciclovir	penciclovir	NNP
cord-329318-eo8auo1f	125	10	,	,	,
cord-329318-eo8auo1f	125	11	and	and	CC
cord-329318-eo8auo1f	125	12	acyclovir	acyclovir	NNP
cord-329318-eo8auo1f	126	1	,	,	,
cord-329318-eo8auo1f	126	2	shown	show	VBN
cord-329318-eo8auo1f	126	3	in	in	IN
cord-329318-eo8auo1f	126	4	blue	blue	JJ
cord-329318-eo8auo1f	126	5	squares	square	NNS
cord-329318-eo8auo1f	126	6	,	,	,
cord-329318-eo8auo1f	126	7	are	be	VBP
cord-329318-eo8auo1f	126	8	also	also	RB
cord-329318-eo8auo1f	126	9	anticipated	anticipate	VBN
cord-329318-eo8auo1f	126	10	to	to	TO
cord-329318-eo8auo1f	126	11	have	have	VB
cord-329318-eo8auo1f	126	12	some	some	DT
cord-329318-eo8auo1f	126	13	RdRp	RdRp	NNP
cord-329318-eo8auo1f	126	14	replication	replication	NN
cord-329318-eo8auo1f	126	15	inhibition	inhibition	NN
cord-329318-eo8auo1f	126	16	activity	activity	NN
cord-329318-eo8auo1f	126	17	.	.	.
cord-329318-eo8auo1f	127	1	The	the	DT
cord-329318-eo8auo1f	127	2	herpesvirus	herpesvirus	NN
cord-329318-eo8auo1f	127	3	RNA	rna	NN
cord-329318-eo8auo1f	127	4	and	and	CC
cord-329318-eo8auo1f	127	5	deoxyribonucleic	deoxyribonucleic	JJ
cord-329318-eo8auo1f	127	6	acid	acid	NN
cord-329318-eo8auo1f	127	7	(	(	-LRB-
cord-329318-eo8auo1f	127	8	DNA	dna	NN
cord-329318-eo8auo1f	127	9	)	)	-RRB-
cord-329318-eo8auo1f	127	10	replication	replication	NN
cord-329318-eo8auo1f	127	11	inhibitors	inhibitor	NNS
cord-329318-eo8auo1f	127	12	ribavirin	ribavirin	RB
cord-329318-eo8auo1f	127	13	and	and	CC
cord-329318-eo8auo1f	127	14	penciclovir	penciclovir	NNPS
cord-329318-eo8auo1f	127	15	have	have	VBP
cord-329318-eo8auo1f	127	16	been	be	VBN
cord-329318-eo8auo1f	127	17	shown	show	VBN
cord-329318-eo8auo1f	127	18	to	to	TO
cord-329318-eo8auo1f	127	19	reduce	reduce	VB
cord-329318-eo8auo1f	127	20	the	the	DT
cord-329318-eo8auo1f	127	21	SARS	SARS	NNP
cord-329318-eo8auo1f	127	22	-	-	HYPH
cord-329318-eo8auo1f	127	23	CoV-2	CoV-2	NNP
cord-329318-eo8auo1f	127	24	viral	viral	JJ
cord-329318-eo8auo1f	127	25	infection	infection	NN
cord-329318-eo8auo1f	127	26	against	against	IN
cord-329318-eo8auo1f	127	27	a	a	DT
cord-329318-eo8auo1f	127	28	clinical	clinical	JJ
cord-329318-eo8auo1f	127	29	isolate	isolate	NN
cord-329318-eo8auo1f	127	30	in	in	IN
cord-329318-eo8auo1f	127	31	vitro	vitro	FW
cord-329318-eo8auo1f	127	32	at	at	IN
cord-329318-eo8auo1f	127	33	high	high	JJ
cord-329318-eo8auo1f	127	34	concentrations	concentration	NNS
cord-329318-eo8auo1f	127	35	.	.	.
cord-329318-eo8auo1f	128	1	20	20	CD
cord-329318-eo8auo1f	128	2	Acyclovir	Acyclovir	NNP
cord-329318-eo8auo1f	128	3	treatment	treatment	NN
cord-329318-eo8auo1f	128	4	has	have	VBZ
cord-329318-eo8auo1f	128	5	been	be	VBN
cord-329318-eo8auo1f	128	6	associated	associate	VBN
cord-329318-eo8auo1f	128	7	with	with	IN
cord-329318-eo8auo1f	128	8	significantly	significantly	RB
cord-329318-eo8auo1f	128	9	extending	extend	VBG
cord-329318-eo8auo1f	128	10	the	the	DT
cord-329318-eo8auo1f	128	11	life	life	NN
cord-329318-eo8auo1f	128	12	and	and	CC
cord-329318-eo8auo1f	128	13	improving	improve	VBG
cord-329318-eo8auo1f	128	14	the	the	DT
cord-329318-eo8auo1f	128	15	circulatory	circulatory	JJ
cord-329318-eo8auo1f	128	16	and	and	CC
cord-329318-eo8auo1f	128	17	pulmonary	pulmonary	JJ
cord-329318-eo8auo1f	128	18	function	function	NN
cord-329318-eo8auo1f	128	19	in	in	IN
cord-329318-eo8auo1f	128	20	patients	patient	NNS
cord-329318-eo8auo1f	128	21	with	with	IN
cord-329318-eo8auo1f	128	22	ventilator	ventilator	NN
cord-329318-eo8auo1f	128	23	-	-	HYPH
cord-329318-eo8auo1f	128	24	associated	associate	VBN
cord-329318-eo8auo1f	128	25	pneumonia	pneumonia	NN
cord-329318-eo8auo1f	128	26	and	and	CC
cord-329318-eo8auo1f	128	27	high	high	JJ
cord-329318-eo8auo1f	128	28	levels	level	NNS
cord-329318-eo8auo1f	128	29	of	of	IN
cord-329318-eo8auo1f	128	30	herpesvirus	herpesvirus	NN
cord-329318-eo8auo1f	128	31	replication	replication	NN
cord-329318-eo8auo1f	128	32	,	,	,
cord-329318-eo8auo1f	128	33	48	48	CD
cord-329318-eo8auo1f	128	34	making	make	VBG
cord-329318-eo8auo1f	128	35	it	-PRON-	PRP
cord-329318-eo8auo1f	128	36	promising	promising	JJ
cord-329318-eo8auo1f	128	37	for	for	IN
cord-329318-eo8auo1f	128	38	the	the	DT
cord-329318-eo8auo1f	128	39	treatment	treatment	NN
cord-329318-eo8auo1f	128	40	of	of	IN
cord-329318-eo8auo1f	128	41	COVID-19	covid-19	JJ
cord-329318-eo8auo1f	128	42	symptoms	symptom	NNS
cord-329318-eo8auo1f	128	43	.	.	.
cord-329318-eo8auo1f	129	1	Currently	currently	RB
cord-329318-eo8auo1f	129	2	,	,	,
cord-329318-eo8auo1f	129	3	proven	prove	VBN
cord-329318-eo8auo1f	129	4	drug	drug	NN
cord-329318-eo8auo1f	129	5	efficiency	efficiency	NN
cord-329318-eo8auo1f	129	6	results	result	NNS
cord-329318-eo8auo1f	129	7	are	be	VBP
cord-329318-eo8auo1f	129	8	scarce	scarce	JJ
cord-329318-eo8auo1f	129	9	,	,	,
cord-329318-eo8auo1f	129	10	making	make	VBG
cord-329318-eo8auo1f	129	11	further	further	JJ
cord-329318-eo8auo1f	129	12	descriptor	descriptor	NN
cord-329318-eo8auo1f	129	13	set	set	VBN
cord-329318-eo8auo1f	129	14	evaluation	evaluation	NN
cord-329318-eo8auo1f	129	15	challenging	challenging	NN
cord-329318-eo8auo1f	129	16	.	.	.
cord-329318-eo8auo1f	130	1	This	this	DT
cord-329318-eo8auo1f	130	2	analysis	analysis	NN
cord-329318-eo8auo1f	130	3	could	could	MD
cord-329318-eo8auo1f	130	4	be	be	VB
cord-329318-eo8auo1f	130	5	extended	extend	VBN
cord-329318-eo8auo1f	130	6	in	in	IN
cord-329318-eo8auo1f	130	7	the	the	DT
cord-329318-eo8auo1f	130	8	future	future	NN
cord-329318-eo8auo1f	130	9	when	when	WRB
cord-329318-eo8auo1f	130	10	more	more	JJR
cord-329318-eo8auo1f	130	11	results	result	NNS
cord-329318-eo8auo1f	130	12	become	become	VBP
cord-329318-eo8auo1f	130	13	available	available	JJ
cord-329318-eo8auo1f	130	14	in	in	IN
cord-329318-eo8auo1f	130	15	the	the	DT
cord-329318-eo8auo1f	130	16	literature	literature	NN
cord-329318-eo8auo1f	130	17	.	.	.
cord-329318-eo8auo1f	131	1	The	the	DT
cord-329318-eo8auo1f	131	2	PC	pc	NN
cord-329318-eo8auo1f	131	3	loadings	loading	NNS
cord-329318-eo8auo1f	131	4	listed	list	VBN
cord-329318-eo8auo1f	131	5	in	in	IN
cord-329318-eo8auo1f	131	6	Table	Table	NNP
cord-329318-eo8auo1f	131	7	2	2	CD
cord-329318-eo8auo1f	131	8	represent	represent	VBP
cord-329318-eo8auo1f	131	9	the	the	DT
cord-329318-eo8auo1f	131	10	normalized	normalized	JJ
cord-329318-eo8auo1f	131	11	coefficients	coefficient	NNS
cord-329318-eo8auo1f	131	12	of	of	IN
cord-329318-eo8auo1f	131	13	linear	linear	JJ
cord-329318-eo8auo1f	131	14	combinations	combination	NNS
cord-329318-eo8auo1f	131	15	for	for	IN
cord-329318-eo8auo1f	131	16	transformation	transformation	NN
cord-329318-eo8auo1f	131	17	properties	property	NNS
cord-329318-eo8auo1f	131	18	represented	represent	VBN
cord-329318-eo8auo1f	131	19	by	by	IN
cord-329318-eo8auo1f	131	20	descriptors	descriptor	NNS
cord-329318-eo8auo1f	131	21	to	to	IN
cord-329318-eo8auo1f	131	22	the	the	DT
cord-329318-eo8auo1f	131	23	new	new	JJ
cord-329318-eo8auo1f	131	24	PCs	pc	NNS
cord-329318-eo8auo1f	131	25	.	.	.
cord-329318-eo8auo1f	132	1	The	the	DT
cord-329318-eo8auo1f	132	2	PC	pc	NN
cord-329318-eo8auo1f	132	3	loadings	loading	NNS
cord-329318-eo8auo1f	132	4	also	also	RB
cord-329318-eo8auo1f	132	5	indicate	indicate	VBP
cord-329318-eo8auo1f	132	6	the	the	DT
cord-329318-eo8auo1f	132	7	weight	weight	NN
cord-329318-eo8auo1f	132	8	of	of	IN
cord-329318-eo8auo1f	132	9	the	the	DT
cord-329318-eo8auo1f	132	10	descriptors	descriptor	NNS
cord-329318-eo8auo1f	132	11	,	,	,
cord-329318-eo8auo1f	132	12	while	while	IN
cord-329318-eo8auo1f	132	13	the	the	DT
cord-329318-eo8auo1f	132	14	PC	pc	NN
cord-329318-eo8auo1f	132	15	latency	latency	NN
cord-329318-eo8auo1f	132	16	indicates	indicate	VBZ
cord-329318-eo8auo1f	132	17	its	-PRON-	PRP$
cord-329318-eo8auo1f	132	18	strength	strength	NN
cord-329318-eo8auo1f	132	19	or	or	CC
cord-329318-eo8auo1f	132	20	order	order	NN
cord-329318-eo8auo1f	132	21	of	of	IN
cord-329318-eo8auo1f	132	22	importance	importance	NN
cord-329318-eo8auo1f	132	23	of	of	IN
cord-329318-eo8auo1f	132	24	PCA	PCA	NNP
cord-329318-eo8auo1f	132	25	components	component	NNS
cord-329318-eo8auo1f	132	26	.	.	.
cord-329318-eo8auo1f	133	1	For	for	IN
cord-329318-eo8auo1f	133	2	descriptor	descriptor	NN
cord-329318-eo8auo1f	133	3	set	set	VBN
cord-329318-eo8auo1f	133	4	I	I	NNP
cord-329318-eo8auo1f	133	5	,	,	,
cord-329318-eo8auo1f	133	6	the	the	DT
cord-329318-eo8auo1f	133	7	COSMO	COSMO	NNP
cord-329318-eo8auo1f	133	8	-	-	HYPH
cord-329318-eo8auo1f	133	9	RS	RS	NNP
cord-329318-eo8auo1f	133	10	solvation	solvation	NN
cord-329318-eo8auo1f	133	11	energy	energy	NN
cord-329318-eo8auo1f	133	12	and	and	CC
cord-329318-eo8auo1f	133	13	σ	σ	NN
cord-329318-eo8auo1f	133	14	-	-	HYPH
cord-329318-eo8auo1f	133	15	profile	profile	NN
cord-329318-eo8auo1f	133	16	projections	projection	NNS
cord-329318-eo8auo1f	133	17	W1	W1	NNP
cord-329318-eo8auo1f	133	18	and	and	CC
cord-329318-eo8auo1f	133	19	W4	W4	NNP
cord-329318-eo8auo1f	133	20	have	have	VBP
cord-329318-eo8auo1f	133	21	the	the	DT
cord-329318-eo8auo1f	133	22	largest	large	JJS
cord-329318-eo8auo1f	133	23	weights	weight	NNS
cord-329318-eo8auo1f	133	24	in	in	IN
cord-329318-eo8auo1f	133	25	PC1	PC1	NNP
cord-329318-eo8auo1f	133	26	(	(	-LRB-
cord-329318-eo8auo1f	133	27	with	with	IN
cord-329318-eo8auo1f	133	28	the	the	DT
cord-329318-eo8auo1f	133	29	highest	high	JJS
cord-329318-eo8auo1f	133	30	latency	latency	NN
cord-329318-eo8auo1f	133	31	)	)	-RRB-
cord-329318-eo8auo1f	133	32	,	,	,
cord-329318-eo8auo1f	133	33	followed	follow	VBN
cord-329318-eo8auo1f	133	34	by	by	IN
cord-329318-eo8auo1f	133	35	the	the	DT
cord-329318-eo8auo1f	133	36	dipole	dipole	NN
cord-329318-eo8auo1f	133	37	moment	moment	NN
cord-329318-eo8auo1f	133	38	,	,	,
cord-329318-eo8auo1f	133	39	accessible	accessible	JJ
cord-329318-eo8auo1f	133	40	surface	surface	NN
cord-329318-eo8auo1f	133	41	,	,	,
cord-329318-eo8auo1f	133	42	and	and	CC
cord-329318-eo8auo1f	133	43	phosphorus	phosphorus	NN
cord-329318-eo8auo1f	133	44	atom	atom	NN
cord-329318-eo8auo1f	133	45	charge	charge	NN
cord-329318-eo8auo1f	133	46	.	.	.
cord-329318-eo8auo1f	134	1	The	the	DT
cord-329318-eo8auo1f	134	2	largest	large	JJS
cord-329318-eo8auo1f	134	3	weights	weight	NNS
cord-329318-eo8auo1f	134	4	in	in	IN
cord-329318-eo8auo1f	134	5	PC2	PC2	NNP
cord-329318-eo8auo1f	134	6	are	be	VBP
cord-329318-eo8auo1f	134	7	calculated	calculate	VBN
cord-329318-eo8auo1f	134	8	for	for	IN
cord-329318-eo8auo1f	134	9	the	the	DT
cord-329318-eo8auo1f	134	10	σ	σ	NNP
cord-329318-eo8auo1f	134	11	-	-	HYPH
cord-329318-eo8auo1f	134	12	profile	profile	NN
cord-329318-eo8auo1f	134	13	projections	projection	NNS
cord-329318-eo8auo1f	134	14	W2	W2	NNP
cord-329318-eo8auo1f	134	15	and	and	CC
cord-329318-eo8auo1f	134	16	W3	W3	NNP
cord-329318-eo8auo1f	134	17	,	,	,
cord-329318-eo8auo1f	134	18	and	and	CC
cord-329318-eo8auo1f	134	19	the	the	DT
cord-329318-eo8auo1f	134	20	phosphorus	phosphorus	NN
cord-329318-eo8auo1f	134	21	atom	atom	NN
cord-329318-eo8auo1f	134	22	charge	charge	NN
cord-329318-eo8auo1f	134	23	.	.	.
cord-329318-eo8auo1f	135	1	In	in	IN
cord-329318-eo8auo1f	135	2	PC3	PC3	NNP
cord-329318-eo8auo1f	135	3	,	,	,
cord-329318-eo8auo1f	135	4	the	the	DT
cord-329318-eo8auo1f	135	5	largest	large	JJS
cord-329318-eo8auo1f	135	6	weights	weight	NNS
cord-329318-eo8auo1f	135	7	are	be	VBP
cord-329318-eo8auo1f	135	8	for	for	IN
cord-329318-eo8auo1f	135	9	σ	σ	NN
cord-329318-eo8auo1f	135	10	-	-	HYPH
cord-329318-eo8auo1f	135	11	profile	profile	NN
cord-329318-eo8auo1f	135	12	projection	projection	NN
cord-329318-eo8auo1f	135	13	W2	W2	NNP
cord-329318-eo8auo1f	135	14	and	and	CC
cord-329318-eo8auo1f	135	15	the	the	DT
cord-329318-eo8auo1f	135	16	solvent	solvent	NN
cord-329318-eo8auo1f	135	17	accessible	accessible	JJ
cord-329318-eo8auo1f	135	18	surface	surface	NN
cord-329318-eo8auo1f	135	19	.	.	.
cord-329318-eo8auo1f	136	1	For	for	IN
cord-329318-eo8auo1f	136	2	descriptor	descriptor	NN
cord-329318-eo8auo1f	136	3	set	set	VBN
cord-329318-eo8auo1f	136	4	II	II	NNP
cord-329318-eo8auo1f	136	5	,	,	,
cord-329318-eo8auo1f	136	6	the	the	DT
cord-329318-eo8auo1f	136	7	molecular	molecular	JJ
cord-329318-eo8auo1f	136	8	polar	polar	JJ
cord-329318-eo8auo1f	136	9	surface	surface	NN
cord-329318-eo8auo1f	136	10	area	area	NN
cord-329318-eo8auo1f	136	11	and	and	CC
cord-329318-eo8auo1f	136	12	fractional	fractional	JJ
cord-329318-eo8auo1f	136	13	polar	polar	JJ
cord-329318-eo8auo1f	136	14	surface	surface	NN
cord-329318-eo8auo1f	136	15	area	area	NN
cord-329318-eo8auo1f	136	16	as	as	RB
cord-329318-eo8auo1f	136	17	well	well	RB
cord-329318-eo8auo1f	136	18	as	as	IN
cord-329318-eo8auo1f	136	19	the	the	DT
cord-329318-eo8auo1f	136	20	number	number	NN
cord-329318-eo8auo1f	136	21	of	of	IN
cord-329318-eo8auo1f	136	22	hydrogen	hydrogen	NN
cord-329318-eo8auo1f	136	23	bond	bond	NN
cord-329318-eo8auo1f	136	24	donors	donor	NNS
cord-329318-eo8auo1f	136	25	and	and	CC
cord-329318-eo8auo1f	136	26	acceptors	acceptor	NNS
cord-329318-eo8auo1f	136	27	and	and	CC
cord-329318-eo8auo1f	136	28	hydrophobicity	hydrophobicity	NN
cord-329318-eo8auo1f	136	29	are	be	VBP
cord-329318-eo8auo1f	136	30	the	the	DT
cord-329318-eo8auo1f	136	31	most	most	RBS
cord-329318-eo8auo1f	136	32	important	important	JJ
cord-329318-eo8auo1f	136	33	for	for	IN
cord-329318-eo8auo1f	136	34	PC1	PC1	NNP
cord-329318-eo8auo1f	136	35	,	,	,
cord-329318-eo8auo1f	136	36	based	base	VBN
cord-329318-eo8auo1f	136	37	on	on	IN
cord-329318-eo8auo1f	136	38	the	the	DT
cord-329318-eo8auo1f	136	39	weights	weight	NNS
cord-329318-eo8auo1f	136	40	.	.	.
cord-329318-eo8auo1f	137	1	In	in	IN
cord-329318-eo8auo1f	137	2	PC2	PC2	NNP
cord-329318-eo8auo1f	137	3	,	,	,
cord-329318-eo8auo1f	137	4	the	the	DT
cord-329318-eo8auo1f	137	5	molecular	molecular	JJ
cord-329318-eo8auo1f	137	6	surface	surface	NN
cord-329318-eo8auo1f	137	7	area	area	NN
cord-329318-eo8auo1f	137	8	and	and	CC
cord-329318-eo8auo1f	137	9	number	number	NN
cord-329318-eo8auo1f	137	10	of	of	IN
cord-329318-eo8auo1f	137	11	aromatic	aromatic	JJ
cord-329318-eo8auo1f	137	12	rings	ring	NNS
cord-329318-eo8auo1f	137	13	have	have	VBP
cord-329318-eo8auo1f	137	14	the	the	DT
cord-329318-eo8auo1f	137	15	largest	large	JJS
cord-329318-eo8auo1f	137	16	weights	weight	NNS
cord-329318-eo8auo1f	137	17	.	.	.
cord-329318-eo8auo1f	138	1	The	the	DT
cord-329318-eo8auo1f	138	2	large	large	JJ
cord-329318-eo8auo1f	138	3	weights	weight	NNS
cord-329318-eo8auo1f	138	4	of	of	IN
cord-329318-eo8auo1f	138	5	the	the	DT
cord-329318-eo8auo1f	138	6	molecular	molecular	JJ
cord-329318-eo8auo1f	138	7	surface	surface	NN
cord-329318-eo8auo1f	138	8	area	area	NN
cord-329318-eo8auo1f	138	9	,	,	,
cord-329318-eo8auo1f	138	10	hydrogen	hydrogen	NN
cord-329318-eo8auo1f	138	11	bonding	bonding	NN
cord-329318-eo8auo1f	138	12	,	,	,
cord-329318-eo8auo1f	138	13	and	and	CC
cord-329318-eo8auo1f	138	14	hydrophobicity	hydrophobicity	NN
cord-329318-eo8auo1f	138	15	descriptors	descriptor	NNS
cord-329318-eo8auo1f	138	16	of	of	IN
cord-329318-eo8auo1f	138	17	set	set	VBN
cord-329318-eo8auo1f	138	18	II	II	NNP
cord-329318-eo8auo1f	138	19	effectively	effectively	RB
cord-329318-eo8auo1f	138	20	justify	justify	VBP
cord-329318-eo8auo1f	138	21	the	the	DT
cord-329318-eo8auo1f	138	22	use	use	NN
cord-329318-eo8auo1f	138	23	of	of	IN
cord-329318-eo8auo1f	138	24	the	the	DT
cord-329318-eo8auo1f	138	25	more	more	RBR
cord-329318-eo8auo1f	138	26	advanced	advanced	JJ
cord-329318-eo8auo1f	138	27	descriptors	descriptor	NNS
cord-329318-eo8auo1f	138	28	of	of	IN
cord-329318-eo8auo1f	138	29	the	the	DT
cord-329318-eo8auo1f	138	30	proposed	propose	VBN
cord-329318-eo8auo1f	138	31	COSMO	COSMO	NNP
cord-329318-eo8auo1f	138	32	-	-	HYPH
cord-329318-eo8auo1f	138	33	RS	rs	NN
cord-329318-eo8auo1f	138	34	-	-	HYPH
cord-329318-eo8auo1f	138	35	based	base	VBN
cord-329318-eo8auo1f	138	36	set	set	NN
cord-329318-eo8auo1f	139	1	I.	i.	LS
cord-329318-eo8auo1f	139	2	The	the	DT
cord-329318-eo8auo1f	139	3	polar	polar	JJ
cord-329318-eo8auo1f	139	4	surface	surface	NN
cord-329318-eo8auo1f	139	5	area	area	NN
cord-329318-eo8auo1f	139	6	descriptors	descriptor	NNS
cord-329318-eo8auo1f	139	7	of	of	IN
cord-329318-eo8auo1f	139	8	set	set	VBN
cord-329318-eo8auo1f	139	9	II	II	NNP
cord-329318-eo8auo1f	139	10	have	have	VBP
cord-329318-eo8auo1f	139	11	close	close	JJ
cord-329318-eo8auo1f	139	12	physical	physical	JJ
cord-329318-eo8auo1f	139	13	meaning	meaning	NN
cord-329318-eo8auo1f	139	14	to	to	IN
cord-329318-eo8auo1f	139	15	the	the	DT
cord-329318-eo8auo1f	139	16	COSMO	COSMO	NNP
cord-329318-eo8auo1f	139	17	-	-	HYPH
cord-329318-eo8auo1f	139	18	RS	RS	NNP
cord-329318-eo8auo1f	139	19	σ	σ	NN
cord-329318-eo8auo1f	139	20	-	-	HYPH
cord-329318-eo8auo1f	139	21	profiles	profile	NNS
cord-329318-eo8auo1f	139	22	,	,	,
cord-329318-eo8auo1f	139	23	as	as	IN
cord-329318-eo8auo1f	139	24	both	both	DT
cord-329318-eo8auo1f	139	25	describe	describe	VBP
cord-329318-eo8auo1f	139	26	the	the	DT
cord-329318-eo8auo1f	139	27	"	"	``
cord-329318-eo8auo1f	139	28	polarization	polarization	NN
cord-329318-eo8auo1f	139	29	"	"	''
cord-329318-eo8auo1f	139	30	of	of	IN
cord-329318-eo8auo1f	139	31	the	the	DT
cord-329318-eo8auo1f	139	32	molecular	molecular	JJ
cord-329318-eo8auo1f	139	33	surface	surface	NN
cord-329318-eo8auo1f	139	34	.	.	.
cord-329318-eo8auo1f	140	1	However	however	RB
cord-329318-eo8auo1f	140	2	,	,	,
cord-329318-eo8auo1f	140	3	the	the	DT
cord-329318-eo8auo1f	140	4	advantage	advantage	NN
cord-329318-eo8auo1f	140	5	of	of	IN
cord-329318-eo8auo1f	140	6	the	the	DT
cord-329318-eo8auo1f	140	7	proposed	propose	VBN
cord-329318-eo8auo1f	140	8	descriptors	descriptor	NNS
cord-329318-eo8auo1f	140	9	is	be	VBZ
cord-329318-eo8auo1f	140	10	that	that	IN
cord-329318-eo8auo1f	140	11	the	the	DT
cord-329318-eo8auo1f	140	12	COSMO	COSMO	NNP
cord-329318-eo8auo1f	140	13	-	-	HYPH
cord-329318-eo8auo1f	140	14	RS	RS	NNP
cord-329318-eo8auo1f	140	15	σ	σ	NN
cord-329318-eo8auo1f	140	16	-	-	HYPH
cord-329318-eo8auo1f	140	17	profiles	profile	NNS
cord-329318-eo8auo1f	140	18	are	be	VBP
cord-329318-eo8auo1f	140	19	based	base	VBN
cord-329318-eo8auo1f	140	20	on	on	IN
cord-329318-eo8auo1f	140	21	more	more	RBR
cord-329318-eo8auo1f	140	22	accurate	accurate	JJ
cord-329318-eo8auo1f	140	23	DFT	DFT	NNP
cord-329318-eo8auo1f	140	24	calculations	calculation	NNS
cord-329318-eo8auo1f	140	25	,	,	,
cord-329318-eo8auo1f	140	26	while	while	IN
cord-329318-eo8auo1f	140	27	polar	polar	JJ
cord-329318-eo8auo1f	140	28	surface	surface	NN
cord-329318-eo8auo1f	140	29	area	area	NN
cord-329318-eo8auo1f	140	30	descriptors	descriptor	NNS
cord-329318-eo8auo1f	140	31	are	be	VBP
cord-329318-eo8auo1f	140	32	calculated	calculate	VBN
cord-329318-eo8auo1f	140	33	from	from	IN
cord-329318-eo8auo1f	140	34	molecular	molecular	JJ
cord-329318-eo8auo1f	140	35	mechanics	mechanic	NNS
cord-329318-eo8auo1f	140	36	force	force	NN
cord-329318-eo8auo1f	140	37	fields	field	NNS
cord-329318-eo8auo1f	140	38	and	and	CC
cord-329318-eo8auo1f	140	39	can	can	MD
cord-329318-eo8auo1f	140	40	not	not	RB
cord-329318-eo8auo1f	140	41	fully	fully	RB
cord-329318-eo8auo1f	140	42	account	account	VB
cord-329318-eo8auo1f	140	43	for	for	IN
cord-329318-eo8auo1f	140	44	the	the	DT
cord-329318-eo8auo1f	140	45	correlation	correlation	NN
cord-329318-eo8auo1f	140	46	of	of	IN
cord-329318-eo8auo1f	140	47	atoms	atom	NNS
cord-329318-eo8auo1f	140	48	within	within	IN
cord-329318-eo8auo1f	140	49	a	a	DT
cord-329318-eo8auo1f	140	50	molecule	molecule	NN
cord-329318-eo8auo1f	140	51	.	.	.
cord-329318-eo8auo1f	141	1	This	this	DT
cord-329318-eo8auo1f	141	2	advantage	advantage	NN
cord-329318-eo8auo1f	141	3	is	be	VBZ
cord-329318-eo8auo1f	141	4	particularly	particularly	RB
cord-329318-eo8auo1f	141	5	important	important	JJ
cord-329318-eo8auo1f	141	6	to	to	TO
cord-329318-eo8auo1f	141	7	separate	separate	VB
cord-329318-eo8auo1f	141	8	the	the	DT
cord-329318-eo8auo1f	141	9	different	different	JJ
cord-329318-eo8auo1f	141	10	conformers	conformer	NNS
cord-329318-eo8auo1f	141	11	that	that	WDT
cord-329318-eo8auo1f	141	12	are	be	VBP
cord-329318-eo8auo1f	141	13	treated	treat	VBN
cord-329318-eo8auo1f	141	14	as	as	IN
cord-329318-eo8auo1f	141	15	distinct	distinct	JJ
cord-329318-eo8auo1f	141	16	molecules	molecule	NNS
cord-329318-eo8auo1f	141	17	with	with	IN
cord-329318-eo8auo1f	141	18	calculated	calculate	VBN
cord-329318-eo8auo1f	141	19	atomic	atomic	JJ
cord-329318-eo8auo1f	141	20	charges	charge	NNS
cord-329318-eo8auo1f	141	21	and	and	CC
cord-329318-eo8auo1f	141	22	COSMO	COSMO	NNP
cord-329318-eo8auo1f	141	23	-	-	HYPH
cord-329318-eo8auo1f	141	24	RS	RS	NNP
cord-329318-eo8auo1f	141	25	σ-	σ-	XX
cord-329318-eo8auo1f	142	1	The	the	DT
cord-329318-eo8auo1f	142	2	Journal	Journal	NNP
cord-329318-eo8auo1f	142	3	of	of	IN
cord-329318-eo8auo1f	142	4	Physical	Physical	NNP
cord-329318-eo8auo1f	142	5	Chemistry	Chemistry	NNP
cord-329318-eo8auo1f	142	6	Letters	Letters	NNPS
cord-329318-eo8auo1f	142	7	pubs.acs.org/JPCL	pubs.acs.org/JPCL	NNP
cord-329318-eo8auo1f	142	8	Letter	Letter	NNP
cord-329318-eo8auo1f	142	9	profiles	profile	NNS
cord-329318-eo8auo1f	142	10	rather	rather	RB
cord-329318-eo8auo1f	142	11	than	than	IN
cord-329318-eo8auo1f	142	12	with	with	IN
cord-329318-eo8auo1f	142	13	the	the	DT
cord-329318-eo8auo1f	142	14	same	same	JJ
cord-329318-eo8auo1f	142	15	set	set	NN
cord-329318-eo8auo1f	142	16	of	of	IN
cord-329318-eo8auo1f	142	17	force	force	NN
cord-329318-eo8auo1f	142	18	field	field	NN
cord-329318-eo8auo1f	142	19	parameters	parameter	NNS
cord-329318-eo8auo1f	142	20	using	use	VBG
cord-329318-eo8auo1f	142	21	descriptor	descriptor	NN
cord-329318-eo8auo1f	142	22	set	set	VBN
cord-329318-eo8auo1f	142	23	II	II	NNP
cord-329318-eo8auo1f	142	24	.	.	.
cord-329318-eo8auo1f	143	1	The	the	DT
cord-329318-eo8auo1f	143	2	superior	superior	JJ
cord-329318-eo8auo1f	143	3	performance	performance	NN
cord-329318-eo8auo1f	143	4	of	of	IN
cord-329318-eo8auo1f	143	5	proposed	propose	VBN
cord-329318-eo8auo1f	143	6	descriptor	descriptor	NN
cord-329318-eo8auo1f	143	7	set	set	VBN
cord-329318-eo8auo1f	144	1	I	-PRON-	PRP
cord-329318-eo8auo1f	144	2	exhibited	exhibit	VBD
cord-329318-eo8auo1f	144	3	by	by	IN
cord-329318-eo8auo1f	144	4	the	the	DT
cord-329318-eo8auo1f	144	5	previously	previously	RB
cord-329318-eo8auo1f	144	6	noted	note	VBN
cord-329318-eo8auo1f	144	7	enhanced	enhanced	JJ
cord-329318-eo8auo1f	144	8	clustering	clustering	NN
cord-329318-eo8auo1f	144	9	and	and	CC
cord-329318-eo8auo1f	144	10	correlation	correlation	NN
cord-329318-eo8auo1f	144	11	with	with	IN
cord-329318-eo8auo1f	144	12	the	the	DT
cord-329318-eo8auo1f	144	13	reference	reference	NN
cord-329318-eo8auo1f	144	14	conformers	conformer	NNS
cord-329318-eo8auo1f	144	15	is	be	VBZ
cord-329318-eo8auo1f	144	16	attributed	attribute	VBN
cord-329318-eo8auo1f	144	17	to	to	IN
cord-329318-eo8auo1f	144	18	the	the	DT
cord-329318-eo8auo1f	144	19	statistical	statistical	JJ
cord-329318-eo8auo1f	144	20	thermodynamics	thermodynamic	NNS
cord-329318-eo8auo1f	144	21	the	the	DT
cord-329318-eo8auo1f	144	22	COSMO	COSMO	NNP
cord-329318-eo8auo1f	144	23	-	-	HYPH
cord-329318-eo8auo1f	144	24	RS	RS	NNP
cord-329318-eo8auo1f	144	25	chemical	chemical	NN
cord-329318-eo8auo1f	144	26	potential	potential	NN
cord-329318-eo8auo1f	144	27	accounts	account	VBZ
cord-329318-eo8auo1f	144	28	for	for	IN
cord-329318-eo8auo1f	144	29	.	.	.
cord-329318-eo8auo1f	145	1	This	this	DT
cord-329318-eo8auo1f	145	2	effectively	effectively	RB
cord-329318-eo8auo1f	145	3	highlights	highlight	VBZ
cord-329318-eo8auo1f	145	4	the	the	DT
cord-329318-eo8auo1f	145	5	importance	importance	NN
cord-329318-eo8auo1f	145	6	of	of	IN
cord-329318-eo8auo1f	145	7	the	the	DT
cord-329318-eo8auo1f	145	8	COSMO	COSMO	NNP
cord-329318-eo8auo1f	145	9	-	-	HYPH
cord-329318-eo8auo1f	145	10	RS	RS	NNP
cord-329318-eo8auo1f	145	11	σ	σ	NN
cord-329318-eo8auo1f	145	12	-	-	:
cord-329318-eo8auo1f	145	13	profiles	profile	NNS
cord-329318-eo8auo1f	145	14	that	that	WDT
cord-329318-eo8auo1f	145	15	are	be	VBP
cord-329318-eo8auo1f	145	16	calculated	calculate	VBN
cord-329318-eo8auo1f	145	17	by	by	IN
cord-329318-eo8auo1f	145	18	integration	integration	NN
cord-329318-eo8auo1f	145	19	over	over	IN
cord-329318-eo8auo1f	145	20	the	the	DT
cord-329318-eo8auo1f	145	21	molecular	molecular	JJ
cord-329318-eo8auo1f	145	22	surface	surface	NN
cord-329318-eo8auo1f	145	23	,	,	,
cord-329318-eo8auo1f	145	24	account	account	VBP
cord-329318-eo8auo1f	145	25	for	for	IN
cord-329318-eo8auo1f	145	26	hydrogen	hydrogen	NN
cord-329318-eo8auo1f	145	27	bonding	bonding	NN
cord-329318-eo8auo1f	145	28	and	and	CC
cord-329318-eo8auo1f	145	29	hydrophobic	hydrophobic	JJ
cord-329318-eo8auo1f	145	30	interactions	interaction	NNS
cord-329318-eo8auo1f	145	31	,	,	,
cord-329318-eo8auo1f	145	32	and	and	CC
cord-329318-eo8auo1f	145	33	are	be	VBP
cord-329318-eo8auo1f	145	34	parametrized	parametrize	VBN
cord-329318-eo8auo1f	145	35	to	to	TO
cord-329318-eo8auo1f	145	36	reproduce	reproduce	VB
cord-329318-eo8auo1f	145	37	chemical	chemical	JJ
cord-329318-eo8auo1f	145	38	thermodynamic	thermodynamic	JJ
cord-329318-eo8auo1f	145	39	properties	property	NNS
cord-329318-eo8auo1f	145	40	.	.	.
cord-329318-eo8auo1f	146	1	42	42	CD
cord-329318-eo8auo1f	147	1	In	in	IN
cord-329318-eo8auo1f	147	2	order	order	NN
cord-329318-eo8auo1f	147	3	to	to	TO
cord-329318-eo8auo1f	147	4	enhance	enhance	VB
cord-329318-eo8auo1f	147	5	comparison	comparison	NN
cord-329318-eo8auo1f	147	6	and	and	CC
cord-329318-eo8auo1f	147	7	compensate	compensate	VB
cord-329318-eo8auo1f	147	8	for	for	IN
cord-329318-eo8auo1f	147	9	the	the	DT
cord-329318-eo8auo1f	147	10	lack	lack	NN
cord-329318-eo8auo1f	147	11	of	of	IN
cord-329318-eo8auo1f	147	12	clinical	clinical	JJ
cord-329318-eo8auo1f	147	13	trial	trial	NN
cord-329318-eo8auo1f	147	14	results	result	NNS
cord-329318-eo8auo1f	147	15	,	,	,
cord-329318-eo8auo1f	147	16	we	-PRON-	PRP
cord-329318-eo8auo1f	147	17	also	also	RB
cord-329318-eo8auo1f	147	18	perform	perform	VBP
cord-329318-eo8auo1f	147	19	LibDock	LibDock	NNP
cord-329318-eo8auo1f	147	20	analysis	analysis	NN
cord-329318-eo8auo1f	147	21	for	for	IN
cord-329318-eo8auo1f	147	22	the	the	DT
cord-329318-eo8auo1f	147	23	22	22	CD
cord-329318-eo8auo1f	147	24	pyrimidine	pyrimidine	NN
cord-329318-eo8auo1f	147	25	and	and	CC
cord-329318-eo8auo1f	147	26	purine	purine	NN
cord-329318-eo8auo1f	147	27	nucleotides	nucleotide	NNS
cord-329318-eo8auo1f	147	28	and	and	CC
cord-329318-eo8auo1f	147	29	analogue	analogue	JJ
cord-329318-eo8auo1f	147	30	drugs	drug	NNS
cord-329318-eo8auo1f	147	31	.	.	.
cord-329318-eo8auo1f	148	1	The	the	DT
cord-329318-eo8auo1f	148	2	site	site	NN
cord-329318-eo8auo1f	148	3	-	-	HYPH
cord-329318-eo8auo1f	148	4	features	features	NN
cord-329318-eo8auo1f	148	5	docking	docking	NN
cord-329318-eo8auo1f	148	6	algorithm	algorithm	NN
cord-329318-eo8auo1f	148	7	LibDock	LibDock	NNP
cord-329318-eo8auo1f	148	8	performs	perform	VBZ
cord-329318-eo8auo1f	148	9	as	as	RB
cord-329318-eo8auo1f	148	10	well	well	RB
cord-329318-eo8auo1f	148	11	as	as	IN
cord-329318-eo8auo1f	148	12	docking	docking	NN
cord-329318-eo8auo1f	148	13	programs	program	NNS
cord-329318-eo8auo1f	148	14	based	base	VBN
cord-329318-eo8auo1f	148	15	on	on	IN
cord-329318-eo8auo1f	148	16	genetic	genetic	JJ
cord-329318-eo8auo1f	148	17	/	/	SYM
cord-329318-eo8auo1f	148	18	growing	growing	NN
cord-329318-eo8auo1f	148	19	and	and	CC
cord-329318-eo8auo1f	148	20	Monte	Monte	NNP
cord-329318-eo8auo1f	148	21	Carlo	Carlo	NNP
cord-329318-eo8auo1f	148	22	driven	drive	VBD
cord-329318-eo8auo1f	148	23	algorithms	algorithm	NNS
cord-329318-eo8auo1f	148	24	.	.	.
cord-329318-eo8auo1f	149	1	49	49	CD
cord-329318-eo8auo1f	150	1	Of	of	RB
cord-329318-eo8auo1f	150	2	course	course	RB
cord-329318-eo8auo1f	150	3	,	,	,
cord-329318-eo8auo1f	150	4	a	a	DT
cord-329318-eo8auo1f	150	5	good	good	JJ
cord-329318-eo8auo1f	150	6	docking	docking	NN
cord-329318-eo8auo1f	150	7	score	score	NN
cord-329318-eo8auo1f	150	8	does	do	VBZ
cord-329318-eo8auo1f	150	9	not	not	RB
cord-329318-eo8auo1f	150	10	necessarily	necessarily	RB
cord-329318-eo8auo1f	150	11	mean	mean	VB
cord-329318-eo8auo1f	150	12	that	that	IN
cord-329318-eo8auo1f	150	13	the	the	DT
cord-329318-eo8auo1f	150	14	ligand	ligand	NN
cord-329318-eo8auo1f	150	15	is	be	VBZ
cord-329318-eo8auo1f	150	16	a	a	DT
cord-329318-eo8auo1f	150	17	good	good	JJ
cord-329318-eo8auo1f	150	18	inhibitor	inhibitor	NN
cord-329318-eo8auo1f	150	19	,	,	,
cord-329318-eo8auo1f	150	20	but	but	CC
cord-329318-eo8auo1f	150	21	only	only	RB
cord-329318-eo8auo1f	150	22	a	a	DT
cord-329318-eo8auo1f	150	23	good	good	JJ
cord-329318-eo8auo1f	150	24	candidate	candidate	NN
cord-329318-eo8auo1f	150	25	for	for	IN
cord-329318-eo8auo1f	150	26	potential	potential	JJ
cord-329318-eo8auo1f	150	27	drug	drug	NN
cord-329318-eo8auo1f	150	28	selection	selection	NN
cord-329318-eo8auo1f	150	29	.	.	.
cord-329318-eo8auo1f	151	1	In	in	IN
cord-329318-eo8auo1f	151	2	Figure	Figure	NNP
cord-329318-eo8auo1f	151	3	3	3	CD
cord-329318-eo8auo1f	151	4	,	,	,
cord-329318-eo8auo1f	151	5	we	-PRON-	PRP
cord-329318-eo8auo1f	151	6	(	(	-LRB-
cord-329318-eo8auo1f	151	7	Table	Table	NNP
cord-329318-eo8auo1f	151	8	2	2	CD
cord-329318-eo8auo1f	151	9	)	)	-RRB-
cord-329318-eo8auo1f	151	10	.	.	.
cord-329318-eo8auo1f	152	1	(	(	-LRB-
cord-329318-eo8auo1f	152	2	green	green	JJ
cord-329318-eo8auo1f	152	3	squares	square	NNS
cord-329318-eo8auo1f	152	4	,	,	,
cord-329318-eo8auo1f	152	5	remdesivir	remdesivir	NNP
cord-329318-eo8auo1f	152	6	;	;	:
cord-329318-eo8auo1f	152	7	green	green	JJ
cord-329318-eo8auo1f	152	8	diamonds	diamond	NNS
cord-329318-eo8auo1f	152	9	,	,	,
cord-329318-eo8auo1f	152	10	EIDD-2801	eidd-2801	NN
cord-329318-eo8auo1f	152	11	;	;	,
cord-329318-eo8auo1f	152	12	green	green	JJ
cord-329318-eo8auo1f	152	13	circles	circle	NNS
cord-329318-eo8auo1f	152	14	,	,	,
cord-329318-eo8auo1f	152	15	AMP	amp	NN
cord-329318-eo8auo1f	152	16	;	;	:
cord-329318-eo8auo1f	152	17	yellow	yellow	JJ
cord-329318-eo8auo1f	152	18	squares	square	NNS
cord-329318-eo8auo1f	152	19	,	,	,
cord-329318-eo8auo1f	152	20	GMP	GMP	NNP
cord-329318-eo8auo1f	152	21	;	;	:
cord-329318-eo8auo1f	152	22	yello	yello	NNP
cord-329318-eo8auo1f	152	23	triangles	triangles	NNPS
cord-329318-eo8auo1f	152	24	,	,	,
cord-329318-eo8auo1f	152	25	IDX-184	IDX-184	NNP
cord-329318-eo8auo1f	152	26	;	;	:
cord-329318-eo8auo1f	152	27	yello	yello	NNP
cord-329318-eo8auo1f	152	28	circles	circles	NNP
cord-329318-eo8auo1f	152	29	,	,	,
cord-329318-eo8auo1f	152	30	mizobirine	mizobirine	NN
cord-329318-eo8auo1f	152	31	;	;	,
cord-329318-eo8auo1f	152	32	blue	blue	JJ
cord-329318-eo8auo1f	152	33	squares	square	NNS
cord-329318-eo8auo1f	152	34	,	,	,
cord-329318-eo8auo1f	152	35	ribavirin	ribavirin	NNS
cord-329318-eo8auo1f	152	36	,	,	,
cord-329318-eo8auo1f	152	37	penciclovir	penciclovir	NNP
cord-329318-eo8auo1f	152	38	,	,	,
cord-329318-eo8auo1f	152	39	acyclovir	acyclovir	NNP
cord-329318-eo8auo1f	152	40	;	;	:
cord-329318-eo8auo1f	152	41	red	red	JJ
cord-329318-eo8auo1f	152	42	circles	circle	NNS
cord-329318-eo8auo1f	152	43	,	,	,
cord-329318-eo8auo1f	152	44	remaining	remain	VBG
cord-329318-eo8auo1f	152	45	drugs	drug	NNS
cord-329318-eo8auo1f	152	46	and	and	CC
cord-329318-eo8auo1f	152	47	nucleotides	nucleotide	NNS
cord-329318-eo8auo1f	152	48	.	.	.
cord-329318-eo8auo1f	152	49	)	)	-RRB-
cord-329318-eo8auo1f	153	1	Figure	figure	NN
cord-329318-eo8auo1f	153	2	3a	3a	CD
cord-329318-eo8auo1f	153	3	)	)	-RRB-
cord-329318-eo8auo1f	153	4	dock	dock	VB
cord-329318-eo8auo1f	153	5	around	around	IN
cord-329318-eo8auo1f	153	6	an	an	DT
cord-329318-eo8auo1f	153	7	active	active	JJ
cord-329318-eo8auo1f	153	8	site	site	NN
cord-329318-eo8auo1f	153	9	of	of	IN
cord-329318-eo8auo1f	153	10	RdRp	RdRp	NNP
cord-329318-eo8auo1f	153	11	and	and	CC
cord-329318-eo8auo1f	153	12	have	have	VBP
cord-329318-eo8auo1f	153	13	high	high	JJ
cord-329318-eo8auo1f	153	14	LibDock	LibDock	NNP
cord-329318-eo8auo1f	153	15	scores	score	NNS
cord-329318-eo8auo1f	153	16	(	(	-LRB-
cord-329318-eo8auo1f	153	17	Figure	figure	NN
cord-329318-eo8auo1f	153	18	3b	3b	CD
cord-329318-eo8auo1f	153	19	)	)	-RRB-
cord-329318-eo8auo1f	153	20	.	.	.
cord-329318-eo8auo1f	154	1	The	the	DT
cord-329318-eo8auo1f	154	2	results	result	NNS
cord-329318-eo8auo1f	154	3	also	also	RB
cord-329318-eo8auo1f	154	4	show	show	VBP
cord-329318-eo8auo1f	154	5	some	some	DT
cord-329318-eo8auo1f	154	6	agreement	agreement	NN
cord-329318-eo8auo1f	154	7	with	with	IN
cord-329318-eo8auo1f	154	8	the	the	DT
cord-329318-eo8auo1f	154	9	PCA	PCA	NNP
cord-329318-eo8auo1f	154	10	plot	plot	NN
cord-329318-eo8auo1f	154	11	(	(	-LRB-
cord-329318-eo8auo1f	154	12	Figure	figure	NN
cord-329318-eo8auo1f	154	13	2	2	CD
cord-329318-eo8auo1f	154	14	)	)	-RRB-
cord-329318-eo8auo1f	154	15	.	.	.
cord-329318-eo8auo1f	155	1	Penciclovir	Penciclovir	NNP
cord-329318-eo8auo1f	155	2	,	,	,
cord-329318-eo8auo1f	155	3	ribavirin	ribavirin	RB
cord-329318-eo8auo1f	155	4	,	,	,
cord-329318-eo8auo1f	155	5	and	and	CC
cord-329318-eo8auo1f	155	6	the	the	DT
cord-329318-eo8auo1f	155	7	nucleotide	nucleotide	JJ
cord-329318-eo8auo1f	155	8	GMP	GMP	NNP
cord-329318-eo8auo1f	155	9	have	have	VBP
cord-329318-eo8auo1f	155	10	the	the	DT
cord-329318-eo8auo1f	155	11	highest	high	JJS
cord-329318-eo8auo1f	155	12	LibDock	LibDock	NNP
cord-329318-eo8auo1f	155	13	scores	score	NNS
cord-329318-eo8auo1f	155	14	,	,	,
cord-329318-eo8auo1f	155	15	followed	follow	VBN
cord-329318-eo8auo1f	155	16	by	by	IN
cord-329318-eo8auo1f	155	17	acyclovir	acyclovir	NNP
cord-329318-eo8auo1f	155	18	and	and	CC
cord-329318-eo8auo1f	155	19	the	the	DT
cord-329318-eo8auo1f	155	20	nucleotide	nucleotide	JJ
cord-329318-eo8auo1f	155	21	CMP	CMP	NNP
cord-329318-eo8auo1f	155	22	.	.	.
cord-329318-eo8auo1f	156	1	Among	among	IN
cord-329318-eo8auo1f	156	2	these	these	DT
cord-329318-eo8auo1f	156	3	,	,	,
cord-329318-eo8auo1f	156	4	only	only	RB
cord-329318-eo8auo1f	156	5	the	the	DT
cord-329318-eo8auo1f	156	6	nucleotide	nucleotide	JJ
cord-329318-eo8auo1f	156	7	GMP	GMP	NNP
cord-329318-eo8auo1f	156	8	is	be	VBZ
cord-329318-eo8auo1f	156	9	correlated	correlate	VBN
cord-329318-eo8auo1f	156	10	well	well	RB
cord-329318-eo8auo1f	156	11	with	with	IN
cord-329318-eo8auo1f	156	12	the	the	DT
cord-329318-eo8auo1f	156	13	reference	reference	NN
cord-329318-eo8auo1f	156	14	conformers	conformer	NNS
cord-329318-eo8auo1f	156	15	including	include	VBG
cord-329318-eo8auo1f	156	16	AMP	AMP	NNP
cord-329318-eo8auo1f	156	17	,	,	,
cord-329318-eo8auo1f	156	18	based	base	VBN
cord-329318-eo8auo1f	156	19	on	on	IN
cord-329318-eo8auo1f	156	20	the	the	DT
cord-329318-eo8auo1f	156	21	PCA	PCA	NNP
cord-329318-eo8auo1f	156	22	in	in	IN
cord-329318-eo8auo1f	156	23	Figure	Figure	NNP
cord-329318-eo8auo1f	156	24	2a	2a	CD
cord-329318-eo8auo1f	156	25	,	,	,
cord-329318-eo8auo1f	156	26	but	but	CC
cord-329318-eo8auo1f	156	27	the	the	DT
cord-329318-eo8auo1f	156	28	LibDock	LibDock	NNP
cord-329318-eo8auo1f	156	29	score	score	NN
cord-329318-eo8auo1f	156	30	of	of	IN
cord-329318-eo8auo1f	156	31	AMP	AMP	NNP
cord-329318-eo8auo1f	156	32	is	be	VBZ
cord-329318-eo8auo1f	156	33	low	low	JJ
cord-329318-eo8auo1f	156	34	.	.	.
cord-329318-eo8auo1f	157	1	The	the	DT
cord-329318-eo8auo1f	157	2	drugs	drug	NNS
cord-329318-eo8auo1f	157	3	ribavirin	ribavirin	RB
cord-329318-eo8auo1f	157	4	,	,	,
cord-329318-eo8auo1f	157	5	penciclovir	penciclovir	NNP
cord-329318-eo8auo1f	157	6	,	,	,
cord-329318-eo8auo1f	157	7	and	and	CC
cord-329318-eo8auo1f	157	8	acyclovir	acyclovir	NNP
cord-329318-eo8auo1f	158	1	,	,	,
cord-329318-eo8auo1f	158	2	anticipated	anticipate	VBN
cord-329318-eo8auo1f	158	3	to	to	TO
cord-329318-eo8auo1f	158	4	have	have	VB
cord-329318-eo8auo1f	158	5	some	some	DT
cord-329318-eo8auo1f	158	6	inhibition	inhibition	NN
cord-329318-eo8auo1f	158	7	activity	activity	NN
cord-329318-eo8auo1f	158	8	based	base	VBN
cord-329318-eo8auo1f	158	9	on	on	IN
cord-329318-eo8auo1f	158	10	the	the	DT
cord-329318-eo8auo1f	158	11	LibDock	LibDock	NNP
cord-329318-eo8auo1f	158	12	score	score	NN
cord-329318-eo8auo1f	158	13	,	,	,
cord-329318-eo8auo1f	158	14	are	be	VBP
cord-329318-eo8auo1f	158	15	weakly	weakly	RB
cord-329318-eo8auo1f	158	16	correlated	correlate	VBN
cord-329318-eo8auo1f	158	17	with	with	IN
cord-329318-eo8auo1f	158	18	the	the	DT
cord-329318-eo8auo1f	158	19	reference	reference	NN
cord-329318-eo8auo1f	158	20	conformers	conformer	NNS
cord-329318-eo8auo1f	158	21	group	group	NN
cord-329318-eo8auo1f	158	22	,	,	,
cord-329318-eo8auo1f	158	23	based	base	VBN
cord-329318-eo8auo1f	158	24	on	on	IN
cord-329318-eo8auo1f	158	25	the	the	DT
cord-329318-eo8auo1f	158	26	PCA	PCA	NNP
cord-329318-eo8auo1f	158	27	(	(	-LRB-
cord-329318-eo8auo1f	158	28	Figure	figure	NN
cord-329318-eo8auo1f	158	29	2a	2a	CD
cord-329318-eo8auo1f	158	30	)	)	-RRB-
cord-329318-eo8auo1f	158	31	.	.	.
cord-329318-eo8auo1f	159	1	Clearly	clearly	RB
cord-329318-eo8auo1f	159	2	,	,	,
cord-329318-eo8auo1f	159	3	the	the	DT
cord-329318-eo8auo1f	159	4	difference	difference	NN
cord-329318-eo8auo1f	159	5	between	between	IN
cord-329318-eo8auo1f	159	6	PCA	PCA	NNP
cord-329318-eo8auo1f	159	7	and	and	CC
cord-329318-eo8auo1f	159	8	docking	docking	NN
cord-329318-eo8auo1f	159	9	results	result	NNS
cord-329318-eo8auo1f	159	10	could	could	MD
cord-329318-eo8auo1f	159	11	be	be	VB
cord-329318-eo8auo1f	159	12	attributed	attribute	VBN
cord-329318-eo8auo1f	159	13	to	to	IN
cord-329318-eo8auo1f	159	14	the	the	DT
cord-329318-eo8auo1f	159	15	chemical	chemical	NN
cord-329318-eo8auo1f	159	16	thermodynamics	thermodynamic	NNS
cord-329318-eo8auo1f	159	17	properties	property	NNS
cord-329318-eo8auo1f	159	18	accounted	account	VBD
cord-329318-eo8auo1f	159	19	for	for	IN
cord-329318-eo8auo1f	159	20	by	by	IN
cord-329318-eo8auo1f	159	21	descriptor	descriptor	NN
cord-329318-eo8auo1f	159	22	set	set	VBN
cord-329318-eo8auo1f	159	23	I.	i.	NN
cord-329318-eo8auo1f	160	1	The	the	DT
cord-329318-eo8auo1f	160	2	ML	ML	NNP
cord-329318-eo8auo1f	160	3	results	result	NNS
cord-329318-eo8auo1f	160	4	include	include	VBP
cord-329318-eo8auo1f	160	5	additional	additional	JJ
cord-329318-eo8auo1f	160	6	information	information	NN
cord-329318-eo8auo1f	160	7	not	not	RB
cord-329318-eo8auo1f	160	8	only	only	RB
cord-329318-eo8auo1f	160	9	about	about	IN
cord-329318-eo8auo1f	160	10	complex	complex	JJ
cord-329318-eo8auo1f	160	11	processes	process	NNS
cord-329318-eo8auo1f	160	12	but	but	CC
cord-329318-eo8auo1f	160	13	also	also	RB
cord-329318-eo8auo1f	160	14	about	about	IN
cord-329318-eo8auo1f	160	15	the	the	DT
cord-329318-eo8auo1f	160	16	interactions	interaction	NNS
cord-329318-eo8auo1f	160	17	in	in	IN
cord-329318-eo8auo1f	160	18	the	the	DT
cord-329318-eo8auo1f	160	19	real	real	JJ
cord-329318-eo8auo1f	160	20	system	system	NN
cord-329318-eo8auo1f	160	21	.	.	.
cord-329318-eo8auo1f	161	1	A	a	DT
cord-329318-eo8auo1f	161	2	novel	novel	NN
cord-329318-eo8auo1f	161	3	set	set	NN
cord-329318-eo8auo1f	161	4	of	of	IN
cord-329318-eo8auo1f	161	5	descriptors	descriptor	NNS
cord-329318-eo8auo1f	161	6	based	base	VBN
cord-329318-eo8auo1f	161	7	on	on	IN
cord-329318-eo8auo1f	161	8	COSMO	COSMO	NNP
cord-329318-eo8auo1f	161	9	-	-	HYPH
cord-329318-eo8auo1f	161	10	RS	RS	NNP
cord-329318-eo8auo1f	161	11	σ	σ	NN
cord-329318-eo8auo1f	161	12	-	-	HYPH
cord-329318-eo8auo1f	161	13	profiles	profile	NNS
cord-329318-eo8auo1f	161	14	and	and	CC
cord-329318-eo8auo1f	161	15	chemical	chemical	NN
cord-329318-eo8auo1f	161	16	thermodynamics	thermodynamic	NNS
cord-329318-eo8auo1f	161	17	is	be	VBZ
cord-329318-eo8auo1f	161	18	proposed	propose	VBN
cord-329318-eo8auo1f	161	19	and	and	CC
cord-329318-eo8auo1f	161	20	evaluated	evaluate	VBN
cord-329318-eo8auo1f	161	21	using	use	VBG
cord-329318-eo8auo1f	161	22	PCA	PCA	NNP
cord-329318-eo8auo1f	161	23	for	for	IN
cord-329318-eo8auo1f	161	24	the	the	DT
cord-329318-eo8auo1f	161	25	initial	initial	JJ
cord-329318-eo8auo1f	161	26	screening	screening	NN
cord-329318-eo8auo1f	161	27	of	of	IN
cord-329318-eo8auo1f	161	28	a	a	DT
cord-329318-eo8auo1f	161	29	series	series	NN
cord-329318-eo8auo1f	161	30	of	of	IN
cord-329318-eo8auo1f	161	31	nucleotides	nucleotide	NNS
cord-329318-eo8auo1f	161	32	and	and	CC
cord-329318-eo8auo1f	161	33	nucleotide	nucleotide	JJ
cord-329318-eo8auo1f	161	34	-	-	HYPH
cord-329318-eo8auo1f	161	35	analog	analog	NN
cord-329318-eo8auo1f	161	36	RdRp	RdRp	NNP
cord-329318-eo8auo1f	161	37	replication	replication	NN
cord-329318-eo8auo1f	161	38	inhibitor	inhibitor	NN
cord-329318-eo8auo1f	161	39	drugs	drug	NNS
cord-329318-eo8auo1f	161	40	to	to	TO
cord-329318-eo8auo1f	161	41	help	help	VB
cord-329318-eo8auo1f	161	42	accelerate	accelerate	VB
cord-329318-eo8auo1f	161	43	the	the	DT
cord-329318-eo8auo1f	161	44	discovery	discovery	NN
cord-329318-eo8auo1f	161	45	of	of	IN
cord-329318-eo8auo1f	161	46	COVID-19	COVID-19	NNP
cord-329318-eo8auo1f	161	47	treatments	treatment	NNS
cord-329318-eo8auo1f	161	48	.	.	.
cord-329318-eo8auo1f	162	1	The	the	DT
cord-329318-eo8auo1f	162	2	proposed	propose	VBN
cord-329318-eo8auo1f	162	3	descriptor	descriptor	NN
cord-329318-eo8auo1f	162	4	set	set	NN
cord-329318-eo8auo1f	162	5	that	that	WDT
cord-329318-eo8auo1f	162	6	accounts	account	VBZ
cord-329318-eo8auo1f	162	7	for	for	IN
cord-329318-eo8auo1f	162	8	chemical	chemical	JJ
cord-329318-eo8auo1f	162	9	thermodynamics	thermodynamic	NNS
cord-329318-eo8auo1f	162	10	in	in	IN
cord-329318-eo8auo1f	162	11	addition	addition	NN
cord-329318-eo8auo1f	162	12	to	to	IN
cord-329318-eo8auo1f	162	13	molecular	molecular	JJ
cord-329318-eo8auo1f	162	14	structure	structure	NN
cord-329318-eo8auo1f	162	15	and	and	CC
cord-329318-eo8auo1f	162	16	features	feature	VBZ
cord-329318-eo8auo1f	162	17	descriptors	descriptor	NNS
cord-329318-eo8auo1f	162	18	with	with	IN
cord-329318-eo8auo1f	162	19	low	low	JJ
cord-329318-eo8auo1f	162	20	degeneracy	degeneracy	NN
cord-329318-eo8auo1f	162	21	is	be	VBZ
cord-329318-eo8auo1f	162	22	evaluated	evaluate	VBN
cord-329318-eo8auo1f	162	23	with	with	IN
cord-329318-eo8auo1f	162	24	respect	respect	NN
cord-329318-eo8auo1f	162	25	to	to	IN
cord-329318-eo8auo1f	162	26	a	a	DT
cord-329318-eo8auo1f	162	27	commonly	commonly	RB
cord-329318-eo8auo1f	162	28	used	use	VBN
cord-329318-eo8auo1f	162	29	descriptor	descriptor	NN
cord-329318-eo8auo1f	162	30	set	set	VBN
cord-329318-eo8auo1f	162	31	based	base	VBN
cord-329318-eo8auo1f	162	32	on	on	IN
cord-329318-eo8auo1f	162	33	molecular	molecular	JJ
cord-329318-eo8auo1f	162	34	structure	structure	NN
cord-329318-eo8auo1f	162	35	alone	alone	RB
cord-329318-eo8auo1f	162	36	and	and	CC
cord-329318-eo8auo1f	162	37	a	a	DT
cord-329318-eo8auo1f	162	38	molecular	molecular	JJ
cord-329318-eo8auo1f	162	39	docking	docking	NN
cord-329318-eo8auo1f	162	40	algorithm	algorithm	NN
cord-329318-eo8auo1f	162	41	.	.	.
cord-329318-eo8auo1f	163	1	The	the	DT
cord-329318-eo8auo1f	163	2	PCA	PCA	NNP
cord-329318-eo8auo1f	163	3	results	result	NNS
cord-329318-eo8auo1f	163	4	show	show	VBP
cord-329318-eo8auo1f	163	5	that	that	IN
cord-329318-eo8auo1f	163	6	the	the	DT
cord-329318-eo8auo1f	163	7	novel	novel	NN
cord-329318-eo8auo1f	163	8	σ	σ	NN
cord-329318-eo8auo1f	163	9	-	-	HYPH
cord-329318-eo8auo1f	163	10	profile	profile	NN
cord-329318-eo8auo1f	163	11	-	-	HYPH
cord-329318-eo8auo1f	163	12	based	base	VBN
cord-329318-eo8auo1f	163	13	descriptor	descriptor	NN
cord-329318-eo8auo1f	163	14	set	set	VBN
cord-329318-eo8auo1f	163	15	I	-PRON-	PRP
cord-329318-eo8auo1f	163	16	clearly	clearly	RB
cord-329318-eo8auo1f	163	17	correlates	correlate	VBZ
cord-329318-eo8auo1f	163	18	the	the	DT
cord-329318-eo8auo1f	163	19	leading	lead	VBG
cord-329318-eo8auo1f	163	20	COVID-19	COVID-19	NNP
cord-329318-eo8auo1f	163	21	drugs	drug	NNS
cord-329318-eo8auo1f	163	22	remdesivir	remdesivir	NNP
cord-329318-eo8auo1f	163	23	and	and	CC
cord-329318-eo8auo1f	163	24	EIDD-2801	EIDD-2801	NNP
cord-329318-eo8auo1f	163	25	in	in	IN
cord-329318-eo8auo1f	163	26	monophosphate	monophosphate	NN
cord-329318-eo8auo1f	163	27	forms	form	NNS
cord-329318-eo8auo1f	163	28	and	and	CC
cord-329318-eo8auo1f	163	29	highlights	highlight	VBZ
cord-329318-eo8auo1f	163	30	weaker	weak	JJR
cord-329318-eo8auo1f	163	31	correlations	correlation	NNS
cord-329318-eo8auo1f	163	32	with	with	IN
cord-329318-eo8auo1f	163	33	drugs	drug	NNS
cord-329318-eo8auo1f	163	34	that	that	WDT
cord-329318-eo8auo1f	163	35	have	have	VBP
cord-329318-eo8auo1f	163	36	been	be	VBN
cord-329318-eo8auo1f	163	37	reported	report	VBN
cord-329318-eo8auo1f	163	38	to	to	TO
cord-329318-eo8auo1f	163	39	exhibit	exhibit	VB
cord-329318-eo8auo1f	163	40	anti	anti	JJ
cord-329318-eo8auo1f	163	41	-	-	JJ
cord-329318-eo8auo1f	163	42	SARS	SARS	NNP
cord-329318-eo8auo1f	163	43	-	-	HYPH
cord-329318-eo8auo1f	163	44	CoV-2	CoV-2	NNP
cord-329318-eo8auo1f	163	45	activity	activity	NN
cord-329318-eo8auo1f	163	46	.	.	.
cord-329318-eo8auo1f	164	1	The	the	DT
cord-329318-eo8auo1f	164	2	comparison	comparison	NN
cord-329318-eo8auo1f	164	3	shows	show	VBZ
cord-329318-eo8auo1f	164	4	that	that	IN
cord-329318-eo8auo1f	164	5	the	the	DT
cord-329318-eo8auo1f	164	6	proposed	propose	VBN
cord-329318-eo8auo1f	164	7	descriptor	descriptor	NN
cord-329318-eo8auo1f	164	8	set	set	NN
cord-329318-eo8auo1f	164	9	is	be	VBZ
cord-329318-eo8auo1f	164	10	superior	superior	JJ
cord-329318-eo8auo1f	164	11	to	to	IN
cord-329318-eo8auo1f	165	1	both	both	DT
cord-329318-eo8auo1f	165	2	the	the	DT
cord-329318-eo8auo1f	165	3	commonly	commonly	RB
cord-329318-eo8auo1f	165	4	used	use	VBN
cord-329318-eo8auo1f	165	5	descriptor	descriptor	NN
cord-329318-eo8auo1f	165	6	set	set	VBN
cord-329318-eo8auo1f	165	7	II	II	NNP
cord-329318-eo8auo1f	165	8	and	and	CC
cord-329318-eo8auo1f	165	9	molecular	molecular	JJ
cord-329318-eo8auo1f	165	10	docking	docking	NN
cord-329318-eo8auo1f	165	11	scores	score	NNS
cord-329318-eo8auo1f	165	12	.	.	.
cord-329318-eo8auo1f	166	1	The	the	DT
cord-329318-eo8auo1f	166	2	presented	present	VBN
cord-329318-eo8auo1f	166	3	approach	approach	NN
cord-329318-eo8auo1f	166	4	for	for	IN
cord-329318-eo8auo1f	166	5	conducting	conduct	VBG
cord-329318-eo8auo1f	166	6	drug	drug	NN
cord-329318-eo8auo1f	166	7	screening	screening	NN
cord-329318-eo8auo1f	166	8	by	by	IN
cord-329318-eo8auo1f	166	9	using	use	VBG
cord-329318-eo8auo1f	166	10	COSMO	COSMO	NNP
cord-329318-eo8auo1f	166	11	-	-	HYPH
cord-329318-eo8auo1f	166	12	RS	rs	NN
cord-329318-eo8auo1f	166	13	-	-	HYPH
cord-329318-eo8auo1f	166	14	based	base	VBN
cord-329318-eo8auo1f	166	15	descriptors	descriptor	NNS
cord-329318-eo8auo1f	166	16	and	and	CC
cord-329318-eo8auo1f	166	17	ML	ML	NNP
cord-329318-eo8auo1f	166	18	can	can	MD
cord-329318-eo8auo1f	166	19	be	be	VB
cord-329318-eo8auo1f	166	20	further	further	RB
cord-329318-eo8auo1f	166	21	augmented	augment	VBN
cord-329318-eo8auo1f	166	22	by	by	IN
cord-329318-eo8auo1f	166	23	taking	take	VBG
cord-329318-eo8auo1f	166	24	into	into	IN
cord-329318-eo8auo1f	166	25	account	account	NN
cord-329318-eo8auo1f	166	26	(	(	-LRB-
cord-329318-eo8auo1f	166	27	pre)clinical	pre)clinical	JJ
cord-329318-eo8auo1f	166	28	trial	trial	NN
cord-329318-eo8auo1f	166	29	result	result	NN
cord-329318-eo8auo1f	166	30	-	-	HYPH
cord-329318-eo8auo1f	166	31	based	base	VBN
cord-329318-eo8auo1f	166	32	descriptors	descriptor	NNS
cord-329318-eo8auo1f	166	33	.	.	.
cord-329318-eo8auo1f	167	1	In	in	IN
cord-329318-eo8auo1f	167	2	addition	addition	NN
cord-329318-eo8auo1f	167	3	,	,	,
cord-329318-eo8auo1f	167	4	the	the	DT
cord-329318-eo8auo1f	167	5	proposed	propose	VBN
cord-329318-eo8auo1f	167	6	set	set	NN
cord-329318-eo8auo1f	167	7	of	of	IN
cord-329318-eo8auo1f	167	8	descriptors	descriptor	NNS
cord-329318-eo8auo1f	167	9	can	can	MD
cord-329318-eo8auo1f	167	10	be	be	VB
cord-329318-eo8auo1f	167	11	further	further	RB
cord-329318-eo8auo1f	167	12	enhanced	enhance	VBN
cord-329318-eo8auo1f	167	13	based	base	VBN
cord-329318-eo8auo1f	167	14	on	on	IN
cord-329318-eo8auo1f	167	15	the	the	DT
cord-329318-eo8auo1f	167	16	target	target	NN
cord-329318-eo8auo1f	167	17	,	,	,
cord-329318-eo8auo1f	167	18	and	and	CC
cord-329318-eo8auo1f	167	19	combinations	combination	NNS
cord-329318-eo8auo1f	167	20	of	of	IN
cord-329318-eo8auo1f	167	21	antiviral	antiviral	JJ
cord-329318-eo8auo1f	167	22	drugs	drug	NNS
cord-329318-eo8auo1f	167	23	can	can	MD
cord-329318-eo8auo1f	167	24	be	be	VB
cord-329318-eo8auo1f	167	25	evaluated	evaluate	VBN
cord-329318-eo8auo1f	167	26	and	and	CC
cord-329318-eo8auo1f	167	27	optimized	optimize	VBN
cord-329318-eo8auo1f	167	28	to	to	TO
cord-329318-eo8auo1f	167	29	continue	continue	VB
cord-329318-eo8auo1f	167	30	improving	improve	VBG
cord-329318-eo8auo1f	167	31	COVID-19	covid-19	JJ
cord-329318-eo8auo1f	167	32	treatments	treatment	NNS
cord-329318-eo8auo1f	167	33	.	.	.
cord-329318-eo8auo1f	167	34	 	 	_SP
cord-329318-eo8auo1f	168	1	Timeline	Timeline	NNP
cord-329318-eo8auo1f	168	2	-COVID-19	-COVID-19	NNP
cord-329318-eo8auo1f	169	1	Origin	origin	NN
cord-329318-eo8auo1f	169	2	and	and	CC
cord-329318-eo8auo1f	169	3	evolution	evolution	NN
cord-329318-eo8auo1f	169	4	of	of	IN
cord-329318-eo8auo1f	169	5	pathogenic	pathogenic	JJ
cord-329318-eo8auo1f	169	6	coronaviruses	coronaviruse	NNS
cord-329318-eo8auo1f	170	1	The	the	DT
cord-329318-eo8auo1f	170	2	origin	origin	NN
cord-329318-eo8auo1f	170	3	,	,	,
cord-329318-eo8auo1f	170	4	transmission	transmission	NN
cord-329318-eo8auo1f	170	5	and	and	CC
cord-329318-eo8auo1f	170	6	clinical	clinical	JJ
cord-329318-eo8auo1f	170	7	therapies	therapy	NNS
cord-329318-eo8auo1f	170	8	on	on	IN
cord-329318-eo8auo1f	170	9	coronavirus	coronavirus	NN
cord-329318-eo8auo1f	170	10	disease	disease	NN
cord-329318-eo8auo1f	170	11	2019	2019	CD
cord-329318-eo8auo1f	170	12	(	(	-LRB-
cord-329318-eo8auo1f	170	13	COVID-19	COVID-19	NNP
cord-329318-eo8auo1f	170	14	)	)	-RRB-
cord-329318-eo8auo1f	170	15	outbreak	outbreak	NN
cord-329318-eo8auo1f	170	16	−	−	CD
cord-329318-eo8auo1f	171	1	an	an	DT
cord-329318-eo8auo1f	171	2	update	update	NN
cord-329318-eo8auo1f	171	3	on	on	IN
cord-329318-eo8auo1f	171	4	the	the	DT
cord-329318-eo8auo1f	171	5	status	status	NN
cord-329318-eo8auo1f	171	6	Global	global	JJ
cord-329318-eo8auo1f	171	7	coalition	coalition	NN
cord-329318-eo8auo1f	171	8	to	to	TO
cord-329318-eo8auo1f	171	9	accelerate	accelerate	VB
cord-329318-eo8auo1f	171	10	COVID-19	COVID-19	NNP
cord-329318-eo8auo1f	171	11	clinical	clinical	JJ
cord-329318-eo8auo1f	171	12	research	research	NN
cord-329318-eo8auo1f	171	13	in	in	IN
cord-329318-eo8auo1f	171	14	resource	resource	NN
cord-329318-eo8auo1f	171	15	-	-	HYPH
cord-329318-eo8auo1f	171	16	limited	limit	VBN
cord-329318-eo8auo1f	171	17	settings	setting	NNS
cord-329318-eo8auo1f	172	1	While	while	IN
cord-329318-eo8auo1f	172	2	We	-PRON-	PRP
cord-329318-eo8auo1f	172	3	Wait	wait	VBP
cord-329318-eo8auo1f	172	4	for	for	IN
cord-329318-eo8auo1f	172	5	a	a	DT
cord-329318-eo8auo1f	172	6	Vaccine	vaccine	NN
cord-329318-eo8auo1f	172	7	Against	against	IN
cord-329318-eo8auo1f	172	8	SARS	SARS	NNP
cord-329318-eo8auo1f	172	9	-	-	HYPH
cord-329318-eo8auo1f	172	10	CoV-2	CoV-2	NNP
cord-329318-eo8auo1f	172	11	,	,	,
cord-329318-eo8auo1f	172	12	Why	why	WRB
cord-329318-eo8auo1f	172	13	Not	not	RB
cord-329318-eo8auo1f	172	14	Think	think	VB
cord-329318-eo8auo1f	172	15	About	about	IN
cord-329318-eo8auo1f	172	16	Available	available	JJ
cord-329318-eo8auo1f	172	17	Drugs	drug	NNS
cord-329318-eo8auo1f	172	18	?	?	.
cord-329318-eo8auo1f	173	1	Structural	structural	JJ
cord-329318-eo8auo1f	173	2	basis	basis	NN
cord-329318-eo8auo1f	173	3	for	for	IN
cord-329318-eo8auo1f	173	4	inhibition	inhibition	NN
cord-329318-eo8auo1f	173	5	of	of	IN
cord-329318-eo8auo1f	173	6	the	the	DT
cord-329318-eo8auo1f	173	7	RNA	RNA	NNP
cord-329318-eo8auo1f	173	8	-	-	HYPH
cord-329318-eo8auo1f	173	9	dependent	dependent	JJ
cord-329318-eo8auo1f	173	10	RNA	RNA	NNP
cord-329318-eo8auo1f	173	11	polymerase	polymerase	NN
cord-329318-eo8auo1f	173	12	from	from	IN
cord-329318-eo8auo1f	173	13	SARS	SARS	NNP
cord-329318-eo8auo1f	173	14	-	-	HYPH
cord-329318-eo8auo1f	173	15	CoV-2	CoV-2	NNP
cord-329318-eo8auo1f	173	16	by	by	IN
cord-329318-eo8auo1f	173	17	Remdesivir	Remdesivir	NNP
cord-329318-eo8auo1f	173	18	A	a	DT
cord-329318-eo8auo1f	173	19	pneumonia	pneumonia	NN
cord-329318-eo8auo1f	173	20	outbreak	outbreak	NN
cord-329318-eo8auo1f	173	21	associated	associate	VBN
cord-329318-eo8auo1f	173	22	with	with	IN
cord-329318-eo8auo1f	173	23	a	a	DT
cord-329318-eo8auo1f	173	24	new	new	JJ
cord-329318-eo8auo1f	173	25	coronavirus	coronavirus	NN
cord-329318-eo8auo1f	173	26	of	of	IN
cord-329318-eo8auo1f	173	27	probable	probable	JJ
cord-329318-eo8auo1f	173	28	bat	bat	NN
cord-329318-eo8auo1f	173	29	origin	origin	NN
cord-329318-eo8auo1f	173	30	Treatment	Treatment	NNP
cord-329318-eo8auo1f	173	31	options	option	NNS
cord-329318-eo8auo1f	173	32	for	for	IN
cord-329318-eo8auo1f	173	33	COVID-19	covid-19	NN
cord-329318-eo8auo1f	173	34	:	:	:
cord-329318-eo8auo1f	174	1	The	the	DT
cord-329318-eo8auo1f	174	2	reality	reality	NN
cord-329318-eo8auo1f	174	3	and	and	CC
cord-329318-eo8auo1f	174	4	challenges	challenge	VBZ
cord-329318-eo8auo1f	174	5	Remdesivir	Remdesivir	NNP
cord-329318-eo8auo1f	174	6	for	for	IN
cord-329318-eo8auo1f	174	7	the	the	DT
cord-329318-eo8auo1f	174	8	Treatment	Treatment	NNP
cord-329318-eo8auo1f	174	9	of	of	IN
cord-329318-eo8auo1f	174	10	Covid-19	Covid-19	NNP
cord-329318-eo8auo1f	174	11			JJ
cord-329318-eo8auo1f	174	12	Preliminary	Preliminary	NNP
cord-329318-eo8auo1f	174	13	Report	Report	NNP
cord-329318-eo8auo1f	175	1	Ridgeback	Ridgeback	NNP
cord-329318-eo8auo1f	175	2	begins	begin	VBZ
cord-329318-eo8auo1f	175	3	enrolment	enrolment	NN
cord-329318-eo8auo1f	175	4	for	for	IN
cord-329318-eo8auo1f	175	5	phase	phase	NN
cord-329318-eo8auo1f	175	6	2	2	CD
cord-329318-eo8auo1f	175	7	Covid-19	covid-19	NN
cord-329318-eo8auo1f	175	8	trial	trial	NN
cord-329318-eo8auo1f	175	9	of	of	IN
cord-329318-eo8auo1f	175	10	EIDD-2801	EIDD-2801	NNP
cord-329318-eo8auo1f	176	1	An	an	DT
cord-329318-eo8auo1f	176	2	analysis	analysis	NN
cord-329318-eo8auo1f	176	3	of	of	IN
cord-329318-eo8auo1f	176	4	the	the	DT
cord-329318-eo8auo1f	176	5	attrition	attrition	NN
cord-329318-eo8auo1f	176	6	of	of	IN
cord-329318-eo8auo1f	176	7	drug	drug	NN
cord-329318-eo8auo1f	176	8	candidates	candidate	NNS
cord-329318-eo8auo1f	176	9	from	from	IN
cord-329318-eo8auo1f	176	10	four	four	CD
cord-329318-eo8auo1f	176	11	major	major	JJ
cord-329318-eo8auo1f	176	12	pharmaceutical	pharmaceutical	JJ
cord-329318-eo8auo1f	176	13	companies	company	NNS
cord-329318-eo8auo1f	176	14	Drug	Drug	NNP
cord-329318-eo8auo1f	176	15	repurposing	repurposing	NN
cord-329318-eo8auo1f	176	16	:	:	:
cord-329318-eo8auo1f	176	17	progress	progress	NN
cord-329318-eo8auo1f	176	18	,	,	,
cord-329318-eo8auo1f	176	19	challenges	challenge	NNS
cord-329318-eo8auo1f	176	20	and	and	CC
cord-329318-eo8auo1f	176	21	recommendations	recommendation	NNS
cord-329318-eo8auo1f	176	22	Overcoming	overcome	VBG
cord-329318-eo8auo1f	176	23	the	the	DT
cord-329318-eo8auo1f	176	24	legal	legal	JJ
cord-329318-eo8auo1f	176	25	and	and	CC
cord-329318-eo8auo1f	176	26	regulatory	regulatory	JJ
cord-329318-eo8auo1f	176	27	barriers	barrier	NNS
cord-329318-eo8auo1f	176	28	to	to	IN
cord-329318-eo8auo1f	176	29	drug	drug	NN
cord-329318-eo8auo1f	176	30	repurposing	repurpose	VBG
cord-329318-eo8auo1f	176	31	Computational	computational	JJ
cord-329318-eo8auo1f	176	32	drug	drug	NN
cord-329318-eo8auo1f	176	33	repositioning	repositioning	NN
cord-329318-eo8auo1f	176	34	:	:	:
cord-329318-eo8auo1f	176	35	from	from	IN
cord-329318-eo8auo1f	176	36	data	datum	NNS
cord-329318-eo8auo1f	176	37	to	to	IN
cord-329318-eo8auo1f	176	38	therapeutics	therapeutic	NNS
cord-329318-eo8auo1f	176	39	Thalidomide	Thalidomide	NNP
cord-329318-eo8auo1f	176	40	-	-	HYPH
cord-329318-eo8auo1f	176	41	induced	induce	VBN
cord-329318-eo8auo1f	176	42	teratogenesis	teratogenesis	NN
cord-329318-eo8auo1f	176	43	:	:	:
cord-329318-eo8auo1f	177	1	history	history	NN
cord-329318-eo8auo1f	177	2	and	and	CC
cord-329318-eo8auo1f	177	3	mechanisms	mechanism	NNS
cord-329318-eo8auo1f	177	4	SARS	SARS	NNP
cord-329318-eo8auo1f	177	5	-	-	HYPH
cord-329318-eo8auo1f	177	6	CoV-2	CoV-2	NNP
cord-329318-eo8auo1f	178	1	RNA	RNA	NNP
cord-329318-eo8auo1f	178	2	dependent	dependent	JJ
cord-329318-eo8auo1f	178	3	RNA	RNA	NNP
cord-329318-eo8auo1f	178	4	polymerase	polymerase	NN
cord-329318-eo8auo1f	178	5	(	(	-LRB-
cord-329318-eo8auo1f	178	6	RdRp	RdRp	NNP
cord-329318-eo8auo1f	178	7	)	)	-RRB-
cord-329318-eo8auo1f	178	8	:	:	:
cord-329318-eo8auo1f	179	1	A	a	DT
cord-329318-eo8auo1f	179	2	molecular	molecular	JJ
cord-329318-eo8auo1f	179	3	docking	docking	NN
cord-329318-eo8auo1f	179	4	study	study	NN
cord-329318-eo8auo1f	179	5	.	.	.
cord-329318-eo8auo1f	180	1	Life	Life	NNP
cord-329318-eo8auo1f	180	2	Sci	Sci	NNP
cord-329318-eo8auo1f	180	3	.	.	NNP
cord-329318-eo8auo1f	180	4	2020	2020	CD
cord-329318-eo8auo1f	180	5	,	,	,
cord-329318-eo8auo1f	180	6	253	253	CD
cord-329318-eo8auo1f	180	7	,	,	,
cord-329318-eo8auo1f	180	8	117592	117592	CD
cord-329318-eo8auo1f	180	9	.	.	.
cord-329318-eo8auo1f	181	1	(	(	-LRB-
cord-329318-eo8auo1f	181	2	18	18	CD
cord-329318-eo8auo1f	181	3	)	)	-RRB-
cord-329318-eo8auo1f	181	4	Bouachrine	Bouachrine	NNP
cord-329318-eo8auo1f	181	5	,	,	,
cord-329318-eo8auo1f	181	6	M.	M.	NNP
cord-329318-eo8auo1f	181	7	Molecular	Molecular	NNP
cord-329318-eo8auo1f	181	8	docking	docking	NN
cord-329318-eo8auo1f	181	9	analysis	analysis	NN
cord-329318-eo8auo1f	181	10	of	of	IN
cord-329318-eo8auo1f	181	11	N	n	NN
cord-329318-eo8auo1f	181	12	-	-	HYPH
cord-329318-eo8auo1f	181	13	substituted	substitute	VBN
cord-329318-eo8auo1f	181	14	oseltamivir	oseltamivir	NNP
cord-329318-eo8auo1f	181	15	derivatives	derivative	NNS
cord-329318-eo8auo1f	181	16	with	with	IN
cord-329318-eo8auo1f	181	17	the	the	DT
cord-329318-eo8auo1f	181	18	SARS	SARS	NNP
cord-329318-eo8auo1f	181	19	-	-	HYPH
cord-329318-eo8auo1f	181	20	Cov-2	Cov-2	NNP
cord-329318-eo8auo1f	181	21	main	main	JJ
cord-329318-eo8auo1f	181	22	protease	protease	NN
cord-329318-eo8auo1f	181	23	Evaluating	evaluate	VBG
cord-329318-eo8auo1f	181	24	the	the	DT
cord-329318-eo8auo1f	181	25	potential	potential	NN
cord-329318-eo8auo1f	181	26	of	of	IN
cord-329318-eo8auo1f	181	27	different	different	JJ
cord-329318-eo8auo1f	181	28	inhibitors	inhibitor	NNS
cord-329318-eo8auo1f	181	29	on	on	IN
cord-329318-eo8auo1f	181	30	RNA	RNA	NNP
cord-329318-eo8auo1f	181	31	-	-	HYPH
cord-329318-eo8auo1f	181	32	dependent	dependent	JJ
cord-329318-eo8auo1f	181	33	RNA	RNA	NNP
cord-329318-eo8auo1f	181	34	polymerase	polymerase	NN
cord-329318-eo8auo1f	181	35	of	of	IN
cord-329318-eo8auo1f	181	36	severe	severe	JJ
cord-329318-eo8auo1f	181	37	acute	acute	JJ
cord-329318-eo8auo1f	181	38	respiratory	respiratory	JJ
cord-329318-eo8auo1f	181	39	syndrome	syndrome	NN
cord-329318-eo8auo1f	181	40	coronavirus	coronavirus	NN
cord-329318-eo8auo1f	181	41	2	2	CD
cord-329318-eo8auo1f	181	42	:	:	:
cord-329318-eo8auo1f	181	43	A	a	DT
cord-329318-eo8auo1f	181	44	molecular	molecular	JJ
cord-329318-eo8auo1f	181	45	modeling	modeling	NN
cord-329318-eo8auo1f	181	46	approach	approach	NN
cord-329318-eo8auo1f	182	1	Remdesivir	Remdesivir	NNP
cord-329318-eo8auo1f	182	2	and	and	CC
cord-329318-eo8auo1f	182	3	chloroquine	chloroquine	NN
cord-329318-eo8auo1f	182	4	effectively	effectively	RB
cord-329318-eo8auo1f	182	5	inhibit	inhibit	VBP
cord-329318-eo8auo1f	182	6	the	the	DT
cord-329318-eo8auo1f	182	7	recently	recently	RB
cord-329318-eo8auo1f	182	8	emerged	emerge	VBN
cord-329318-eo8auo1f	182	9	novel	novel	JJ
cord-329318-eo8auo1f	182	10	coronavirus	coronavirus	NN
cord-329318-eo8auo1f	182	11	(	(	-LRB-
cord-329318-eo8auo1f	182	12	2019-nCoV	2019-ncov	CD
cord-329318-eo8auo1f	182	13	)	)	-RRB-
cord-329318-eo8auo1f	182	14	in	in	IN
cord-329318-eo8auo1f	182	15	vitro	vitro	FW
cord-329318-eo8auo1f	182	16	Remdesivir	Remdesivir	NNP
cord-329318-eo8auo1f	182	17	in	in	IN
cord-329318-eo8auo1f	182	18	adults	adult	NNS
cord-329318-eo8auo1f	182	19	with	with	IN
cord-329318-eo8auo1f	182	20	severe	severe	JJ
cord-329318-eo8auo1f	182	21	COVID-19	covid-19	NN
cord-329318-eo8auo1f	182	22	:	:	:
cord-329318-eo8auo1f	182	23	a	a	DT
cord-329318-eo8auo1f	182	24	randomised	randomised	JJ
cord-329318-eo8auo1f	182	25	,	,	,
cord-329318-eo8auo1f	182	26	double	double	JJ
cord-329318-eo8auo1f	182	27	-	-	HYPH
cord-329318-eo8auo1f	182	28	blind	blind	JJ
cord-329318-eo8auo1f	182	29	,	,	,
cord-329318-eo8auo1f	182	30	placebo	placebo	NN
cord-329318-eo8auo1f	182	31	-	-	HYPH
cord-329318-eo8auo1f	182	32	controlled	control	VBN
cord-329318-eo8auo1f	182	33	,	,	,
cord-329318-eo8auo1f	182	34	multicentre	multicentre	NNP
cord-329318-eo8auo1f	182	35	trial	trial	NN
cord-329318-eo8auo1f	182	36	Delahaye	Delahaye	NNP
cord-329318-eo8auo1f	182	37	-	-	HYPH
cord-329318-eo8auo1f	182	38	Duriez	Duriez	NNP
cord-329318-eo8auo1f	182	39	,	,	,
cord-329318-eo8auo1f	182	40	A.	a.	NN
cord-329318-eo8auo1f	182	41	Machine	machine	NN
cord-329318-eo8auo1f	182	42	learning	learn	VBG
cord-329318-eo8auo1f	182	43	applications	application	NNS
cord-329318-eo8auo1f	182	44	in	in	IN
cord-329318-eo8auo1f	182	45	drug	drug	NN
cord-329318-eo8auo1f	182	46	development	development	NN
cord-329318-eo8auo1f	182	47	Drug	Drug	NNP
cord-329318-eo8auo1f	182	48	repositioning	repositioning	NN
cord-329318-eo8auo1f	182	49	:	:	:
cord-329318-eo8auo1f	182	50	a	a	DT
cord-329318-eo8auo1f	182	51	machine	machine	NN
cord-329318-eo8auo1f	182	52	-	-	HYPH
cord-329318-eo8auo1f	182	53	learning	learn	VBG
cord-329318-eo8auo1f	182	54	approach	approach	NN
cord-329318-eo8auo1f	182	55	through	through	IN
cord-329318-eo8auo1f	182	56	data	data	NN
cord-329318-eo8auo1f	182	57	integration	integration	NN
cord-329318-eo8auo1f	182	58	Concepts	concept	NNS
cord-329318-eo8auo1f	182	59	of	of	IN
cord-329318-eo8auo1f	182	60	Artificial	Artificial	NNP
cord-329318-eo8auo1f	182	61	Intelligence	Intelligence	NNP
cord-329318-eo8auo1f	182	62	for	for	IN
cord-329318-eo8auo1f	182	63	Computer	Computer	NNP
cord-329318-eo8auo1f	182	64	-	-	HYPH
cord-329318-eo8auo1f	182	65	Assisted	Assisted	NNP
cord-329318-eo8auo1f	182	66	Drug	Drug	NNP
cord-329318-eo8auo1f	182	67	Discovery	Discovery	NNP
cord-329318-eo8auo1f	182	68	26	26	CD
cord-329318-eo8auo1f	182	69	)	)	-RRB-
cord-329318-eo8auo1f	183	1	Canvas	Canvas	NNP
cord-329318-eo8auo1f	183	2	,	,	,
cord-329318-eo8auo1f	183	3	ver	ver	NN
cord-329318-eo8auo1f	183	4	.	.	.
cord-329318-eo8auo1f	184	1	1.2	1.2	CD
cord-329318-eo8auo1f	184	2	;	;	:
cord-329318-eo8auo1f	184	3	Schrodinger	Schrodinger	NNP
cord-329318-eo8auo1f	184	4	L	L	NNP
cord-329318-eo8auo1f	184	5	Development	Development	NNP
cord-329318-eo8auo1f	184	6	of	of	IN
cord-329318-eo8auo1f	184	7	Fukui	Fukui	NNP
cord-329318-eo8auo1f	184	8	Function	Function	NNP
cord-329318-eo8auo1f	184	9	Based	base	VBN
cord-329318-eo8auo1f	184	10	Descriptors	Descriptors	NNP
cord-329318-eo8auo1f	184	11	for	for	IN
cord-329318-eo8auo1f	184	12	a	a	DT
cord-329318-eo8auo1f	184	13	Machine	Machine	NNP
cord-329318-eo8auo1f	184	14	Learning	Learning	NNP
cord-329318-eo8auo1f	184	15	Study	Study	NNP
cord-329318-eo8auo1f	184	16	of	of	IN
cord-329318-eo8auo1f	184	17	CO2	CO2	NNP
cord-329318-eo8auo1f	184	18	Reduction	Reduction	NNP
cord-329318-eo8auo1f	184	19	Predicting	Predicting	NNP
cord-329318-eo8auo1f	184	20	commercially	commercially	RB
cord-329318-eo8auo1f	184	21	available	available	JJ
cord-329318-eo8auo1f	184	22	antiviral	antiviral	JJ
cord-329318-eo8auo1f	184	23	drugs	drug	NNS
cord-329318-eo8auo1f	184	24	that	that	WDT
cord-329318-eo8auo1f	184	25	may	may	MD
cord-329318-eo8auo1f	184	26	act	act	VB
cord-329318-eo8auo1f	184	27	on	on	IN
cord-329318-eo8auo1f	184	28	the	the	DT
cord-329318-eo8auo1f	184	29	novel	novel	JJ
cord-329318-eo8auo1f	184	30	coronavirus	coronavirus	NN
cord-329318-eo8auo1f	184	31	(	(	-LRB-
cord-329318-eo8auo1f	184	32	SARS	SARS	NNP
cord-329318-eo8auo1f	184	33	-	-	HYPH
cord-329318-eo8auo1f	184	34	CoV-2	CoV-2	NNP
cord-329318-eo8auo1f	184	35	)	)	-RRB-
cord-329318-eo8auo1f	184	36	through	through	IN
cord-329318-eo8auo1f	184	37	a	a	DT
cord-329318-eo8auo1f	184	38	drug	drug	NN
cord-329318-eo8auo1f	184	39	-	-	HYPH
cord-329318-eo8auo1f	184	40	target	target	NN
cord-329318-eo8auo1f	184	41	interaction	interaction	NN
cord-329318-eo8auo1f	184	42	deep	deep	JJ
cord-329318-eo8auo1f	184	43	learning	learning	NN
cord-329318-eo8auo1f	184	44	model	model	NN
cord-329318-eo8auo1f	185	1	The	the	DT
cord-329318-eo8auo1f	185	2	application	application	NN
cord-329318-eo8auo1f	185	3	of	of	IN
cord-329318-eo8auo1f	185	4	principal	principal	JJ
cord-329318-eo8auo1f	185	5	component	component	NN
cord-329318-eo8auo1f	185	6	analysis	analysis	NN
cord-329318-eo8auo1f	185	7	to	to	IN
cord-329318-eo8auo1f	185	8	drug	drug	NN
cord-329318-eo8auo1f	185	9	discovery	discovery	NN
cord-329318-eo8auo1f	185	10	and	and	CC
cord-329318-eo8auo1f	185	11	biomedical	biomedical	JJ
cord-329318-eo8auo1f	185	12	data	datum	NNS
cord-329318-eo8auo1f	185	13	.	.	.
cord-329318-eo8auo1f	186	1	Drug	Drug	NNP
cord-329318-eo8auo1f	186	2	Discovery	Discovery	NNP
cord-329318-eo8auo1f	187	1	Today	today	NN
cord-329318-eo8auo1f	188	1	Comparing	compare	VBG
cord-329318-eo8auo1f	188	2	structural	structural	JJ
cord-329318-eo8auo1f	188	3	and	and	CC
cord-329318-eo8auo1f	188	4	transcriptional	transcriptional	JJ
cord-329318-eo8auo1f	188	5	drug	drug	NN
cord-329318-eo8auo1f	188	6	networks	network	NNS
cord-329318-eo8auo1f	188	7	reveals	reveal	VBZ
cord-329318-eo8auo1f	188	8	signatures	signature	NNS
cord-329318-eo8auo1f	188	9	of	of	IN
cord-329318-eo8auo1f	188	10	drug	drug	NN
cord-329318-eo8auo1f	188	11	activity	activity	NN
cord-329318-eo8auo1f	188	12	and	and	CC
cord-329318-eo8auo1f	188	13	toxicity	toxicity	NN
cord-329318-eo8auo1f	188	14	in	in	IN
cord-329318-eo8auo1f	188	15	transcriptional	transcriptional	JJ
cord-329318-eo8auo1f	188	16	responses	response	NNS
cord-329318-eo8auo1f	188	17	AICD	AICD	NNP
cord-329318-eo8auo1f	188	18	:	:	:
cord-329318-eo8auo1f	188	19	an	an	DT
cord-329318-eo8auo1f	188	20	integrated	integrate	VBN
cord-329318-eo8auo1f	188	21	antiinfammatory	antiinfammatory	NNP
cord-329318-eo8auo1f	188	22	compounds	compound	NNS
cord-329318-eo8auo1f	188	23	database	database	VBP
cord-329318-eo8auo1f	188	24	for	for	IN
cord-329318-eo8auo1f	188	25	drug	drug	NN
cord-329318-eo8auo1f	188	26	discovery	discovery	NN
cord-329318-eo8auo1f	189	1	Structure−Activity	Structure−Activity	NNP
cord-329318-eo8auo1f	189	2	Relationship	Relationship	NNP
cord-329318-eo8auo1f	189	3	for	for	IN
cord-329318-eo8auo1f	189	4	FDA	FDA	NNP
cord-329318-eo8auo1f	189	5	Approved	approve	VBN
cord-329318-eo8auo1f	189	6	Drugs	drug	NNS
cord-329318-eo8auo1f	190	1	As	as	IN
cord-329318-eo8auo1f	190	2	Inhibitors	Inhibitors	NNP
cord-329318-eo8auo1f	190	3	of	of	IN
cord-329318-eo8auo1f	190	4	the	the	DT
cord-329318-eo8auo1f	190	5	Human	Human	NNP
cord-329318-eo8auo1f	190	6	Sodium	Sodium	NNP
cord-329318-eo8auo1f	190	7	Taurocholate	Taurocholate	NNP
cord-329318-eo8auo1f	190	8	Cotransporting	Cotransporting	NNP
cord-329318-eo8auo1f	190	9	Polypeptide	Polypeptide	NNP
cord-329318-eo8auo1f	190	10	(	(	-LRB-
cord-329318-eo8auo1f	190	11	NTCP	NTCP	NNP
cord-329318-eo8auo1f	190	12	)	)	-RRB-
cord-329318-eo8auo1f	190	13	Drug	drug	NN
cord-329318-eo8auo1f	190	14	-	-	HYPH
cord-329318-eo8auo1f	190	15	likeness	likeness	NN
cord-329318-eo8auo1f	190	16	analysis	analysis	NN
cord-329318-eo8auo1f	190	17	of	of	IN
cord-329318-eo8auo1f	190	18	traditional	traditional	JJ
cord-329318-eo8auo1f	190	19	Chinese	chinese	JJ
cord-329318-eo8auo1f	190	20	medicines	medicine	NNS
cord-329318-eo8auo1f	190	21	:	:	:
cord-329318-eo8auo1f	190	22	1	1	CD
cord-329318-eo8auo1f	190	23	.	.	.
cord-329318-eo8auo1f	191	1	property	property	NN
cord-329318-eo8auo1f	191	2	distributions	distribution	NNS
cord-329318-eo8auo1f	191	3	of	of	IN
cord-329318-eo8auo1f	191	4	drug	drug	NN
cord-329318-eo8auo1f	191	5	-	-	HYPH
cord-329318-eo8auo1f	191	6	like	like	JJ
cord-329318-eo8auo1f	191	7	compounds	compound	NNS
cord-329318-eo8auo1f	191	8	,	,	,
cord-329318-eo8auo1f	191	9	non	non	JJ
cord-329318-eo8auo1f	191	10	-	-	JJ
cord-329318-eo8auo1f	191	11	drug	drug	JJ
cord-329318-eo8auo1f	191	12	-	-	HYPH
cord-329318-eo8auo1f	191	13	like	like	JJ
cord-329318-eo8auo1f	191	14	compounds	compound	NNS
cord-329318-eo8auo1f	191	15	and	and	CC
cord-329318-eo8auo1f	191	16	natural	natural	JJ
cord-329318-eo8auo1f	191	17	compounds	compound	NNS
cord-329318-eo8auo1f	191	18	from	from	IN
cord-329318-eo8auo1f	191	19	traditional	traditional	JJ
cord-329318-eo8auo1f	191	20	Chinese	chinese	JJ
cord-329318-eo8auo1f	191	21	medicines	medicine	NNS
cord-329318-eo8auo1f	191	22	Conductor	conductor	NN
cord-329318-eo8auo1f	191	23	-	-	HYPH
cord-329318-eo8auo1f	191	24	like	like	NNP
cord-329318-eo8auo1f	191	25	Screening	Screening	NNP
cord-329318-eo8auo1f	191	26	Model	Model	NNP
cord-329318-eo8auo1f	191	27	for	for	IN
cord-329318-eo8auo1f	191	28	Real	real	JJ
cord-329318-eo8auo1f	191	29	Solvents	solvent	NNS
cord-329318-eo8auo1f	191	30	:	:	:
cord-329318-eo8auo1f	191	31	A	a	DT
cord-329318-eo8auo1f	191	32	New	New	NNP
cord-329318-eo8auo1f	191	33	Approach	Approach	NNP
cord-329318-eo8auo1f	191	34	to	to	IN
cord-329318-eo8auo1f	191	35	the	the	DT
cord-329318-eo8auo1f	191	36	Quantitative	Quantitative	NNP
cord-329318-eo8auo1f	191	37	Calculation	Calculation	NNP
cord-329318-eo8auo1f	191	38	of	of	IN
cord-329318-eo8auo1f	191	39	Solvation	Solvation	NNP
cord-329318-eo8auo1f	191	40	Phenomena	Phenomena	NNP
cord-329318-eo8auo1f	191	41	Bioisosteric	Bioisosteric	NNP
cord-329318-eo8auo1f	191	42	Similarity	Similarity	NNP
cord-329318-eo8auo1f	191	43	Based	base	VBN
cord-329318-eo8auo1f	191	44	on	on	IN
cord-329318-eo8auo1f	192	1	COSMO	COSMO	NNP
cord-329318-eo8auo1f	192	2	-	-	HYPH
cord-329318-eo8auo1f	192	3	RS	RS	NNP
cord-329318-eo8auo1f	192	4	σ	σ	NN
cord-329318-eo8auo1f	192	5	Profiles	Profiles	NNPS
cord-329318-eo8auo1f	192	6	COSMOf	COSMOf	NNP
cord-329318-eo8auo1f	192	7	rag	rag	NN
cord-329318-eo8auo1f	192	8	:	:	:
cord-329318-eo8auo1f	193	1	A	a	DT
cord-329318-eo8auo1f	193	2	Novel	Novel	NNP
cord-329318-eo8auo1f	193	3	Tool	tool	NN
cord-329318-eo8auo1f	193	4	for	for	IN
cord-329318-eo8auo1f	193	5	High	High	NNP
cord-329318-eo8auo1f	193	6	-	-	HYPH
cord-329318-eo8auo1f	193	7	Throughput	Throughput	NNP
cord-329318-eo8auo1f	193	8	ADME	ADME	NNP
cord-329318-eo8auo1f	193	9	Property	Property	NNP
cord-329318-eo8auo1f	193	10	Prediction	Prediction	NNP
cord-329318-eo8auo1f	193	11	and	and	CC
cord-329318-eo8auo1f	193	12	Similarity	Similarity	NNP
cord-329318-eo8auo1f	193	13	Screening	Screening	NNP
cord-329318-eo8auo1f	193	14	Based	Based	NNP
cord-329318-eo8auo1f	193	15	on	on	IN
cord-329318-eo8auo1f	193	16	Quantum	Quantum	NNP
cord-329318-eo8auo1f	193	17	Chemistry	Chemistry	NNP
cord-329318-eo8auo1f	193	18	Prediction	Prediction	NNP
cord-329318-eo8auo1f	193	19	of	of	IN
cord-329318-eo8auo1f	193	20	aqueous	aqueous	JJ
cord-329318-eo8auo1f	193	21	solubility	solubility	NN
cord-329318-eo8auo1f	193	22	of	of	IN
cord-329318-eo8auo1f	193	23	drugs	drug	NNS
cord-329318-eo8auo1f	193	24	and	and	CC
cord-329318-eo8auo1f	193	25	pesticides	pesticide	NNS
cord-329318-eo8auo1f	193	26	with	with	IN
cord-329318-eo8auo1f	193	27	COSMO	COSMO	NNP
cord-329318-eo8auo1f	193	28	-	-	HYPH
cord-329318-eo8auo1f	193	29	RS	RS	NNP
cord-329318-eo8auo1f	193	30	Density	density	NN
cord-329318-eo8auo1f	193	31	-	-	HYPH
cord-329318-eo8auo1f	193	32	functional	functional	JJ
cord-329318-eo8auo1f	193	33	thermochemistry	thermochemistry	NN
cord-329318-eo8auo1f	193	34	.	.	.
cord-329318-eo8auo1f	194	1	III	III	NNP
cord-329318-eo8auo1f	194	2	.	.	.
cord-329318-eo8auo1f	195	1	The	the	DT
cord-329318-eo8auo1f	195	2	role	role	NN
cord-329318-eo8auo1f	195	3	of	of	IN
cord-329318-eo8auo1f	195	4	exact	exact	JJ
cord-329318-eo8auo1f	195	5	exchange	exchange	NN
cord-329318-eo8auo1f	196	1	An	an	DT
cord-329318-eo8auo1f	196	2	All	All	NNP
cord-329318-eo8auo1f	196	3	-	-	HYPH
cord-329318-eo8auo1f	196	4	Electron	Electron	NNP
cord-329318-eo8auo1f	196	5	Numerical	Numerical	NNP
cord-329318-eo8auo1f	196	6	Method	Method	NNP
cord-329318-eo8auo1f	196	7	for	for	IN
cord-329318-eo8auo1f	196	8	Solving	solve	VBG
cord-329318-eo8auo1f	196	9	the	the	DT
cord-329318-eo8auo1f	196	10	Local	Local	NNP
cord-329318-eo8auo1f	196	11	Density	Density	NNP
cord-329318-eo8auo1f	196	12	Functional	Functional	NNP
cord-329318-eo8auo1f	196	13	for	for	IN
cord-329318-eo8auo1f	196	14	Polyatomic	Polyatomic	NNP
cord-329318-eo8auo1f	196	15	Molecules	Molecules	NNP
cord-329318-eo8auo1f	196	16	COSMO	COSMO	NNP
cord-329318-eo8auo1f	196	17	:	:	:
cord-329318-eo8auo1f	196	18	a	a	DT
cord-329318-eo8auo1f	196	19	new	new	JJ
cord-329318-eo8auo1f	196	20	approach	approach	NN
cord-329318-eo8auo1f	196	21	to	to	TO
cord-329318-eo8auo1f	196	22	dielectric	dielectric	VB
cord-329318-eo8auo1f	196	23	screening	screening	NN
cord-329318-eo8auo1f	196	24	in	in	IN
cord-329318-eo8auo1f	196	25	solvents	solvent	NNS
cord-329318-eo8auo1f	196	26	with	with	IN
cord-329318-eo8auo1f	196	27	explicit	explicit	JJ
cord-329318-eo8auo1f	196	28	expressions	expression	NNS
cord-329318-eo8auo1f	196	29	for	for	IN
cord-329318-eo8auo1f	196	30	the	the	DT
cord-329318-eo8auo1f	196	31	screening	screening	NN
cord-329318-eo8auo1f	196	32	energy	energy	NN
cord-329318-eo8auo1f	196	33	and	and	CC
cord-329318-eo8auo1f	196	34	its	-PRON-	PRP$
cord-329318-eo8auo1f	196	35	gradient	gradient	NN
cord-329318-eo8auo1f	196	36	Refinement	Refinement	NNP
cord-329318-eo8auo1f	196	37	and	and	CC
cord-329318-eo8auo1f	196	38	Parametrization	Parametrization	NNP
cord-329318-eo8auo1f	196	39	of	of	IN
cord-329318-eo8auo1f	196	40	COSMO	COSMO	NNP
cord-329318-eo8auo1f	196	41	-	-	HYPH
cord-329318-eo8auo1f	196	42	RS	RS	NNP
cord-329318-eo8auo1f	196	43	Validation	Validation	NNP
cord-329318-eo8auo1f	196	44	of	of	IN
cord-329318-eo8auo1f	196	45	the	the	DT
cord-329318-eo8auo1f	196	46	general	general	JJ
cord-329318-eo8auo1f	196	47	purpose	purpose	NN
cord-329318-eo8auo1f	197	1	QUANTA	QUANTA	NNP
cord-329318-eo8auo1f	198	1	®	®	.
cord-329318-eo8auo1f	199	1	3.2	3.2	CD
cord-329318-eo8auo1f	199	2	/	/	SYM
cord-329318-eo8auo1f	199	3	CHARMm	CHARMm	NNPS
cord-329318-eo8auo1f	199	4	®	®	POS
cord-329318-eo8auo1f	199	5	force	force	NN
cord-329318-eo8auo1f	199	6	field	field	NN
cord-329318-eo8auo1f	199	7	High	High	NNP
cord-329318-eo8auo1f	199	8	Throughput	Throughput	NNP
cord-329318-eo8auo1f	199	9	Docking	Docking	NNP
cord-329318-eo8auo1f	199	10	for	for	IN
cord-329318-eo8auo1f	199	11	Library	Library	NNP
cord-329318-eo8auo1f	199	12	Design	Design	NNP
cord-329318-eo8auo1f	199	13	and	and	CC
cord-329318-eo8auo1f	199	14	Library	Library	NNP
cord-329318-eo8auo1f	199	15	Prioritization	Prioritization	NNP
cord-329318-eo8auo1f	199	16	Kurane	Kurane	NNP
cord-329318-eo8auo1f	199	17	,	,	,
cord-329318-eo8auo1f	199	18	I.	I.	NNP
cord-329318-eo8auo1f	199	19	Inhibitory	inhibitory	JJ
cord-329318-eo8auo1f	199	20	effect	effect	NN
cord-329318-eo8auo1f	199	21	of	of	IN
cord-329318-eo8auo1f	199	22	mizoribine	mizoribine	NN
cord-329318-eo8auo1f	199	23	and	and	CC
cord-329318-eo8auo1f	199	24	ribavirin	ribavirin	NN
cord-329318-eo8auo1f	199	25	on	on	IN
cord-329318-eo8auo1f	199	26	the	the	DT
cord-329318-eo8auo1f	199	27	replication	replication	NN
cord-329318-eo8auo1f	199	28	of	of	IN
cord-329318-eo8auo1f	199	29	severe	severe	JJ
cord-329318-eo8auo1f	199	30	acute	acute	JJ
cord-329318-eo8auo1f	199	31	respiratory	respiratory	JJ
cord-329318-eo8auo1f	199	32	syndrome	syndrome	NN
cord-329318-eo8auo1f	199	33	(	(	-LRB-
cord-329318-eo8auo1f	199	34	SARS)-associated	sars)-associated	CD
cord-329318-eo8auo1f	199	35	coronavirus	coronavirus	NN
cord-329318-eo8auo1f	199	36	Anti	Anti	NNP
cord-329318-eo8auo1f	199	37	-	-	NNP
cord-329318-eo8auo1f	199	38	HCV	HCV	NNP
cord-329318-eo8auo1f	199	39	,	,	,
cord-329318-eo8auo1f	199	40	nucleotide	nucleotide	JJ
cord-329318-eo8auo1f	199	41	inhibitors	inhibitor	NNS
cord-329318-eo8auo1f	199	42	,	,	,
cord-329318-eo8auo1f	199	43	repurposing	repurpose	VBG
cord-329318-eo8auo1f	199	44	against	against	IN
cord-329318-eo8auo1f	199	45	COVID-19	COVID-19	NNP
cord-329318-eo8auo1f	199	46	Impact	Impact	NNP
cord-329318-eo8auo1f	199	47	of	of	IN
cord-329318-eo8auo1f	199	48	acyclovir	acyclovir	NNP
cord-329318-eo8auo1f	199	49	use	use	NN
cord-329318-eo8auo1f	199	50	on	on	IN
cord-329318-eo8auo1f	199	51	survival	survival	NN
cord-329318-eo8auo1f	199	52	of	of	IN
cord-329318-eo8auo1f	199	53	patients	patient	NNS
cord-329318-eo8auo1f	199	54	with	with	IN
cord-329318-eo8auo1f	199	55	ventilator	ventilator	NN
cord-329318-eo8auo1f	199	56	-	-	HYPH
cord-329318-eo8auo1f	199	57	associated	associate	VBN
cord-329318-eo8auo1f	199	58	pneumonia	pneumonia	NN
cord-329318-eo8auo1f	199	59	and	and	CC
cord-329318-eo8auo1f	199	60	high	high	JJ
cord-329318-eo8auo1f	199	61	load	load	NN
cord-329318-eo8auo1f	199	62	herpes	herpes	NN
cord-329318-eo8auo1f	199	63	simplex	simplex	NN
cord-329318-eo8auo1f	199	64	virus	virus	NN
cord-329318-eo8auo1f	199	65	replication	replication	NN
cord-329318-eo8auo1f	199	66	Validation	Validation	NNP
cord-329318-eo8auo1f	199	67	Studies	Studies	NNPS
cord-329318-eo8auo1f	199	68	of	of	IN
cord-329318-eo8auo1f	199	69	the	the	DT
cord-329318-eo8auo1f	199	70	Site	site	NN
cord-329318-eo8auo1f	199	71	-	-	HYPH
cord-329318-eo8auo1f	199	72	Directed	direct	VBN
cord-329318-eo8auo1f	199	73	Docking	Docking	NNP
cord-329318-eo8auo1f	199	74	Program	Program	NNP
cord-329318-eo8auo1f	199	75	LibDock	LibDock	NNP
cord-329318-eo8auo1f	200	1	The	the	DT
cord-329318-eo8auo1f	200	2	authors	author	NNS
cord-329318-eo8auo1f	200	3	declare	declare	VBP
cord-329318-eo8auo1f	200	4	no	no	DT
cord-329318-eo8auo1f	200	5	competing	compete	VBG
cord-329318-eo8auo1f	200	6	financial	financial	JJ
cord-329318-eo8auo1f	200	7	interest	interest	NN
cord-329318-eo8auo1f	200	8	.	.	.
cord-329318-eo8auo1f	200	9	 	 	_SP