id	sid	tid	token	lemma	pos
eurjchem-1962	1	1	in	in	ADP
eurjchem-1962	1	2	silico	silico	NOUN
eurjchem-1962	1	3	screening	screen	VERB
eurjchem-1962	1	4	for	for	ADP
eurjchem-1962	1	5	the	the	DET
eurjchem-1962	1	6	interaction	interaction	NOUN
eurjchem-1962	1	7	of	of	ADP
eurjchem-1962	1	8	small	small	ADJ
eurjchem-1962	1	9	molecules	molecule	NOUN
eurjchem-1962	1	10	with	with	ADP
eurjchem-1962	1	11	their	their	PRON
eurjchem-1962	1	12	targets	target	NOUN
eurjchem-1962	1	13	and	and	CCONJ
eurjchem-1962	1	14	evaluation	evaluation	NOUN
eurjchem-1962	1	15	of	of	ADP
eurjchem-1962	1	16	therapeutic	therapeutic	ADJ
eurjchem-1962	1	17	efficacy	efficacy	NOUN
eurjchem-1962	1	18	by	by	ADP
eurjchem-1962	1	19	free	free	ADJ
eurjchem-1962	1	20	online	online	ADJ
eurjchem-1962	1	21	tools	tool	NOUN
eurjchem-1962	1	22	european	european	ADJ
eurjchem-1962	1	23	journal	journal	NOUN
eurjchem-1962	1	24	of	of	ADP
eurjchem-1962	1	25	chemistry	chemistry	NOUN
eurjchem-1962	1	26	11	11	NUM
eurjchem-1962	1	27	(	(	PUNCT
eurjchem-1962	1	28	2	2	NUM
eurjchem-1962	1	29	)	)	PUNCT
eurjchem-1962	1	30	(	(	PUNCT
eurjchem-1962	1	31	2020	2020	NUM
eurjchem-1962	1	32	)	)	PUNCT
eurjchem-1962	1	33	168	168	NUM
eurjchem-1962	1	34	-	-	SYM
eurjchem-1962	1	35	178	178	NUM
eurjchem-1962	1	36	european	european	ADJ
eurjchem-1962	1	37	journal	journal	NOUN
eurjchem-1962	1	38	of	of	ADP
eurjchem-1962	1	39	chemistry	chemistry	NOUN
eurjchem-1962	1	40	issn	issn	VERB
eurjchem-1962	1	41	2153	2153	NUM
eurjchem-1962	1	42	-	-	SYM
eurjchem-1962	1	43	2249	2249	NUM
eurjchem-1962	1	44	(	(	PUNCT
eurjchem-1962	1	45	print	print	NOUN
eurjchem-1962	1	46	)	)	PUNCT
eurjchem-1962	1	47	/	/	PUNCT
eurjchem-1962	1	48	issn	issn	PROPN
eurjchem-1962	1	49	2153	2153	NUM
eurjchem-1962	1	50	-	-	SYM
eurjchem-1962	1	51	2257	2257	NUM
eurjchem-1962	1	52	(	(	PUNCT
eurjchem-1962	1	53	online	online	ADJ
eurjchem-1962	1	54	)	)	PUNCT
eurjchem-1962	1	55	–	–	PUNCT
eurjchem-1962	2	1	copyright	copyright	NOUN
eurjchem-1962	2	2	©	©	PROPN
eurjchem-1962	2	3	2020	2020	NUM
eurjchem-1962	2	4	the	the	DET
eurjchem-1962	2	5	authors	author	NOUN
eurjchem-1962	2	6	–	–	PUNCT
eurjchem-1962	2	7	atlanta	atlanta	PROPN
eurjchem-1962	2	8	publishing	publishing	PROPN
eurjchem-1962	2	9	house	house	PROPN
eurjchem-1962	2	10	llc	llc	PROPN
eurjchem-1962	2	11	–	–	PUNCT
eurjchem-1962	2	12	printed	print	VERB
eurjchem-1962	2	13	in	in	ADP
eurjchem-1962	2	14	the	the	DET
eurjchem-1962	2	15	usa	usa	PROPN
eurjchem-1962	2	16	.	.	PUNCT
eurjchem-1962	3	1	this	this	DET
eurjchem-1962	3	2	work	work	NOUN
eurjchem-1962	3	3	is	be	AUX
eurjchem-1962	3	4	published	publish	VERB
eurjchem-1962	3	5	and	and	CCONJ
eurjchem-1962	3	6	licensed	license	VERB
eurjchem-1962	3	7	by	by	ADP
eurjchem-1962	3	8	atlanta	atlanta	PROPN
eurjchem-1962	3	9	publishing	publishing	PROPN
eurjchem-1962	3	10	house	house	PROPN
eurjchem-1962	3	11	llc	llc	PROPN
eurjchem-1962	3	12	–	–	PUNCT
eurjchem-1962	3	13	cc	cc	PROPN
eurjchem-1962	3	14	by	by	ADP
eurjchem-1962	3	15	nc	nc	PROPN
eurjchem-1962	3	16	–	–	PUNCT
eurjchem-1962	3	17	some	some	DET
eurjchem-1962	3	18	rights	right	NOUN
eurjchem-1962	3	19	reserved	reserve	VERB
eurjchem-1962	3	20	.	.	PUNCT
eurjchem-1962	4	1	http://dx.doi.org/10.5155/eurjchem.11.2.168-178.1962	http://dx.doi.org/10.5155/eurjchem.11.2.168-178.1962	PROPN
eurjchem-1962	4	2	european	european	PROPN
eurjchem-1962	4	3	journal	journal	PROPN
eurjchem-1962	4	4	of	of	ADP
eurjchem-1962	4	5	chemistry	chemistry	NOUN
eurjchem-1962	4	6	view	view	NOUN
eurjchem-1962	4	7	journal	journal	PROPN
eurjchem-1962	4	8	online	online	PROPN
eurjchem-1962	4	9	view	view	NOUN
eurjchem-1962	4	10	article	article	NOUN
eurjchem-1962	4	11	online	online	ADV
eurjchem-1962	4	12	in	in	ADP
eurjchem-1962	4	13	silico	silico	NOUN
eurjchem-1962	4	14	screening	screen	VERB
eurjchem-1962	4	15	for	for	ADP
eurjchem-1962	4	16	the	the	DET
eurjchem-1962	4	17	interaction	interaction	NOUN
eurjchem-1962	4	18	of	of	ADP
eurjchem-1962	4	19	small	small	ADJ
eurjchem-1962	4	20	molecules	molecule	NOUN
eurjchem-1962	4	21	with	with	ADP
eurjchem-1962	4	22	their	their	PRON
eurjchem-1962	4	23	targets	target	NOUN
eurjchem-1962	4	24	and	and	CCONJ
eurjchem-1962	4	25	evaluation	evaluation	NOUN
eurjchem-1962	4	26	of	of	ADP
eurjchem-1962	4	27	therapeutic	therapeutic	ADJ
eurjchem-1962	4	28	efficacy	efficacy	NOUN
eurjchem-1962	4	29	by	by	ADP
eurjchem-1962	4	30	free	free	ADJ
eurjchem-1962	4	31	online	online	ADJ
eurjchem-1962	4	32	tools	tool	NOUN
eurjchem-1962	4	33	praveen	praveen	PROPN
eurjchem-1962	4	34	kumar	kumar	PROPN
eurjchem-1962	4	35	1	1	PROPN
eurjchem-1962	4	36	,	,	PUNCT
eurjchem-1962	4	37	nayak	nayak	PROPN
eurjchem-1962	4	38	devappa	devappa	PROPN
eurjchem-1962	4	39	satyanarayan	satyanarayan	PROPN
eurjchem-1962	4	40	2	2	NUM
eurjchem-1962	4	41	,	,	PUNCT
eurjchem-1962	4	42	subba	subba	NOUN
eurjchem-1962	4	43	rao	rao	PROPN
eurjchem-1962	4	44	venkata	venkata	PROPN
eurjchem-1962	4	45	madhunapantula	madhunapantula	PROPN
eurjchem-1962	4	46	3	3	NUM
eurjchem-1962	4	47	,	,	PUNCT
eurjchem-1962	4	48	hulikal	hulikal	PROPN
eurjchem-1962	4	49	shivashankara	shivashankara	PROPN
eurjchem-1962	4	50	santhosh	santhosh	PROPN
eurjchem-1962	4	51	kumar	kumar	PROPN
eurjchem-1962	4	52	4	4	NUM
eurjchem-1962	4	53	and	and	CCONJ
eurjchem-1962	4	54	rajeshwara	rajeshwara	PROPN
eurjchem-1962	4	55	achur	achur	NOUN
eurjchem-1962	4	56	1	1	NUM
eurjchem-1962	4	57	,	,	PUNCT
eurjchem-1962	4	58	*	*	PROPN
eurjchem-1962	4	59	1	1	NUM
eurjchem-1962	4	60	department	department	NOUN
eurjchem-1962	4	61	of	of	ADP
eurjchem-1962	4	62	biochemistry	biochemistry	NOUN
eurjchem-1962	4	63	,	,	PUNCT
eurjchem-1962	4	64	kuvempu	kuvempu	PROPN
eurjchem-1962	4	65	university	university	PROPN
eurjchem-1962	4	66	,	,	PUNCT
eurjchem-1962	4	67	jnana	jnana	PROPN
eurjchem-1962	4	68	sahyadri	sahyadri	PROPN
eurjchem-1962	4	69	577451	577451	NUM
eurjchem-1962	4	70	,	,	PUNCT
eurjchem-1962	4	71	shimoga	shimoga	PROPN
eurjchem-1962	4	72	,	,	PUNCT
eurjchem-1962	4	73	karnataka	karnataka	PROPN
eurjchem-1962	4	74	,	,	PUNCT
eurjchem-1962	4	75	india	india	PROPN
eurjchem-1962	4	76	praveenbiochemku@gmail.com	praveenbiochemku@gmail.com	PROPN
eurjchem-1962	4	77	(	(	PUNCT
eurjchem-1962	4	78	p.k	p.k	PROPN
eurjchem-1962	4	79	.	.	PROPN
eurjchem-1962	4	80	)	)	PUNCT
eurjchem-1962	4	81	,	,	PUNCT
eurjchem-1962	4	82	rajachur@gmail.com	rajachur@gmail.com	X
eurjchem-1962	4	83	(	(	PUNCT
eurjchem-1962	4	84	r.a	r.a	PROPN
eurjchem-1962	4	85	.	.	PROPN
eurjchem-1962	4	86	)	)	PUNCT
eurjchem-1962	4	87	2	2	NUM
eurjchem-1962	4	88	department	department	NOUN
eurjchem-1962	4	89	of	of	ADP
eurjchem-1962	4	90	pharmaceutical	pharmaceutical	ADJ
eurjchem-1962	4	91	chemistry	chemistry	NOUN
eurjchem-1962	4	92	,	,	PUNCT
eurjchem-1962	4	93	kuvempu	kuvempu	PROPN
eurjchem-1962	4	94	university	university	PROPN
eurjchem-1962	4	95	,	,	PUNCT
eurjchem-1962	4	96	post	post	VERB
eurjchem-1962	4	97	graduate	graduate	ADJ
eurjchem-1962	4	98	centre	centre	NOUN
eurjchem-1962	4	99	,	,	PUNCT
eurjchem-1962	4	100	kadur	kadur	NOUN
eurjchem-1962	4	101	577458	577458	NUM
eurjchem-1962	4	102	,	,	PUNCT
eurjchem-1962	4	103	chikkamagaluru	chikkamagaluru	NOUN
eurjchem-1962	4	104	dist	dist	NOUN
eurjchem-1962	4	105	.	.	PUNCT
eurjchem-1962	5	1	,	,	PUNCT
eurjchem-1962	5	2	karnataka	karnataka	PROPN
eurjchem-1962	5	3	,	,	PUNCT
eurjchem-1962	5	4	india	india	PROPN
eurjchem-1962	5	5	satya1782005@gmail.com	satya1782005@gmail.com	PROPN
eurjchem-1962	6	1	(	(	PUNCT
eurjchem-1962	6	2	n.d.s	n.d.s	PROPN
eurjchem-1962	6	3	.	.	PUNCT
eurjchem-1962	6	4	)	)	PUNCT
eurjchem-1962	7	1	3	3	NUM
eurjchem-1962	7	2	center	center	NOUN
eurjchem-1962	7	3	of	of	ADP
eurjchem-1962	7	4	excellence	excellence	NOUN
eurjchem-1962	7	5	in	in	ADP
eurjchem-1962	7	6	molecular	molecular	ADJ
eurjchem-1962	7	7	biology	biology	NOUN
eurjchem-1962	7	8	and	and	CCONJ
eurjchem-1962	7	9	regenerative	regenerative	ADJ
eurjchem-1962	7	10	medicine	medicine	NOUN
eurjchem-1962	7	11	laboratory	laboratory	NOUN
eurjchem-1962	7	12	,	,	PUNCT
eurjchem-1962	7	13	department	department	NOUN
eurjchem-1962	7	14	of	of	ADP
eurjchem-1962	7	15	biochemistry	biochemistry	NOUN
eurjchem-1962	7	16	,	,	PUNCT
eurjchem-1962	7	17	jagadguru	jagadguru	PROPN
eurjchem-1962	7	18	sri	sri	PROPN
eurjchem-1962	7	19	shivarathreeshwara	shivarathreeshwara	PROPN
eurjchem-1962	7	20	medical	medical	PROPN
eurjchem-1962	7	21	college	college	PROPN
eurjchem-1962	7	22	,	,	PUNCT
eurjchem-1962	7	23	academy	academy	NOUN
eurjchem-1962	7	24	of	of	ADP
eurjchem-1962	7	25	higher	high	ADJ
eurjchem-1962	7	26	education	education	NOUN
eurjchem-1962	7	27	and	and	CCONJ
eurjchem-1962	7	28	research	research	NOUN
eurjchem-1962	7	29	,	,	PUNCT
eurjchem-1962	7	30	mysuru	mysuru	NOUN
eurjchem-1962	7	31	,	,	PUNCT
eurjchem-1962	7	32	karnataka	karnataka	PROPN
eurjchem-1962	7	33	,	,	PUNCT
eurjchem-1962	7	34	570015	570015	NUM
eurjchem-1962	7	35	,	,	PUNCT
eurjchem-1962	7	36	india	india	PROPN
eurjchem-1962	7	37	madhunapantulas@yahoo.com	madhunapantulas@yahoo.com	PROPN
eurjchem-1962	7	38	(	(	PUNCT
eurjchem-1962	7	39	s.r.v.m	s.r.v.m	PROPN
eurjchem-1962	7	40	.	.	PUNCT
eurjchem-1962	7	41	)	)	PUNCT
eurjchem-1962	8	1	4	4	NUM
eurjchem-1962	9	1	department	department	NOUN
eurjchem-1962	9	2	of	of	ADP
eurjchem-1962	9	3	biotechnology	biotechnology	NOUN
eurjchem-1962	9	4	,	,	PUNCT
eurjchem-1962	9	5	kuvempu	kuvempu	PROPN
eurjchem-1962	9	6	university	university	PROPN
eurjchem-1962	9	7	,	,	PUNCT
eurjchem-1962	9	8	jnana	jnana	PROPN
eurjchem-1962	9	9	sahyadri	sahyadri	PROPN
eurjchem-1962	9	10	577451	577451	NUM
eurjchem-1962	9	11	,	,	PUNCT
eurjchem-1962	9	12	shimoga	shimoga	PROPN
eurjchem-1962	9	13	,	,	PUNCT
eurjchem-1962	9	14	karnataka	karnataka	PROPN
eurjchem-1962	9	15	,	,	PUNCT
eurjchem-1962	9	16	india	india	PROPN
eurjchem-1962	9	17	sk.genesan@gmail.com	sk.genesan@gmail.com	PROPN
eurjchem-1962	9	18	(	(	PUNCT
eurjchem-1962	9	19	h.s.s.k	h.s.s.k	PROPN
eurjchem-1962	9	20	.	.	PUNCT
eurjchem-1962	9	21	)	)	PUNCT
eurjchem-1962	10	1	*	*	PUNCT
eurjchem-1962	10	2	corresponding	correspond	VERB
eurjchem-1962	10	3	author	author	NOUN
eurjchem-1962	10	4	at	at	ADP
eurjchem-1962	10	5	:	:	PUNCT
eurjchem-1962	10	6	department	department	NOUN
eurjchem-1962	10	7	of	of	ADP
eurjchem-1962	10	8	biochemistry	biochemistry	NOUN
eurjchem-1962	10	9	,	,	PUNCT
eurjchem-1962	10	10	kuvempu	kuvempu	PROPN
eurjchem-1962	10	11	university	university	PROPN
eurjchem-1962	10	12	,	,	PUNCT
eurjchem-1962	10	13	jnana	jnana	PROPN
eurjchem-1962	10	14	sahyadri	sahyadri	PROPN
eurjchem-1962	10	15	577451	577451	NUM
eurjchem-1962	10	16	,	,	PUNCT
eurjchem-1962	10	17	shimoga	shimoga	PROPN
eurjchem-1962	10	18	,	,	PUNCT
eurjchem-1962	10	19	karnataka	karnataka	PROPN
eurjchem-1962	10	20	,	,	PUNCT
eurjchem-1962	10	21	india	india	PROPN
eurjchem-1962	10	22	.	.	PUNCT
eurjchem-1962	11	1	e	e	X
eurjchem-1962	11	2	-	-	NOUN
eurjchem-1962	11	3	mail	mail	NOUN
eurjchem-1962	11	4	:	:	PUNCT
eurjchem-1962	11	5	anr@kuvempu.ac.in	anr@kuvempu.ac.in	PROPN
eurjchem-1962	11	6	(	(	PUNCT
eurjchem-1962	11	7	r.	r.	PROPN
eurjchem-1962	11	8	achur	achur	PROPN
eurjchem-1962	11	9	)	)	PUNCT
eurjchem-1962	11	10	.	.	PUNCT
eurjchem-1962	12	1	10.5155	10.5155	NUM
eurjchem-1962	12	2	/	/	SYM
eurjchem-1962	12	3	eurjchem.11.2.168	eurjchem.11.2.168	NOUN
eurjchem-1962	12	4	-	-	PUNCT
eurjchem-1962	12	5	178.1962	178.1962	NUM
eurjchem-1962	12	6	received	receive	VERB
eurjchem-1962	12	7	:	:	PUNCT
eurjchem-1962	12	8	24	24	NUM
eurjchem-1962	12	9	january	january	PROPN
eurjchem-1962	12	10	2020	2020	NUM
eurjchem-1962	12	11	received	receive	VERB
eurjchem-1962	12	12	in	in	ADP
eurjchem-1962	12	13	revised	revise	VERB
eurjchem-1962	12	14	form	form	NOUN
eurjchem-1962	12	15	:	:	PUNCT
eurjchem-1962	12	16	17	17	NUM
eurjchem-1962	12	17	april	april	PROPN
eurjchem-1962	12	18	2020	2020	NUM
eurjchem-1962	12	19	accepted	accept	VERB
eurjchem-1962	12	20	:	:	PUNCT
eurjchem-1962	12	21	21	21	NUM
eurjchem-1962	12	22	april	april	PROPN
eurjchem-1962	12	23	2020	2020	NUM
eurjchem-1962	12	24	published	publish	VERB
eurjchem-1962	12	25	online	online	ADV
eurjchem-1962	12	26	:	:	PUNCT
eurjchem-1962	12	27	30	30	NUM
eurjchem-1962	12	28	june	june	PROPN
eurjchem-1962	12	29	2020	2020	NUM
eurjchem-1962	12	30	printed	print	VERB
eurjchem-1962	12	31	:	:	PUNCT
eurjchem-1962	12	32	30	30	NUM
eurjchem-1962	12	33	june	june	PROPN
eurjchem-1962	12	34	2020	2020	NUM
eurjchem-1962	12	35	pharmaceutical	pharmaceutical	ADJ
eurjchem-1962	12	36	chemistry	chemistry	NOUN
eurjchem-1962	12	37	deals	deal	NOUN
eurjchem-1962	12	38	with	with	ADP
eurjchem-1962	12	39	the	the	DET
eurjchem-1962	12	40	process	process	NOUN
eurjchem-1962	12	41	of	of	ADP
eurjchem-1962	12	42	isolating	isolate	VERB
eurjchem-1962	12	43	organic	organic	ADJ
eurjchem-1962	12	44	compounds	compound	NOUN
eurjchem-1962	12	45	from	from	ADP
eurjchem-1962	12	46	natural	natural	ADJ
eurjchem-1962	12	47	sources	source	NOUN
eurjchem-1962	12	48	or	or	CCONJ
eurjchem-1962	12	49	chemically	chemically	ADV
eurjchem-1962	12	50	synthesizing	synthesize	VERB
eurjchem-1962	12	51	them	they	PRON
eurjchem-1962	12	52	in	in	ADP
eurjchem-1962	12	53	order	order	NOUN
eurjchem-1962	12	54	to	to	PART
eurjchem-1962	12	55	explore	explore	VERB
eurjchem-1962	12	56	potential	potential	ADJ
eurjchem-1962	12	57	drugs	drug	NOUN
eurjchem-1962	12	58	.	.	PUNCT
eurjchem-1962	13	1	drugs	drug	NOUN
eurjchem-1962	13	2	are	be	AUX
eurjchem-1962	13	3	small	small	ADJ
eurjchem-1962	13	4	molecules	molecule	NOUN
eurjchem-1962	13	5	,	,	PUNCT
eurjchem-1962	13	6	used	use	VERB
eurjchem-1962	13	7	to	to	PART
eurjchem-1962	13	8	prevent	prevent	VERB
eurjchem-1962	13	9	or	or	CCONJ
eurjchem-1962	13	10	treat	treat	VERB
eurjchem-1962	13	11	various	various	ADJ
eurjchem-1962	13	12	diseases	disease	NOUN
eurjchem-1962	13	13	.	.	PUNCT
eurjchem-1962	14	1	of	of	ADP
eurjchem-1962	14	2	several	several	ADJ
eurjchem-1962	14	3	lead	lead	ADJ
eurjchem-1962	14	4	molecules	molecule	NOUN
eurjchem-1962	14	5	,	,	PUNCT
eurjchem-1962	14	6	only	only	ADV
eurjchem-1962	14	7	few	few	ADJ
eurjchem-1962	14	8	of	of	ADP
eurjchem-1962	14	9	them	they	PRON
eurjchem-1962	14	10	reach	reach	VERB
eurjchem-1962	14	11	clinical	clinical	ADJ
eurjchem-1962	14	12	trial	trial	NOUN
eurjchem-1962	14	13	phases	phase	NOUN
eurjchem-1962	14	14	and	and	CCONJ
eurjchem-1962	14	15	emerge	emerge	VERB
eurjchem-1962	14	16	as	as	ADP
eurjchem-1962	14	17	effective	effective	ADJ
eurjchem-1962	14	18	drugs	drug	NOUN
eurjchem-1962	14	19	,	,	PUNCT
eurjchem-1962	14	20	whereas	whereas	SCONJ
eurjchem-1962	14	21	the	the	DET
eurjchem-1962	14	22	majority	majority	NOUN
eurjchem-1962	14	23	will	will	AUX
eurjchem-1962	14	24	be	be	AUX
eurjchem-1962	14	25	eliminated	eliminate	VERB
eurjchem-1962	14	26	at	at	ADP
eurjchem-1962	14	27	different	different	ADJ
eurjchem-1962	14	28	stages	stage	NOUN
eurjchem-1962	14	29	.	.	PUNCT
eurjchem-1962	15	1	on	on	ADP
eurjchem-1962	15	2	the	the	DET
eurjchem-1962	15	3	other	other	ADJ
eurjchem-1962	15	4	hand	hand	NOUN
eurjchem-1962	15	5	,	,	PUNCT
eurjchem-1962	15	6	due	due	ADP
eurjchem-1962	15	7	to	to	ADP
eurjchem-1962	15	8	the	the	DET
eurjchem-1962	15	9	lack	lack	NOUN
eurjchem-1962	15	10	of	of	ADP
eurjchem-1962	15	11	proper	proper	ADJ
eurjchem-1962	15	12	identification	identification	NOUN
eurjchem-1962	15	13	of	of	ADP
eurjchem-1962	15	14	their	their	PRON
eurjchem-1962	15	15	pharmacokinetic	pharmacokinetic	ADJ
eurjchem-1962	15	16	properties	property	NOUN
eurjchem-1962	15	17	and	and	CCONJ
eurjchem-1962	15	18	biological	biological	ADJ
eurjchem-1962	15	19	potential	potential	NOUN
eurjchem-1962	15	20	,	,	PUNCT
eurjchem-1962	15	21	many	many	ADJ
eurjchem-1962	15	22	small	small	ADJ
eurjchem-1962	15	23	molecules	molecule	NOUN
eurjchem-1962	15	24	fail	fail	VERB
eurjchem-1962	15	25	to	to	PART
eurjchem-1962	15	26	reach	reach	VERB
eurjchem-1962	15	27	this	this	DET
eurjchem-1962	15	28	stage	stage	NOUN
eurjchem-1962	15	29	.	.	PUNCT
eurjchem-1962	16	1	this	this	PRON
eurjchem-1962	16	2	could	could	AUX
eurjchem-1962	16	3	be	be	AUX
eurjchem-1962	16	4	because	because	SCONJ
eurjchem-1962	16	5	of	of	ADP
eurjchem-1962	16	6	the	the	DET
eurjchem-1962	16	7	fact	fact	NOUN
eurjchem-1962	16	8	that	that	SCONJ
eurjchem-1962	16	9	it	it	PRON
eurjchem-1962	16	10	is	be	AUX
eurjchem-1962	16	11	either	either	PRON
eurjchem-1962	16	12	time	time	NOUN
eurjchem-1962	16	13	consuming	consume	VERB
eurjchem-1962	16	14	and	and	CCONJ
eurjchem-1962	16	15	costly	costly	ADJ
eurjchem-1962	16	16	or	or	CCONJ
eurjchem-1962	16	17	there	there	PRON
eurjchem-1962	16	18	is	be	VERB
eurjchem-1962	16	19	full	full	ADJ
eurjchem-1962	16	20	of	of	ADP
eurjchem-1962	16	21	uncertainty	uncertainty	NOUN
eurjchem-1962	16	22	due	due	ADP
eurjchem-1962	16	23	to	to	ADP
eurjchem-1962	16	24	lack	lack	NOUN
eurjchem-1962	16	25	of	of	ADP
eurjchem-1962	16	26	analyses	analysis	NOUN
eurjchem-1962	16	27	that	that	PRON
eurjchem-1962	16	28	are	be	AUX
eurjchem-1962	16	29	necessary	necessary	ADJ
eurjchem-1962	16	30	for	for	ADP
eurjchem-1962	16	31	the	the	DET
eurjchem-1962	16	32	confirmation	confirmation	NOUN
eurjchem-1962	16	33	.	.	PUNCT
eurjchem-1962	17	1	in	in	ADP
eurjchem-1962	17	2	the	the	DET
eurjchem-1962	17	3	post	post	ADJ
eurjchem-1962	17	4	-	-	ADJ
eurjchem-1962	17	5	genomic	genomic	ADJ
eurjchem-1962	17	6	era	era	NOUN
eurjchem-1962	17	7	,	,	PUNCT
eurjchem-1962	17	8	computational	computational	ADJ
eurjchem-1962	17	9	methods	method	NOUN
eurjchem-1962	17	10	have	have	AUX
eurjchem-1962	17	11	been	be	AUX
eurjchem-1962	17	12	implemented	implement	VERB
eurjchem-1962	17	13	in	in	ADP
eurjchem-1962	17	14	almost	almost	ADV
eurjchem-1962	17	15	all	all	PRON
eurjchem-1962	17	16	stages	stage	NOUN
eurjchem-1962	17	17	of	of	ADP
eurjchem-1962	17	18	drug	drug	NOUN
eurjchem-1962	17	19	research	research	NOUN
eurjchem-1962	17	20	and	and	CCONJ
eurjchem-1962	17	21	development	development	NOUN
eurjchem-1962	17	22	owing	owe	VERB
eurjchem-1962	17	23	to	to	ADP
eurjchem-1962	17	24	the	the	DET
eurjchem-1962	17	25	drastic	drastic	ADJ
eurjchem-1962	17	26	increase	increase	NOUN
eurjchem-1962	17	27	in	in	ADP
eurjchem-1962	17	28	the	the	DET
eurjchem-1962	17	29	available	available	ADJ
eurjchem-1962	17	30	knowledge	knowledge	NOUN
eurjchem-1962	17	31	about	about	ADP
eurjchem-1962	17	32	small	small	ADJ
eurjchem-1962	17	33	molecules	molecule	NOUN
eurjchem-1962	17	34	and	and	CCONJ
eurjchem-1962	17	35	the	the	DET
eurjchem-1962	17	36	target	target	NOUN
eurjchem-1962	17	37	biomacromolecule	biomacromolecule	NOUN
eurjchem-1962	17	38	.	.	PUNCT
eurjchem-1962	18	1	this	this	PRON
eurjchem-1962	18	2	includes	include	VERB
eurjchem-1962	18	3	identifying	identify	VERB
eurjchem-1962	18	4	the	the	DET
eurjchem-1962	18	5	suitable	suitable	ADJ
eurjchem-1962	18	6	and	and	CCONJ
eurjchem-1962	18	7	specific	specific	ADJ
eurjchem-1962	18	8	targets	target	NOUN
eurjchem-1962	18	9	for	for	ADP
eurjchem-1962	18	10	drug	drug	NOUN
eurjchem-1962	18	11	candidates	candidate	NOUN
eurjchem-1962	18	12	,	,	PUNCT
eurjchem-1962	18	13	lead	lead	VERB
eurjchem-1962	18	14	discovery	discovery	NOUN
eurjchem-1962	18	15	,	,	PUNCT
eurjchem-1962	18	16	lead	lead	VERB
eurjchem-1962	18	17	optimization	optimization	NOUN
eurjchem-1962	18	18	and	and	CCONJ
eurjchem-1962	18	19	ultimately	ultimately	ADV
eurjchem-1962	18	20	preclinical	preclinical	ADJ
eurjchem-1962	18	21	phases	phase	NOUN
eurjchem-1962	18	22	.	.	PUNCT
eurjchem-1962	19	1	in	in	ADP
eurjchem-1962	19	2	this	this	DET
eurjchem-1962	19	3	context	context	NOUN
eurjchem-1962	19	4	,	,	PUNCT
eurjchem-1962	19	5	numerous	numerous	ADJ
eurjchem-1962	19	6	websites	website	NOUN
eurjchem-1962	19	7	have	have	AUX
eurjchem-1962	19	8	become	become	VERB
eurjchem-1962	19	9	highly	highly	ADV
eurjchem-1962	19	10	valuable	valuable	ADJ
eurjchem-1962	19	11	and	and	CCONJ
eurjchem-1962	19	12	influence	influence	VERB
eurjchem-1962	19	13	the	the	DET
eurjchem-1962	19	14	drug	drug	NOUN
eurjchem-1962	19	15	development	development	NOUN
eurjchem-1962	19	16	and	and	CCONJ
eurjchem-1962	19	17	discovery	discovery	NOUN
eurjchem-1962	19	18	process	process	NOUN
eurjchem-1962	19	19	.	.	PUNCT
eurjchem-1962	20	1	here	here	ADV
eurjchem-1962	20	2	,	,	PUNCT
eurjchem-1962	20	3	we	we	PRON
eurjchem-1962	20	4	have	have	AUX
eurjchem-1962	20	5	attempted	attempt	VERB
eurjchem-1962	20	6	to	to	PART
eurjchem-1962	20	7	bring	bring	VERB
eurjchem-1962	20	8	together	together	ADV
eurjchem-1962	20	9	some	some	PRON
eurjchem-1962	20	10	of	of	ADP
eurjchem-1962	20	11	the	the	DET
eurjchem-1962	20	12	online	online	ADJ
eurjchem-1962	20	13	computational	computational	ADJ
eurjchem-1962	20	14	approaches	approach	NOUN
eurjchem-1962	20	15	and	and	CCONJ
eurjchem-1962	20	16	tools	tool	NOUN
eurjchem-1962	20	17	that	that	PRON
eurjchem-1962	20	18	are	be	AUX
eurjchem-1962	20	19	available	available	ADJ
eurjchem-1962	20	20	to	to	PART
eurjchem-1962	20	21	facilitate	facilitate	VERB
eurjchem-1962	20	22	research	research	NOUN
eurjchem-1962	20	23	efforts	effort	NOUN
eurjchem-1962	20	24	in	in	ADP
eurjchem-1962	20	25	the	the	DET
eurjchem-1962	20	26	field	field	NOUN
eurjchem-1962	20	27	of	of	ADP
eurjchem-1962	20	28	drug	drug	NOUN
eurjchem-1962	20	29	discovery	discovery	NOUN
eurjchem-1962	20	30	and	and	CCONJ
eurjchem-1962	20	31	drug	drug	NOUN
eurjchem-1962	20	32	design	design	NOUN
eurjchem-1962	20	33	.	.	PUNCT
eurjchem-1962	21	1	the	the	DET
eurjchem-1962	21	2	output	output	NOUN
eurjchem-1962	21	3	information	information	NOUN
eurjchem-1962	21	4	from	from	ADP
eurjchem-1962	21	5	these	these	DET
eurjchem-1962	21	6	tools	tool	NOUN
eurjchem-1962	21	7	is	be	AUX
eurjchem-1962	21	8	extremely	extremely	ADV
eurjchem-1962	21	9	helpful	helpful	ADJ
eurjchem-1962	21	10	in	in	ADP
eurjchem-1962	21	11	selecting	select	VERB
eurjchem-1962	21	12	and	and	CCONJ
eurjchem-1962	21	13	deciding	decide	VERB
eurjchem-1962	21	14	about	about	ADP
eurjchem-1962	21	15	the	the	DET
eurjchem-1962	21	16	future	future	ADJ
eurjchem-1962	21	17	direction	direction	NOUN
eurjchem-1962	21	18	or	or	CCONJ
eurjchem-1962	21	19	specific	specific	ADJ
eurjchem-1962	21	20	path	path	NOUN
eurjchem-1962	21	21	needed	need	VERB
eurjchem-1962	21	22	to	to	PART
eurjchem-1962	21	23	be	be	AUX
eurjchem-1962	21	24	followed	follow	VERB
eurjchem-1962	21	25	by	by	ADP
eurjchem-1962	21	26	the	the	DET
eurjchem-1962	21	27	researchers	researcher	NOUN
eurjchem-1962	21	28	.	.	PUNCT
eurjchem-1962	22	1	these	these	DET
eurjchem-1962	22	2	computational	computational	ADJ
eurjchem-1962	22	3	methods	method	NOUN
eurjchem-1962	22	4	are	be	AUX
eurjchem-1962	22	5	indeed	indeed	ADV
eurjchem-1962	22	6	help	help	NOUN
eurjchem-1962	22	7	to	to	PART
eurjchem-1962	22	8	focus	focus	VERB
eurjchem-1962	22	9	the	the	DET
eurjchem-1962	22	10	intended	intend	VERB
eurjchem-1962	22	11	research	research	NOUN
eurjchem-1962	22	12	in	in	ADP
eurjchem-1962	22	13	the	the	DET
eurjchem-1962	22	14	right	right	ADJ
eurjchem-1962	22	15	direction	direction	NOUN
eurjchem-1962	22	16	.	.	PUNCT
eurjchem-1962	23	1	as	as	SCONJ
eurjchem-1962	23	2	detailed	detailed	ADJ
eurjchem-1962	23	3	in	in	ADP
eurjchem-1962	23	4	this	this	DET
eurjchem-1962	23	5	review	review	NOUN
eurjchem-1962	23	6	,	,	PUNCT
eurjchem-1962	23	7	the	the	DET
eurjchem-1962	23	8	information	information	NOUN
eurjchem-1962	23	9	provided	provide	VERB
eurjchem-1962	23	10	about	about	ADP
eurjchem-1962	23	11	the	the	DET
eurjchem-1962	23	12	servers	server	NOUN
eurjchem-1962	23	13	and	and	CCONJ
eurjchem-1962	23	14	methods	method	NOUN
eurjchem-1962	23	15	should	should	AUX
eurjchem-1962	23	16	be	be	AUX
eurjchem-1962	23	17	useful	useful	ADJ
eurjchem-1962	23	18	throughout	throughout	ADP
eurjchem-1962	23	19	the	the	DET
eurjchem-1962	23	20	process	process	NOUN
eurjchem-1962	23	21	of	of	ADP
eurjchem-1962	23	22	screening	screening	NOUN
eurjchem-1962	23	23	of	of	ADP
eurjchem-1962	23	24	synthesized	synthesize	VERB
eurjchem-1962	23	25	or	or	CCONJ
eurjchem-1962	23	26	chemical	chemical	NOUN
eurjchem-1962	23	27	database	database	NOUN
eurjchem-1962	23	28	originated	originate	VERB
eurjchem-1962	23	29	small	small	ADJ
eurjchem-1962	23	30	molecules	molecule	NOUN
eurjchem-1962	23	31	to	to	PART
eurjchem-1962	23	32	find	find	VERB
eurjchem-1962	23	33	the	the	DET
eurjchem-1962	23	34	appropriate	appropriate	ADJ
eurjchem-1962	23	35	targets	target	NOUN
eurjchem-1962	23	36	along	along	ADP
eurjchem-1962	23	37	with	with	ADP
eurjchem-1962	23	38	the	the	DET
eurjchem-1962	23	39	active	active	ADJ
eurjchem-1962	23	40	sites	site	NOUN
eurjchem-1962	23	41	without	without	ADP
eurjchem-1962	23	42	depending	depend	VERB
eurjchem-1962	23	43	on	on	ADP
eurjchem-1962	23	44	any	any	DET
eurjchem-1962	23	45	commercial	commercial	ADJ
eurjchem-1962	23	46	tools	tool	NOUN
eurjchem-1962	23	47	or	or	CCONJ
eurjchem-1962	23	48	time	time	NOUN
eurjchem-1962	23	49	-	-	PUNCT
eurjchem-1962	23	50	consuming	consume	VERB
eurjchem-1962	23	51	and	and	CCONJ
eurjchem-1962	23	52	costly	costly	ADJ
eurjchem-1962	23	53	assays	assay	NOUN
eurjchem-1962	23	54	.	.	PUNCT
eurjchem-1962	24	1	it	it	PRON
eurjchem-1962	24	2	should	should	AUX
eurjchem-1962	24	3	however	however	ADV
eurjchem-1962	24	4	be	be	AUX
eurjchem-1962	24	5	remembered	remember	VERB
eurjchem-1962	24	6	that	that	SCONJ
eurjchem-1962	24	7	the	the	DET
eurjchem-1962	24	8	bioinformatics	bioinformatics	NOUN
eurjchem-1962	24	9	-	-	PUNCT
eurjchem-1962	24	10	based	base	VERB
eurjchem-1962	24	11	prediction	prediction	NOUN
eurjchem-1962	24	12	can	can	AUX
eurjchem-1962	24	13	not	not	PART
eurjchem-1962	24	14	completely	completely	ADV
eurjchem-1962	24	15	replace	replace	VERB
eurjchem-1962	24	16	the	the	DET
eurjchem-1962	24	17	wet	wet	ADJ
eurjchem-1962	24	18	lab	lab	NOUN
eurjchem-1962	24	19	data	datum	NOUN
eurjchem-1962	24	20	of	of	ADP
eurjchem-1962	24	21	chemical	chemical	NOUN
eurjchem-1962	24	22	compounds	compound	NOUN
eurjchem-1962	24	23	or	or	CCONJ
eurjchem-1962	24	24	specific	specific	ADJ
eurjchem-1962	24	25	assays	assay	NOUN
eurjchem-1962	24	26	.	.	PUNCT
eurjchem-1962	25	1	castp	castp	PROPN
eurjchem-1962	25	2	admet	admet	PROPN
eurjchem-1962	25	3	string	string	PROPN
eurjchem-1962	25	4	chemaxon	chemaxon	PROPN
eurjchem-1962	25	5	doxorubicin	doxorubicin	PROPN
eurjchem-1962	25	6	mtiautodock	mtiautodock	PROPN
eurjchem-1962	25	7	cite	cite	VERB
eurjchem-1962	25	8	this	this	PRON
eurjchem-1962	25	9	:	:	PUNCT
eurjchem-1962	25	10	eur	eur	PROPN
eurjchem-1962	25	11	.	.	PUNCT
eurjchem-1962	26	1	j.	j.	PROPN
eurjchem-1962	26	2	chem	chem	PROPN
eurjchem-1962	26	3	.	.	PUNCT
eurjchem-1962	27	1	2020	2020	NUM
eurjchem-1962	27	2	,	,	PUNCT
eurjchem-1962	27	3	11(2	11(2	NUM
eurjchem-1962	27	4	)	)	PUNCT
eurjchem-1962	27	5	,	,	PUNCT
eurjchem-1962	27	6	168	168	NUM
eurjchem-1962	27	7	-	-	SYM
eurjchem-1962	27	8	178	178	NUM
eurjchem-1962	27	9	journal	journal	NOUN
eurjchem-1962	27	10	website	website	NOUN
eurjchem-1962	27	11	:	:	PUNCT
eurjchem-1962	27	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-1962	27	13	1	1	X
eurjchem-1962	27	14	.	.	PUNCT
eurjchem-1962	28	1	introduction	introduction	NOUN
eurjchem-1962	28	2	molecular	molecular	ADJ
eurjchem-1962	28	3	modeling	modeling	NOUN
eurjchem-1962	28	4	is	be	AUX
eurjchem-1962	28	5	a	a	DET
eurjchem-1962	28	6	computer	computer	NOUN
eurjchem-1962	28	7	-	-	PUNCT
eurjchem-1962	28	8	based	base	VERB
eurjchem-1962	28	9	tool	tool	NOUN
eurjchem-1962	28	10	for	for	ADP
eurjchem-1962	28	11	the	the	DET
eurjchem-1962	28	12	creation	creation	NOUN
eurjchem-1962	28	13	,	,	PUNCT
eurjchem-1962	28	14	representation	representation	NOUN
eurjchem-1962	28	15	and	and	CCONJ
eurjchem-1962	28	16	transformation	transformation	NOUN
eurjchem-1962	28	17	of	of	ADP
eurjchem-1962	28	18	small	small	ADJ
eurjchem-1962	28	19	molecule	molecule	NOUN
eurjchem-1962	28	20	drug	drug	NOUN
eurjchem-1962	28	21	candidates	candidate	NOUN
eurjchem-1962	28	22	into	into	ADP
eurjchem-1962	28	23	active	active	ADJ
eurjchem-1962	28	24	or	or	CCONJ
eurjchem-1962	28	25	efficient	efficient	ADJ
eurjchem-1962	28	26	drugs	drug	NOUN
eurjchem-1962	28	27	.	.	PUNCT
eurjchem-1962	29	1	the	the	DET
eurjchem-1962	29	2	search	search	NOUN
eurjchem-1962	29	3	for	for	ADP
eurjchem-1962	29	4	a	a	DET
eurjchem-1962	29	5	potential	potential	ADJ
eurjchem-1962	29	6	drug	drug	NOUN
eurjchem-1962	29	7	begins	begin	VERB
eurjchem-1962	29	8	from	from	ADP
eurjchem-1962	29	9	a	a	DET
eurjchem-1962	29	10	large	large	ADJ
eurjchem-1962	29	11	repository	repository	NOUN
eurjchem-1962	29	12	of	of	ADP
eurjchem-1962	29	13	synthetic	synthetic	ADJ
eurjchem-1962	29	14	molecules	molecule	NOUN
eurjchem-1962	29	15	which	which	PRON
eurjchem-1962	29	16	undergoes	undergo	VERB
eurjchem-1962	29	17	the	the	DET
eurjchem-1962	29	18	elimination	elimination	NOUN
eurjchem-1962	29	19	process	process	NOUN
eurjchem-1962	29	20	at	at	ADP
eurjchem-1962	29	21	different	different	ADJ
eurjchem-1962	29	22	steps	step	NOUN
eurjchem-1962	29	23	of	of	ADP
eurjchem-1962	29	24	drug	drug	NOUN
eurjchem-1962	29	25	discovery	discovery	NOUN
eurjchem-1962	29	26	process	process	NOUN
eurjchem-1962	29	27	.	.	PUNCT
eurjchem-1962	30	1	thus	thus	ADV
eurjchem-1962	30	2	,	,	PUNCT
eurjchem-1962	30	3	the	the	DET
eurjchem-1962	30	4	number	number	NOUN
eurjchem-1962	30	5	of	of	ADP
eurjchem-1962	30	6	bioactive	bioactive	ADJ
eurjchem-1962	30	7	drug	drug	NOUN
eurjchem-1962	30	8	molecules	molecule	NOUN
eurjchem-1962	30	9	will	will	AUX
eurjchem-1962	30	10	be	be	AUX
eurjchem-1962	30	11	very	very	ADV
eurjchem-1962	30	12	small	small	ADJ
eurjchem-1962	30	13	as	as	SCONJ
eurjchem-1962	30	14	compared	compare	VERB
eurjchem-1962	30	15	to	to	ADP
eurjchem-1962	30	16	a	a	DET
eurjchem-1962	30	17	vast	vast	ADJ
eurjchem-1962	30	18	collection	collection	NOUN
eurjchem-1962	30	19	of	of	ADP
eurjchem-1962	30	20	candidate	candidate	NOUN
eurjchem-1962	30	21	compounds	compound	NOUN
eurjchem-1962	30	22	[	[	X
eurjchem-1962	30	23	1	1	NUM
eurjchem-1962	30	24	]	]	PUNCT
eurjchem-1962	30	25	.	.	PUNCT
eurjchem-1962	31	1	in	in	ADP
eurjchem-1962	31	2	computational	computational	ADJ
eurjchem-1962	31	3	drug	drug	NOUN
eurjchem-1962	31	4	discovery	discovery	NOUN
eurjchem-1962	31	5	,	,	PUNCT
eurjchem-1962	31	6	there	there	PRON
eurjchem-1962	31	7	are	be	VERB
eurjchem-1962	31	8	several	several	ADJ
eurjchem-1962	31	9	parameters	parameter	NOUN
eurjchem-1962	31	10	that	that	PRON
eurjchem-1962	31	11	are	be	AUX
eurjchem-1962	31	12	needed	need	VERB
eurjchem-1962	31	13	to	to	PART
eurjchem-1962	31	14	be	be	AUX
eurjchem-1962	31	15	evaluated	evaluate	VERB
eurjchem-1962	31	16	to	to	PART
eurjchem-1962	31	17	check	check	VERB
eurjchem-1962	31	18	drug	drug	NOUN
eurjchem-1962	31	19	likeliness	likeliness	NOUN
eurjchem-1962	31	20	of	of	ADP
eurjchem-1962	31	21	molecules	molecule	NOUN
eurjchem-1962	31	22	,	,	PUNCT
eurjchem-1962	31	23	as	as	SCONJ
eurjchem-1962	31	24	shown	show	VERB
eurjchem-1962	31	25	in	in	ADP
eurjchem-1962	31	26	figure	figure	NOUN
eurjchem-1962	31	27	1	1	NUM
eurjchem-1962	31	28	.	.	PUNCT
eurjchem-1962	32	1	these	these	PRON
eurjchem-1962	32	2	include	include	VERB
eurjchem-1962	32	3	structural	structural	ADJ
eurjchem-1962	32	4	,	,	PUNCT
eurjchem-1962	32	5	molecular	molecular	ADJ
eurjchem-1962	32	6	and	and	CCONJ
eurjchem-1962	32	7	physico	physico	NOUN
eurjchem-1962	32	8	-	-	PUNCT
eurjchem-1962	32	9	chemical	chemical	NOUN
eurjchem-1962	32	10	properties	property	NOUN
eurjchem-1962	32	11	of	of	ADP
eurjchem-1962	32	12	a	a	DET
eurjchem-1962	32	13	small	small	ADJ
eurjchem-1962	32	14	molecule	molecule	NOUN
eurjchem-1962	32	15	,	,	PUNCT
eurjchem-1962	32	16	such	such	ADJ
eurjchem-1962	32	17	as	as	ADP
eurjchem-1962	32	18	their	their	PRON
eurjchem-1962	32	19	molecular	molecular	ADJ
eurjchem-1962	32	20	weight	weight	NOUN
eurjchem-1962	32	21	,	,	PUNCT
eurjchem-1962	32	22	hydrogen	hydrogen	NOUN
eurjchem-1962	32	23	bonding	bonding	NOUN
eurjchem-1962	32	24	ability	ability	NOUN
eurjchem-1962	32	25	,	,	PUNCT
eurjchem-1962	32	26	polarity	polarity	NOUN
eurjchem-1962	32	27	,	,	PUNCT
eurjchem-1962	32	28	lipophilicity	lipophilicity	NOUN
eurjchem-1962	32	29	and	and	CCONJ
eurjchem-1962	32	30	structural	structural	ADJ
eurjchem-1962	32	31	adaptation	adaptation	NOUN
eurjchem-1962	32	32	to	to	PART
eurjchem-1962	32	33	increase	increase	VERB
eurjchem-1962	32	34	their	their	PRON
eurjchem-1962	32	35	drug	drug	NOUN
eurjchem-1962	32	36	likeliness	likeliness	NOUN
eurjchem-1962	32	37	.	.	PUNCT
eurjchem-1962	33	1	in	in	ADP
eurjchem-1962	33	2	addition	addition	NOUN
eurjchem-1962	33	3	,	,	PUNCT
eurjchem-1962	33	4	prediction	prediction	NOUN
eurjchem-1962	33	5	of	of	ADP
eurjchem-1962	33	6	toxicity	toxicity	NOUN
eurjchem-1962	33	7	and	and	CCONJ
eurjchem-1962	33	8	their	their	PRON
eurjchem-1962	33	9	binding	bind	VERB
eurjchem-1962	33	10	capacity	capacity	NOUN
eurjchem-1962	33	11	with	with	ADP
eurjchem-1962	33	12	the	the	DET
eurjchem-1962	33	13	appropriate	appropriate	ADJ
eurjchem-1962	33	14	target	target	NOUN
eurjchem-1962	33	15	are	be	AUX
eurjchem-1962	33	16	also	also	ADV
eurjchem-1962	33	17	important	important	ADJ
eurjchem-1962	33	18	parameters	parameter	NOUN
eurjchem-1962	33	19	.	.	PUNCT
eurjchem-1962	34	1	all	all	DET
eurjchem-1962	34	2	these	these	DET
eurjchem-1962	34	3	multiple	multiple	ADJ
eurjchem-1962	34	4	criteria	criterion	NOUN
eurjchem-1962	34	5	should	should	AUX
eurjchem-1962	34	6	be	be	AUX
eurjchem-1962	34	7	fulfilled	fulfil	VERB
eurjchem-1962	34	8	by	by	ADP
eurjchem-1962	34	9	a	a	DET
eurjchem-1962	34	10	molecule	molecule	NOUN
eurjchem-1962	34	11	for	for	SCONJ
eurjchem-1962	34	12	it	it	PRON
eurjchem-1962	34	13	to	to	PART
eurjchem-1962	34	14	qualify	qualify	VERB
eurjchem-1962	34	15	as	as	ADP
eurjchem-1962	34	16	a	a	DET
eurjchem-1962	34	17	hit	hit	NOUN
eurjchem-1962	34	18	or	or	CCONJ
eurjchem-1962	34	19	lead	lead	ADJ
eurjchem-1962	34	20	candidate	candidate	NOUN
eurjchem-1962	34	21	in	in	ADP
eurjchem-1962	34	22	the	the	DET
eurjchem-1962	34	23	area	area	NOUN
eurjchem-1962	34	24	of	of	ADP
eurjchem-1962	34	25	computational	computational	ADJ
eurjchem-1962	34	26	drug	drug	NOUN
eurjchem-1962	34	27	design	design	NOUN
eurjchem-1962	34	28	pipeline	pipeline	NOUN
eurjchem-1962	34	29	.	.	PUNCT
eurjchem-1962	35	1	it	it	PRON
eurjchem-1962	35	2	is	be	AUX
eurjchem-1962	35	3	very	very	ADV
eurjchem-1962	35	4	important	important	ADJ
eurjchem-1962	35	5	that	that	SCONJ
eurjchem-1962	35	6	drug	drug	NOUN
eurjchem-1962	35	7	-	-	PUNCT
eurjchem-1962	35	8	like	like	ADJ
eurjchem-1962	35	9	properties	property	NOUN
eurjchem-1962	35	10	of	of	ADP
eurjchem-1962	35	11	compounds	compound	NOUN
eurjchem-1962	35	12	as	as	SCONJ
eurjchem-1962	35	13	identified	identify	VERB
eurjchem-1962	35	14	in	in	ADP
eurjchem-1962	35	15	the	the	DET
eurjchem-1962	35	16	virtual	virtual	ADJ
eurjchem-1962	35	17	screening	screening	NOUN
eurjchem-1962	35	18	must	must	AUX
eurjchem-1962	35	19	agree	agree	VERB
eurjchem-1962	35	20	with	with	ADP
eurjchem-1962	35	21	the	the	DET
eurjchem-1962	35	22	laboratory	laboratory	NOUN
eurjchem-1962	35	23	assays	assay	NOUN
eurjchem-1962	35	24	involving	involve	VERB
eurjchem-1962	35	25	the	the	DET
eurjchem-1962	35	26	specific	specific	ADJ
eurjchem-1962	35	27	target	target	NOUN
eurjchem-1962	35	28	in	in	ADP
eurjchem-1962	35	29	order	order	NOUN
eurjchem-1962	35	30	to	to	PART
eurjchem-1962	35	31	become	become	VERB
eurjchem-1962	35	32	a	a	DET
eurjchem-1962	35	33	potent	potent	ADJ
eurjchem-1962	35	34	drug	drug	NOUN
eurjchem-1962	35	35	.	.	PUNCT
eurjchem-1962	36	1	abstract	abstract	ADJ
eurjchem-1962	36	2	review	review	NOUN
eurjchem-1962	36	3	article	article	NOUN
eurjchem-1962	36	4	keywords	keyword	VERB
eurjchem-1962	36	5	http://dx.doi.org/10.5155/eurjchem.11.2.168-178.1962	http://dx.doi.org/10.5155/eurjchem.11.2.168-178.1962	PROPN
eurjchem-1962	36	6	http://www.eurjchem.com/	http://www.eurjchem.com/	NOUN
eurjchem-1962	36	7	http://dx.doi.org/10.5155/eurjchem.11.2.168-178.1962	http://dx.doi.org/10.5155/eurjchem.11.2.168-178.1962	PROPN
eurjchem-1962	36	8	mailto:praveenbiochemku@gmail.com	mailto:praveenbiochemku@gmail.com	PUNCT
eurjchem-1962	37	1	mailto:rajachur@gmail.com	mailto:rajachur@gmail.com	PROPN
eurjchem-1962	37	2	mailto:satya1782005@gmail.com	mailto:satya1782005@gmail.com	PROPN
eurjchem-1962	37	3	mailto:madhunapantulas@yahoo.com	mailto:madhunapantulas@yahoo.com	PROPN
eurjchem-1962	37	4	mailto:sk.genesan@gmail.com	mailto:sk.genesan@gmail.com	PROPN
eurjchem-1962	37	5	mailto:anr@kuvempu.ac.in	mailto:anr@kuvempu.ac.in	PROPN
eurjchem-1962	37	6	http://www.eurjchem.com/	http://www.eurjchem.com/	PROPN
eurjchem-1962	37	7	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.11.2.168-178.1962&domain=pdf&date_stamp=2020-06-30	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.11.2.168-178.1962&domain=pdf&date_stamp=2020-06-30	PROPN
eurjchem-1962	37	8	kumar	kumar	PROPN
eurjchem-1962	37	9	et	et	PROPN
eurjchem-1962	37	10	al	al	PROPN
eurjchem-1962	37	11	.	.	PUNCT
eurjchem-1962	37	12	/	/	SYM
eurjchem-1962	37	13	european	european	PROPN
eurjchem-1962	37	14	journal	journal	PROPN
eurjchem-1962	37	15	of	of	ADP
eurjchem-1962	37	16	chemistry	chemistry	NOUN
eurjchem-1962	37	17	11	11	NUM
eurjchem-1962	37	18	(	(	PUNCT
eurjchem-1962	37	19	2	2	NUM
eurjchem-1962	37	20	)	)	PUNCT
eurjchem-1962	37	21	(	(	PUNCT
eurjchem-1962	37	22	2020	2020	NUM
eurjchem-1962	37	23	)	)	PUNCT
eurjchem-1962	37	24	168	168	NUM
eurjchem-1962	37	25	-	-	SYM
eurjchem-1962	37	26	178	178	NUM
eurjchem-1962	37	27	169	169	NUM
eurjchem-1962	37	28	2020	2020	NUM
eurjchem-1962	37	29	–	–	PUNCT
eurjchem-1962	37	30	european	european	ADJ
eurjchem-1962	37	31	journal	journal	NOUN
eurjchem-1962	37	32	of	of	ADP
eurjchem-1962	37	33	chemistry	chemistry	NOUN
eurjchem-1962	37	34	–	–	PUNCT
eurjchem-1962	37	35	cc	cc	NOUN
eurjchem-1962	37	36	by	by	ADP
eurjchem-1962	37	37	nc	nc	PROPN
eurjchem-1962	37	38	–	–	PUNCT
eurjchem-1962	37	39	doi	doi	NOUN
eurjchem-1962	37	40	:	:	PUNCT
eurjchem-1962	37	41	10.5155	10.5155	NUM
eurjchem-1962	37	42	/	/	SYM
eurjchem-1962	37	43	eurjchem.11.2.168	eurjchem.11.2.168	NOUN
eurjchem-1962	37	44	-	-	PUNCT
eurjchem-1962	37	45	178.1962	178.1962	NUM
eurjchem-1962	37	46	structural	structural	ADJ
eurjchem-1962	37	47	and	and	CCONJ
eurjchem-1962	37	48	molecular	molecular	ADJ
eurjchem-1962	37	49	properties	property	NOUN
eurjchem-1962	37	50	molecular	molecular	ADJ
eurjchem-1962	37	51	weight	weight	NOUN
eurjchem-1962	37	52	hydrogen	hydrogen	NOUN
eurjchem-1962	37	53	bonding	bonding	NOUN
eurjchem-1962	37	54	polarity	polarity	NOUN
eurjchem-1962	37	55	structural	structural	ADJ
eurjchem-1962	37	56	modification	modification	NOUN
eurjchem-1962	37	57	to	to	PART
eurjchem-1962	37	58	increase	increase	VERB
eurjchem-1962	37	59	the	the	DET
eurjchem-1962	37	60	oral	oral	ADJ
eurjchem-1962	37	61	bio	bio	NOUN
eurjchem-1962	37	62	-	-	NOUN
eurjchem-1962	37	63	availability	availability	NOUN
eurjchem-1962	37	64	⇓	⇓	PROPN
eurjchem-1962	37	65	physicochemical	physicochemical	ADJ
eurjchem-1962	37	66	properties	property	NOUN
eurjchem-1962	37	67	solubility	solubility	NOUN
eurjchem-1962	37	68	and	and	CCONJ
eurjchem-1962	37	69	distribution	distribution	NOUN
eurjchem-1962	37	70	permeability	permeability	NOUN
eurjchem-1962	37	71	and	and	CCONJ
eurjchem-1962	37	72	lipophilicity	lipophilicity	NOUN
eurjchem-1962	37	73	stability	stability	NOUN
eurjchem-1962	37	74	pka	pka	PROPN
eurjchem-1962	37	75	⇓	⇓	PROPN
eurjchem-1962	37	76	biological	biological	ADJ
eurjchem-1962	37	77	properties	property	NOUN
eurjchem-1962	37	78	adsorption	adsorption	NOUN
eurjchem-1962	37	79	,	,	PUNCT
eurjchem-1962	37	80	distribution	distribution	NOUN
eurjchem-1962	37	81	,	,	PUNCT
eurjchem-1962	37	82	metabolism	metabolism	NOUN
eurjchem-1962	37	83	and	and	CCONJ
eurjchem-1962	37	84	excretion	excretion	NOUN
eurjchem-1962	37	85	(	(	PUNCT
eurjchem-1962	37	86	adme	adme	NOUN
eurjchem-1962	37	87	)	)	PUNCT
eurjchem-1962	37	88	transporters	transporter	NOUN
eurjchem-1962	37	89	,	,	PUNCT
eurjchem-1962	37	90	plasma	plasma	NOUN
eurjchem-1962	37	91	protein	protein	NOUN
eurjchem-1962	37	92	binding	bind	VERB
eurjchem-1962	37	93	and	and	CCONJ
eurjchem-1962	37	94	cyp	cyp	ADJ
eurjchem-1962	37	95	inhibition	inhibition	NOUN
eurjchem-1962	37	96	toxicity	toxicity	NOUN
eurjchem-1962	37	97	and	and	CCONJ
eurjchem-1962	37	98	safety	safety	NOUN
eurjchem-1962	37	99	figure	figure	NOUN
eurjchem-1962	37	100	1	1	NUM
eurjchem-1962	37	101	.	.	PUNCT
eurjchem-1962	37	102	schematic	schematic	ADJ
eurjchem-1962	37	103	representation	representation	NOUN
eurjchem-1962	37	104	of	of	ADP
eurjchem-1962	37	105	pharmaceutical	pharmaceutical	NOUN
eurjchem-1962	37	106	profiling	profiling	NOUN
eurjchem-1962	37	107	and	and	CCONJ
eurjchem-1962	37	108	drug	drug	NOUN
eurjchem-1962	37	109	discovery	discovery	NOUN
eurjchem-1962	37	110	stages	stage	NOUN
eurjchem-1962	37	111	and	and	CCONJ
eurjchem-1962	37	112	their	their	PRON
eurjchem-1962	37	113	associated	associated	ADJ
eurjchem-1962	37	114	parameters	parameter	NOUN
eurjchem-1962	37	115	.	.	PUNCT
eurjchem-1962	38	1	a	a	DET
eurjchem-1962	38	2	drug	drug	NOUN
eurjchem-1962	38	3	target	target	NOUN
eurjchem-1962	38	4	is	be	AUX
eurjchem-1962	38	5	usually	usually	ADV
eurjchem-1962	38	6	a	a	DET
eurjchem-1962	38	7	main	main	ADJ
eurjchem-1962	38	8	molecule	molecule	NOUN
eurjchem-1962	38	9	that	that	PRON
eurjchem-1962	38	10	involves	involve	VERB
eurjchem-1962	38	11	particular	particular	ADJ
eurjchem-1962	38	12	metabolic	metabolic	NOUN
eurjchem-1962	38	13	or	or	CCONJ
eurjchem-1962	38	14	signaling	signal	VERB
eurjchem-1962	38	15	pathways	pathway	NOUN
eurjchem-1962	38	16	that	that	PRON
eurjchem-1962	38	17	are	be	AUX
eurjchem-1962	38	18	unique	unique	ADJ
eurjchem-1962	38	19	to	to	ADP
eurjchem-1962	38	20	a	a	DET
eurjchem-1962	38	21	state	state	NOUN
eurjchem-1962	38	22	of	of	ADP
eurjchem-1962	38	23	the	the	DET
eurjchem-1962	38	24	disease	disease	NOUN
eurjchem-1962	38	25	.	.	PUNCT
eurjchem-1962	39	1	in	in	ADP
eurjchem-1962	39	2	this	this	DET
eurjchem-1962	39	3	manuscript	manuscript	NOUN
eurjchem-1962	39	4	,	,	PUNCT
eurjchem-1962	39	5	we	we	PRON
eurjchem-1962	39	6	have	have	AUX
eurjchem-1962	39	7	presented	present	VERB
eurjchem-1962	39	8	a	a	DET
eurjchem-1962	39	9	compilation	compilation	NOUN
eurjchem-1962	39	10	of	of	ADP
eurjchem-1962	39	11	some	some	PRON
eurjchem-1962	39	12	of	of	ADP
eurjchem-1962	39	13	the	the	DET
eurjchem-1962	39	14	freely	freely	ADV
eurjchem-1962	39	15	accessible	accessible	ADJ
eurjchem-1962	39	16	online	online	ADJ
eurjchem-1962	39	17	resources	resource	NOUN
eurjchem-1962	39	18	that	that	PRON
eurjchem-1962	39	19	are	be	AUX
eurjchem-1962	39	20	frequently	frequently	ADV
eurjchem-1962	39	21	used	use	VERB
eurjchem-1962	39	22	in	in	ADP
eurjchem-1962	39	23	drug	drug	NOUN
eurjchem-1962	39	24	discovery	discovery	NOUN
eurjchem-1962	39	25	.	.	PUNCT
eurjchem-1962	40	1	for	for	ADP
eurjchem-1962	40	2	the	the	DET
eurjchem-1962	40	3	purpose	purpose	NOUN
eurjchem-1962	40	4	of	of	ADP
eurjchem-1962	40	5	demonstration	demonstration	NOUN
eurjchem-1962	40	6	,	,	PUNCT
eurjchem-1962	40	7	a	a	DET
eurjchem-1962	40	8	common	common	ADJ
eurjchem-1962	40	9	drug	drug	NOUN
eurjchem-1962	40	10	molecule	molecule	NOUN
eurjchem-1962	40	11	such	such	ADJ
eurjchem-1962	40	12	as	as	ADP
eurjchem-1962	40	13	doxorubicin	doxorubicin	PROPN
eurjchem-1962	40	14	has	have	AUX
eurjchem-1962	40	15	been	be	AUX
eurjchem-1962	40	16	selected	select	VERB
eurjchem-1962	40	17	from	from	ADP
eurjchem-1962	40	18	zinc	zinc	NOUN
eurjchem-1962	40	19	database	database	NOUN
eurjchem-1962	40	20	,	,	PUNCT
eurjchem-1962	40	21	which	which	PRON
eurjchem-1962	40	22	is	be	AUX
eurjchem-1962	40	23	a	a	DET
eurjchem-1962	40	24	collection	collection	NOUN
eurjchem-1962	40	25	of	of	ADP
eurjchem-1962	40	26	commercially	commercially	ADV
eurjchem-1962	40	27	produced	produce	VERB
eurjchem-1962	40	28	substances	substance	NOUN
eurjchem-1962	40	29	designed	design	VERB
eurjchem-1962	40	30	for	for	ADP
eurjchem-1962	40	31	virtual	virtual	ADJ
eurjchem-1962	40	32	screening	screening	NOUN
eurjchem-1962	40	33	.	.	PUNCT
eurjchem-1962	41	1	the	the	DET
eurjchem-1962	41	2	specific	specific	ADJ
eurjchem-1962	41	3	characteristic	characteristic	ADJ
eurjchem-1962	41	4	properties	property	NOUN
eurjchem-1962	41	5	of	of	ADP
eurjchem-1962	41	6	this	this	DET
eurjchem-1962	41	7	drug	drug	NOUN
eurjchem-1962	41	8	molecule	molecule	NOUN
eurjchem-1962	41	9	were	be	AUX
eurjchem-1962	41	10	evaluated	evaluate	VERB
eurjchem-1962	41	11	using	use	VERB
eurjchem-1962	41	12	the	the	DET
eurjchem-1962	41	13	available	available	ADJ
eurjchem-1962	41	14	online	online	ADJ
eurjchem-1962	41	15	tools	tool	NOUN
eurjchem-1962	41	16	.	.	PUNCT
eurjchem-1962	42	1	the	the	DET
eurjchem-1962	42	2	target	target	NOUN
eurjchem-1962	42	3	was	be	AUX
eurjchem-1962	42	4	identified	identify	VERB
eurjchem-1962	42	5	,	,	PUNCT
eurjchem-1962	42	6	binding	bind	VERB
eurjchem-1962	42	7	pockets	pocket	NOUN
eurjchem-1962	42	8	analyzed	analyze	VERB
eurjchem-1962	42	9	,	,	PUNCT
eurjchem-1962	42	10	virtual	virtual	ADJ
eurjchem-1962	42	11	testing	testing	NOUN
eurjchem-1962	42	12	and	and	CCONJ
eurjchem-1962	42	13	compound	compound	NOUN
eurjchem-1962	42	14	profiling	profiling	NOUN
eurjchem-1962	42	15	were	be	AUX
eurjchem-1962	42	16	performed	perform	VERB
eurjchem-1962	42	17	to	to	PART
eurjchem-1962	42	18	highlight	highlight	VERB
eurjchem-1962	42	19	the	the	DET
eurjchem-1962	42	20	importance	importance	NOUN
eurjchem-1962	42	21	of	of	ADP
eurjchem-1962	42	22	in	in	ADP
eurjchem-1962	42	23	silico	silico	NOUN
eurjchem-1962	42	24	drug	drug	NOUN
eurjchem-1962	42	25	design	design	NOUN
eurjchem-1962	42	26	tools	tool	NOUN
eurjchem-1962	42	27	.	.	PUNCT
eurjchem-1962	43	1	although	although	SCONJ
eurjchem-1962	43	2	various	various	ADJ
eurjchem-1962	43	3	docking	docking	NOUN
eurjchem-1962	43	4	algorithms	algorithms	NOUN
eurjchem-1962	43	5	-	-	PUNCT
eurjchem-1962	43	6	based	base	VERB
eurjchem-1962	43	7	tools	tool	NOUN
eurjchem-1962	43	8	are	be	AUX
eurjchem-1962	43	9	available	available	ADJ
eurjchem-1962	43	10	online	online	ADV
eurjchem-1962	43	11	,	,	PUNCT
eurjchem-1962	43	12	an	an	DET
eurjchem-1962	43	13	understanding	understanding	NOUN
eurjchem-1962	43	14	of	of	ADP
eurjchem-1962	43	15	each	each	DET
eurjchem-1962	43	16	method	method	NOUN
eurjchem-1962	43	17	’s	’s	PART
eurjchem-1962	43	18	advantages	advantage	NOUN
eurjchem-1962	43	19	and	and	CCONJ
eurjchem-1962	43	20	limitations	limitation	NOUN
eurjchem-1962	43	21	is	be	AUX
eurjchem-1962	43	22	of	of	ADP
eurjchem-1962	43	23	fundamental	fundamental	ADJ
eurjchem-1962	43	24	importance	importance	NOUN
eurjchem-1962	43	25	in	in	ADP
eurjchem-1962	43	26	designing	design	VERB
eurjchem-1962	43	27	successful	successful	ADJ
eurjchem-1962	43	28	strategies	strategy	NOUN
eurjchem-1962	43	29	and	and	CCONJ
eurjchem-1962	43	30	obtaining	obtain	VERB
eurjchem-1962	43	31	the	the	DET
eurjchem-1962	43	32	expected	expect	VERB
eurjchem-1962	43	33	results	result	NOUN
eurjchem-1962	43	34	.	.	PUNCT
eurjchem-1962	44	1	thus	thus	ADV
eurjchem-1962	44	2	,	,	PUNCT
eurjchem-1962	44	3	the	the	DET
eurjchem-1962	44	4	aim	aim	NOUN
eurjchem-1962	44	5	of	of	ADP
eurjchem-1962	44	6	this	this	DET
eurjchem-1962	44	7	study	study	NOUN
eurjchem-1962	44	8	was	be	AUX
eurjchem-1962	44	9	to	to	PART
eurjchem-1962	44	10	compare	compare	VERB
eurjchem-1962	44	11	some	some	PRON
eurjchem-1962	44	12	of	of	ADP
eurjchem-1962	44	13	the	the	DET
eurjchem-1962	44	14	currently	currently	ADV
eurjchem-1962	44	15	available	available	ADJ
eurjchem-1962	44	16	online	online	ADJ
eurjchem-1962	44	17	accessible	accessible	ADJ
eurjchem-1962	44	18	tools	tool	NOUN
eurjchem-1962	44	19	for	for	ADP
eurjchem-1962	44	20	the	the	DET
eurjchem-1962	44	21	pharmacokinetic	pharmacokinetic	ADJ
eurjchem-1962	44	22	evaluation	evaluation	NOUN
eurjchem-1962	44	23	and	and	CCONJ
eurjchem-1962	44	24	molecular	molecular	ADJ
eurjchem-1962	44	25	docking	docking	NOUN
eurjchem-1962	44	26	studies	study	NOUN
eurjchem-1962	44	27	utilized	utilize	VERB
eurjchem-1962	44	28	in	in	ADP
eurjchem-1962	44	29	drug	drug	NOUN
eurjchem-1962	44	30	discovery	discovery	NOUN
eurjchem-1962	44	31	and	and	CCONJ
eurjchem-1962	44	32	medicinal	medicinal	ADJ
eurjchem-1962	44	33	chemistry	chemistry	NOUN
eurjchem-1962	44	34	.	.	PUNCT
eurjchem-1962	45	1	2	2	X
eurjchem-1962	45	2	.	.	X
eurjchem-1962	45	3	online	online	ADJ
eurjchem-1962	45	4	resources	resource	NOUN
eurjchem-1962	45	5	for	for	ADP
eurjchem-1962	45	6	drug	drug	NOUN
eurjchem-1962	45	7	discovery	discovery	NOUN
eurjchem-1962	45	8	and	and	CCONJ
eurjchem-1962	45	9	development	development	NOUN
eurjchem-1962	45	10	over	over	ADP
eurjchem-1962	45	11	the	the	DET
eurjchem-1962	45	12	last	last	ADJ
eurjchem-1962	45	13	few	few	ADJ
eurjchem-1962	45	14	years	year	NOUN
eurjchem-1962	45	15	,	,	PUNCT
eurjchem-1962	45	16	plenty	plenty	NOUN
eurjchem-1962	45	17	of	of	ADP
eurjchem-1962	45	18	free	free	ADJ
eurjchem-1962	45	19	online	online	ADJ
eurjchem-1962	45	20	tools	tool	NOUN
eurjchem-1962	45	21	are	be	AUX
eurjchem-1962	45	22	available	available	ADJ
eurjchem-1962	45	23	to	to	PART
eurjchem-1962	45	24	encourage	encourage	VERB
eurjchem-1962	45	25	and	and	CCONJ
eurjchem-1962	45	26	promote	promote	VERB
eurjchem-1962	45	27	drug	drug	NOUN
eurjchem-1962	45	28	development	development	NOUN
eurjchem-1962	45	29	research	research	NOUN
eurjchem-1962	45	30	.	.	PUNCT
eurjchem-1962	46	1	these	these	DET
eurjchem-1962	46	2	sites	site	NOUN
eurjchem-1962	46	3	assist	assist	VERB
eurjchem-1962	46	4	withdrawing	withdraw	VERB
eurjchem-1962	46	5	and	and	CCONJ
eurjchem-1962	46	6	converting	converting	NOUN
eurjchem-1962	46	7	of	of	ADP
eurjchem-1962	46	8	the	the	DET
eurjchem-1962	46	9	chemical	chemical	NOUN
eurjchem-1962	46	10	structures	structure	NOUN
eurjchem-1962	46	11	into	into	ADP
eurjchem-1962	46	12	appropriate	appropriate	ADJ
eurjchem-1962	46	13	formats	format	NOUN
eurjchem-1962	46	14	,	,	PUNCT
eurjchem-1962	46	15	including	include	VERB
eurjchem-1962	46	16	mdl	mdl	PROPN
eurjchem-1962	46	17	mol	mol	PROPN
eurjchem-1962	46	18	,	,	PUNCT
eurjchem-1962	46	19	smiles	smile	NOUN
eurjchem-1962	46	20	,	,	PUNCT
eurjchem-1962	46	21	sdf	sdf	NOUN
eurjchem-1962	46	22	and	and	CCONJ
eurjchem-1962	46	23	several	several	ADJ
eurjchem-1962	46	24	other	other	ADJ
eurjchem-1962	46	25	formats	format	NOUN
eurjchem-1962	46	26	which	which	PRON
eurjchem-1962	46	27	are	be	AUX
eurjchem-1962	46	28	compatible	compatible	ADJ
eurjchem-1962	46	29	inputs	input	NOUN
eurjchem-1962	46	30	for	for	ADP
eurjchem-1962	46	31	the	the	DET
eurjchem-1962	46	32	selected	select	VERB
eurjchem-1962	46	33	web	web	NOUN
eurjchem-1962	46	34	tools	tool	NOUN
eurjchem-1962	46	35	.	.	PUNCT
eurjchem-1962	47	1	marvin	marvin	PROPN
eurjchem-1962	47	2	suite	suite	PROPN
eurjchem-1962	47	3	is	be	AUX
eurjchem-1962	47	4	a	a	DET
eurjchem-1962	47	5	smart	smart	ADJ
eurjchem-1962	47	6	online	online	ADJ
eurjchem-1962	47	7	toolkit	toolkit	NOUN
eurjchem-1962	47	8	designed	design	VERB
eurjchem-1962	47	9	to	to	PART
eurjchem-1962	47	10	help	help	VERB
eurjchem-1962	47	11	editing	edit	VERB
eurjchem-1962	47	12	the	the	DET
eurjchem-1962	47	13	skeleton	skeleton	NOUN
eurjchem-1962	47	14	of	of	ADP
eurjchem-1962	47	15	a	a	DET
eurjchem-1962	47	16	molecule	molecule	NOUN
eurjchem-1962	47	17	(	(	PUNCT
eurjchem-1962	47	18	https://academia.chemaxon.com	https://academia.chemaxon.com	X
eurjchem-1962	47	19	)	)	PUNCT
eurjchem-1962	48	1	[	[	X
eurjchem-1962	48	2	2	2	NUM
eurjchem-1962	48	3	]	]	PUNCT
eurjchem-1962	48	4	.	.	PUNCT
eurjchem-1962	49	1	this	this	DET
eurjchem-1962	49	2	program	program	NOUN
eurjchem-1962	49	3	has	have	VERB
eurjchem-1962	49	4	a	a	DET
eurjchem-1962	49	5	function	function	NOUN
eurjchem-1962	49	6	that	that	PRON
eurjchem-1962	49	7	automatically	automatically	ADV
eurjchem-1962	49	8	detects	detect	VERB
eurjchem-1962	49	9	the	the	DET
eurjchem-1962	49	10	structure	structure	NOUN
eurjchem-1962	49	11	of	of	ADP
eurjchem-1962	49	12	a	a	DET
eurjchem-1962	49	13	chemical	chemical	NOUN
eurjchem-1962	49	14	molecule	molecule	NOUN
eurjchem-1962	49	15	from	from	ADP
eurjchem-1962	49	16	any	any	DET
eurjchem-1962	49	17	input	input	NOUN
eurjchem-1962	49	18	format	format	NOUN
eurjchem-1962	49	19	.	.	PUNCT
eurjchem-1962	50	1	chemdraw	chemdraw	PROPN
eurjchem-1962	50	2	js	js	PROPN
eurjchem-1962	50	3	,	,	PUNCT
eurjchem-1962	50	4	a	a	DET
eurjchem-1962	50	5	web	web	NOUN
eurjchem-1962	50	6	version	version	NOUN
eurjchem-1962	50	7	of	of	ADP
eurjchem-1962	50	8	chemdraw	chemdraw	NOUN
eurjchem-1962	50	9	helps	help	VERB
eurjchem-1962	50	10	to	to	PART
eurjchem-1962	50	11	build	build	VERB
eurjchem-1962	50	12	javascript	javascript	NOUN
eurjchem-1962	50	13	and	and	CCONJ
eurjchem-1962	50	14	html5	html5	PROPN
eurjchem-1962	50	15	web	web	NOUN
eurjchem-1962	50	16	applications	application	NOUN
eurjchem-1962	50	17	(	(	PUNCT
eurjchem-1962	50	18	https://chemdrawdirect.perkinelmer.cloud/	https://chemdrawdirect.perkinelmer.cloud/	X
eurjchem-1962	50	19	rest/	rest/	NOUN
eurjchem-1962	50	20	)	)	PUNCT
eurjchem-1962	51	1	[	[	X
eurjchem-1962	51	2	3	3	NUM
eurjchem-1962	51	3	]	]	PUNCT
eurjchem-1962	51	4	.	.	PUNCT
eurjchem-1962	52	1	all	all	DET
eurjchem-1962	52	2	kinds	kind	NOUN
eurjchem-1962	52	3	of	of	ADP
eurjchem-1962	52	4	scientific	scientific	ADJ
eurjchem-1962	52	5	template	template	NOUN
eurjchem-1962	52	6	inputs	input	NOUN
eurjchem-1962	52	7	can	can	AUX
eurjchem-1962	52	8	be	be	AUX
eurjchem-1962	52	9	made	make	VERB
eurjchem-1962	52	10	into	into	ADP
eurjchem-1962	52	11	a	a	DET
eurjchem-1962	52	12	better	well	ADJ
eurjchem-1962	52	13	presentation	presentation	NOUN
eurjchem-1962	52	14	in	in	ADP
eurjchem-1962	52	15	this	this	DET
eurjchem-1962	52	16	web	web	NOUN
eurjchem-1962	52	17	tool	tool	NOUN
eurjchem-1962	52	18	with	with	ADP
eurjchem-1962	52	19	modeling	modeling	NOUN
eurjchem-1962	52	20	of	of	ADP
eurjchem-1962	52	21	small	small	ADJ
eurjchem-1962	52	22	molecules	molecule	NOUN
eurjchem-1962	52	23	.	.	PUNCT
eurjchem-1962	53	1	molview	molview	NOUN
eurjchem-1962	53	2	v2.4	v2.4	NOUN
eurjchem-1962	53	3	is	be	AUX
eurjchem-1962	53	4	a	a	DET
eurjchem-1962	53	5	program	program	NOUN
eurjchem-1962	53	6	that	that	PRON
eurjchem-1962	53	7	allows	allow	VERB
eurjchem-1962	53	8	the	the	DET
eurjchem-1962	53	9	user	user	NOUN
eurjchem-1962	53	10	to	to	PART
eurjchem-1962	53	11	analyze	analyze	VERB
eurjchem-1962	53	12	and	and	CCONJ
eurjchem-1962	53	13	display	display	VERB
eurjchem-1962	53	14	molecular	molecular	ADJ
eurjchem-1962	53	15	structure	structure	NOUN
eurjchem-1962	53	16	in	in	ADP
eurjchem-1962	53	17	any	any	DET
eurjchem-1962	53	18	format	format	NOUN
eurjchem-1962	53	19	[	[	X
eurjchem-1962	53	20	4	4	NUM
eurjchem-1962	53	21	]	]	PUNCT
eurjchem-1962	53	22	.	.	PUNCT
eurjchem-1962	54	1	this	this	DET
eurjchem-1962	54	2	program	program	NOUN
eurjchem-1962	54	3	can	can	AUX
eurjchem-1962	54	4	read	read	VERB
eurjchem-1962	54	5	small	small	ADJ
eurjchem-1962	54	6	molecules	molecule	NOUN
eurjchem-1962	54	7	in	in	ADP
eurjchem-1962	54	8	any	any	DET
eurjchem-1962	54	9	format	format	NOUN
eurjchem-1962	54	10	including	include	VERB
eurjchem-1962	54	11	pdb	pdb	PROPN
eurjchem-1962	54	12	structure	structure	NOUN
eurjchem-1962	54	13	files	file	NOUN
eurjchem-1962	54	14	such	such	ADJ
eurjchem-1962	54	15	as	as	ADP
eurjchem-1962	54	16	american	american	PROPN
eurjchem-1962	54	17	standard	standard	PROPN
eurjchem-1962	54	18	code	code	PROPN
eurjchem-1962	54	19	for	for	ADP
eurjchem-1962	54	20	information	information	NOUN
eurjchem-1962	54	21	interchange	interchange	NOUN
eurjchem-1962	54	22	(	(	PUNCT
eurjchem-1962	54	23	ascii	ascii	NOUN
eurjchem-1962	54	24	)	)	PUNCT
eurjchem-1962	54	25	.	.	PUNCT
eurjchem-1962	55	1	the	the	DET
eurjchem-1962	55	2	structure	structure	NOUN
eurjchem-1962	55	3	can	can	AUX
eurjchem-1962	55	4	further	far	ADV
eurjchem-1962	55	5	be	be	AUX
eurjchem-1962	55	6	screened	screen	VERB
eurjchem-1962	55	7	and	and	CCONJ
eurjchem-1962	55	8	analyzed	analyze	VERB
eurjchem-1962	55	9	by	by	ADP
eurjchem-1962	55	10	showing	show	VERB
eurjchem-1962	55	11	hydrogen	hydrogen	NOUN
eurjchem-1962	55	12	bonds	bond	NOUN
eurjchem-1962	55	13	,	,	PUNCT
eurjchem-1962	55	14	constructing	construct	VERB
eurjchem-1962	55	15	ramachandran	ramachandran	NOUN
eurjchem-1962	55	16	plots	plot	NOUN
eurjchem-1962	55	17	for	for	ADP
eurjchem-1962	55	18	favorable	favorable	ADJ
eurjchem-1962	55	19	residues	residue	NOUN
eurjchem-1962	55	20	,	,	PUNCT
eurjchem-1962	55	21	marking	mark	VERB
eurjchem-1962	55	22	the	the	DET
eurjchem-1962	55	23	atoms	atom	NOUN
eurjchem-1962	55	24	,	,	PUNCT
eurjchem-1962	55	25	calculating	calculate	VERB
eurjchem-1962	55	26	the	the	DET
eurjchem-1962	55	27	distance	distance	NOUN
eurjchem-1962	55	28	between	between	ADP
eurjchem-1962	55	29	atoms	atom	NOUN
eurjchem-1962	55	30	and	and	CCONJ
eurjchem-1962	55	31	finding	find	VERB
eurjchem-1962	55	32	adjacent	adjacent	ADJ
eurjchem-1962	55	33	atoms	atom	NOUN
eurjchem-1962	55	34	.	.	PUNCT
eurjchem-1962	56	1	this	this	DET
eurjchem-1962	56	2	program	program	NOUN
eurjchem-1962	56	3	also	also	ADV
eurjchem-1962	56	4	helps	help	VERB
eurjchem-1962	56	5	to	to	PART
eurjchem-1962	56	6	carry	carry	VERB
eurjchem-1962	56	7	out	out	ADP
eurjchem-1962	56	8	structural	structural	ADJ
eurjchem-1962	56	9	analysis	analysis	NOUN
eurjchem-1962	56	10	by	by	ADP
eurjchem-1962	56	11	updating	update	VERB
eurjchem-1962	56	12	their	their	PRON
eurjchem-1962	56	13	database	database	NOUN
eurjchem-1962	56	14	interlinked	interlink	VERB
eurjchem-1962	56	15	with	with	ADP
eurjchem-1962	56	16	pubchem	pubchem	NOUN
eurjchem-1962	56	17	molecules	molecule	NOUN
eurjchem-1962	56	18	,	,	PUNCT
eurjchem-1962	56	19	rcsb	rcsb	VERB
eurjchem-1962	56	20	protein	protein	NOUN
eurjchem-1962	56	21	database	database	NOUN
eurjchem-1962	56	22	and	and	CCONJ
eurjchem-1962	56	23	crystallographic	crystallographic	ADJ
eurjchem-1962	56	24	database	database	NOUN
eurjchem-1962	56	25	.	.	PUNCT
eurjchem-1962	57	1	by	by	ADP
eurjchem-1962	57	2	the	the	DET
eurjchem-1962	57	3	help	help	NOUN
eurjchem-1962	57	4	of	of	ADP
eurjchem-1962	57	5	these	these	DET
eurjchem-1962	57	6	tools	tool	NOUN
eurjchem-1962	57	7	,	,	PUNCT
eurjchem-1962	57	8	once	once	SCONJ
eurjchem-1962	57	9	the	the	DET
eurjchem-1962	57	10	lead	lead	ADJ
eurjchem-1962	57	11	molecule	molecule	NOUN
eurjchem-1962	57	12	is	be	AUX
eurjchem-1962	57	13	in	in	ADP
eurjchem-1962	57	14	hand	hand	NOUN
eurjchem-1962	57	15	,	,	PUNCT
eurjchem-1962	57	16	it	it	PRON
eurjchem-1962	57	17	is	be	AUX
eurjchem-1962	57	18	very	very	ADV
eurjchem-1962	57	19	important	important	ADJ
eurjchem-1962	57	20	to	to	PART
eurjchem-1962	57	21	find	find	VERB
eurjchem-1962	57	22	out	out	ADP
eurjchem-1962	57	23	ways	way	NOUN
eurjchem-1962	57	24	to	to	PART
eurjchem-1962	57	25	transform	transform	VERB
eurjchem-1962	57	26	these	these	DET
eurjchem-1962	57	27	molecules	molecule	NOUN
eurjchem-1962	57	28	to	to	PART
eurjchem-1962	57	29	improve	improve	VERB
eurjchem-1962	57	30	the	the	DET
eurjchem-1962	57	31	desired	desire	VERB
eurjchem-1962	57	32	pharmacological	pharmacological	ADJ
eurjchem-1962	57	33	properties	property	NOUN
eurjchem-1962	57	34	.	.	PUNCT
eurjchem-1962	58	1	the	the	DET
eurjchem-1962	58	2	reason	reason	NOUN
eurjchem-1962	58	3	why	why	SCONJ
eurjchem-1962	58	4	many	many	ADJ
eurjchem-1962	58	5	drug	drug	NOUN
eurjchem-1962	58	6	molecules	molecule	NOUN
eurjchem-1962	58	7	fail	fail	VERB
eurjchem-1962	58	8	to	to	PART
eurjchem-1962	58	9	develop	develop	VERB
eurjchem-1962	58	10	into	into	ADP
eurjchem-1962	58	11	lead	lead	ADJ
eurjchem-1962	58	12	molecules	molecule	NOUN
eurjchem-1962	58	13	is	be	AUX
eurjchem-1962	58	14	because	because	SCONJ
eurjchem-1962	58	15	of	of	ADP
eurjchem-1962	58	16	exhibition	exhibition	NOUN
eurjchem-1962	58	17	of	of	ADP
eurjchem-1962	58	18	weak	weak	ADJ
eurjchem-1962	58	19	drug	drug	NOUN
eurjchem-1962	58	20	-	-	PUNCT
eurjchem-1962	58	21	like	like	ADJ
eurjchem-1962	58	22	properties	property	NOUN
eurjchem-1962	58	23	which	which	PRON
eurjchem-1962	58	24	could	could	AUX
eurjchem-1962	58	25	be	be	AUX
eurjchem-1962	58	26	improved	improve	VERB
eurjchem-1962	58	27	by	by	ADP
eurjchem-1962	58	28	increasing	increase	VERB
eurjchem-1962	58	29	its	its	PRON
eurjchem-1962	58	30	binding	bind	VERB
eurjchem-1962	58	31	affinity	affinity	NOUN
eurjchem-1962	58	32	to	to	ADP
eurjchem-1962	58	33	a	a	DET
eurjchem-1962	58	34	receptor	receptor	NOUN
eurjchem-1962	58	35	or	or	CCONJ
eurjchem-1962	58	36	target	target	NOUN
eurjchem-1962	58	37	.	.	PUNCT
eurjchem-1962	59	1	for	for	ADP
eurjchem-1962	59	2	this	this	PRON
eurjchem-1962	59	3	,	,	PUNCT
eurjchem-1962	59	4	it	it	PRON
eurjchem-1962	59	5	is	be	AUX
eurjchem-1962	59	6	critical	critical	ADJ
eurjchem-1962	59	7	to	to	PART
eurjchem-1962	59	8	know	know	VERB
eurjchem-1962	59	9	the	the	DET
eurjchem-1962	59	10	structural	structural	ADJ
eurjchem-1962	59	11	or	or	CCONJ
eurjchem-1962	59	12	molecular	molecular	ADJ
eurjchem-1962	59	13	,	,	PUNCT
eurjchem-1962	59	14	physicochemical	physicochemical	ADJ
eurjchem-1962	59	15	and	and	CCONJ
eurjchem-1962	59	16	biological	biological	ADJ
eurjchem-1962	59	17	properties	property	NOUN
eurjchem-1962	59	18	of	of	ADP
eurjchem-1962	59	19	any	any	DET
eurjchem-1962	59	20	potential	potential	ADJ
eurjchem-1962	59	21	small	small	ADJ
eurjchem-1962	59	22	molecule	molecule	NOUN
eurjchem-1962	59	23	in	in	ADP
eurjchem-1962	59	24	the	the	DET
eurjchem-1962	59	25	process	process	NOUN
eurjchem-1962	59	26	of	of	ADP
eurjchem-1962	59	27	drug	drug	NOUN
eurjchem-1962	59	28	discovery	discovery	NOUN
eurjchem-1962	59	29	(	(	PUNCT
eurjchem-1962	59	30	figure	figure	NOUN
eurjchem-1962	59	31	1	1	NUM
eurjchem-1962	59	32	)	)	PUNCT
eurjchem-1962	59	33	.	.	PUNCT
eurjchem-1962	60	1	3	3	X
eurjchem-1962	60	2	.	.	NOUN
eurjchem-1962	60	3	structural	structural	ADJ
eurjchem-1962	60	4	and	and	CCONJ
eurjchem-1962	60	5	molecular	molecular	ADJ
eurjchem-1962	60	6	properties	property	NOUN
eurjchem-1962	60	7	3.1	3.1	NUM
eurjchem-1962	60	8	.	.	PUNCT
eurjchem-1962	61	1	molecular	molecular	ADJ
eurjchem-1962	61	2	weight	weight	NOUN
eurjchem-1962	61	3	the	the	DET
eurjchem-1962	61	4	molecular	molecular	ADJ
eurjchem-1962	61	5	weight	weight	NOUN
eurjchem-1962	61	6	of	of	ADP
eurjchem-1962	61	7	an	an	DET
eurjchem-1962	61	8	organic	organic	ADJ
eurjchem-1962	61	9	compound	compound	NOUN
eurjchem-1962	61	10	plays	play	VERB
eurjchem-1962	61	11	an	an	DET
eurjchem-1962	61	12	important	important	ADJ
eurjchem-1962	61	13	role	role	NOUN
eurjchem-1962	61	14	as	as	SCONJ
eurjchem-1962	61	15	it	it	PRON
eurjchem-1962	61	16	should	should	AUX
eurjchem-1962	61	17	follow	follow	VERB
eurjchem-1962	61	18	the	the	DET
eurjchem-1962	61	19	lipinski	lipinski	PROPN
eurjchem-1962	61	20	rule	rule	NOUN
eurjchem-1962	61	21	of	of	ADP
eurjchem-1962	61	22	5	5	NUM
eurjchem-1962	61	23	according	accord	VERB
eurjchem-1962	61	24	to	to	ADP
eurjchem-1962	61	25	which	which	PRON
eurjchem-1962	61	26	smaller	small	ADJ
eurjchem-1962	61	27	molecules	molecule	NOUN
eurjchem-1962	61	28	are	be	AUX
eurjchem-1962	61	29	better	well	ADJ
eurjchem-1962	61	30	as	as	SCONJ
eurjchem-1962	61	31	the	the	DET
eurjchem-1962	61	32	dispersal	dispersal	NOUN
eurjchem-1962	61	33	is	be	AUX
eurjchem-1962	61	34	directly	directly	ADV
eurjchem-1962	61	35	affected	affect	VERB
eurjchem-1962	61	36	[	[	PUNCT
eurjchem-1962	61	37	5	5	NUM
eurjchem-1962	61	38	]	]	PUNCT
eurjchem-1962	61	39	.	.	PUNCT
eurjchem-1962	62	1	most	most	ADJ
eurjchem-1962	62	2	of	of	ADP
eurjchem-1962	62	3	the	the	DET
eurjchem-1962	62	4	existing	exist	VERB
eurjchem-1962	62	5	organic	organic	ADJ
eurjchem-1962	62	6	molecules	molecule	NOUN
eurjchem-1962	62	7	that	that	PRON
eurjchem-1962	62	8	are	be	AUX
eurjchem-1962	62	9	available	available	ADJ
eurjchem-1962	62	10	in	in	ADP
eurjchem-1962	62	11	the	the	DET
eurjchem-1962	62	12	library	library	NOUN
eurjchem-1962	62	13	and	and	CCONJ
eurjchem-1962	62	14	approved	approve	VERB
eurjchem-1962	62	15	by	by	ADP
eurjchem-1962	62	16	the	the	DET
eurjchem-1962	62	17	fda	fda	PROPN
eurjchem-1962	62	18	are	be	AUX
eurjchem-1962	62	19	having	have	VERB
eurjchem-1962	62	20	molecular	molecular	ADJ
eurjchem-1962	62	21	weight	weight	NOUN
eurjchem-1962	62	22	in	in	ADP
eurjchem-1962	62	23	the	the	DET
eurjchem-1962	62	24	range	range	NOUN
eurjchem-1962	62	25	of	of	ADP
eurjchem-1962	62	26	200	200	NUM
eurjchem-1962	62	27	and	and	CCONJ
eurjchem-1962	62	28	600	600	NUM
eurjchem-1962	62	29	daltons	dalton	NOUN
eurjchem-1962	62	30	.	.	PUNCT
eurjchem-1962	63	1	specifically	specifically	ADV
eurjchem-1962	63	2	,	,	PUNCT
eurjchem-1962	63	3	the	the	DET
eurjchem-1962	63	4	majority	majority	NOUN
eurjchem-1962	63	5	of	of	ADP
eurjchem-1962	63	6	drug	drug	NOUN
eurjchem-1962	63	7	molecules	molecule	NOUN
eurjchem-1962	63	8	belong	belong	VERB
eurjchem-1962	63	9	to	to	ADP
eurjchem-1962	63	10	<	<	X
eurjchem-1962	63	11	500	500	NUM
eurjchem-1962	63	12	daltons	dalton	NOUN
eurjchem-1962	63	13	group	group	NOUN
eurjchem-1962	63	14	[	[	X
eurjchem-1962	63	15	6	6	NUM
eurjchem-1962	63	16	]	]	PUNCT
eurjchem-1962	63	17	.	.	PUNCT
eurjchem-1962	64	1	3.2	3.2	NUM
eurjchem-1962	64	2	.	.	PUNCT
eurjchem-1962	65	1	hydrogen	hydrogen	NOUN
eurjchem-1962	65	2	bond	bond	NOUN
eurjchem-1962	65	3	the	the	DET
eurjchem-1962	65	4	hydrogen	hydrogen	NOUN
eurjchem-1962	65	5	bond	bond	NOUN
eurjchem-1962	65	6	is	be	AUX
eurjchem-1962	65	7	a	a	DET
eurjchem-1962	65	8	unique	unique	ADJ
eurjchem-1962	65	9	descriptor	descriptor	NOUN
eurjchem-1962	65	10	because	because	SCONJ
eurjchem-1962	65	11	hydrogen	hydrogen	NOUN
eurjchem-1962	65	12	is	be	AUX
eurjchem-1962	65	13	the	the	DET
eurjchem-1962	65	14	only	only	ADJ
eurjchem-1962	65	15	atom	atom	NOUN
eurjchem-1962	65	16	that	that	PRON
eurjchem-1962	65	17	can	can	AUX
eurjchem-1962	65	18	carry	carry	VERB
eurjchem-1962	65	19	a	a	DET
eurjchem-1962	65	20	positive	positive	ADJ
eurjchem-1962	65	21	charge	charge	NOUN
eurjchem-1962	65	22	at	at	ADP
eurjchem-1962	65	23	physiological	physiological	ADJ
eurjchem-1962	65	24	ph	ph	NOUN
eurjchem-1962	65	25	while	while	SCONJ
eurjchem-1962	65	26	remaining	remaining	AUX
eurjchem-1962	65	27	covalently	covalently	ADV
eurjchem-1962	65	28	bonded	bond	VERB
eurjchem-1962	65	29	in	in	ADP
eurjchem-1962	65	30	a	a	DET
eurjchem-1962	65	31	molecule	molecule	NOUN
eurjchem-1962	65	32	.	.	PUNCT
eurjchem-1962	66	1	both	both	DET
eurjchem-1962	66	2	intra	intra	ADJ
eurjchem-1962	66	3	-	-	ADJ
eurjchem-1962	66	4	molecular	molecular	ADJ
eurjchem-1962	66	5	and	and	CCONJ
eurjchem-1962	66	6	inter	inter	ADJ
eurjchem-1962	66	7	-	-	ADJ
eurjchem-1962	66	8	molecular	molecular	ADJ
eurjchem-1962	66	9	hydrogen	hydrogen	NOUN
eurjchem-1962	66	10	bonds	bond	NOUN
eurjchem-1962	66	11	play	play	VERB
eurjchem-1962	66	12	a	a	DET
eurjchem-1962	66	13	crucial	crucial	ADJ
eurjchem-1962	66	14	role	role	NOUN
eurjchem-1962	66	15	in	in	ADP
eurjchem-1962	66	16	the	the	DET
eurjchem-1962	66	17	drug	drug	NOUN
eurjchem-1962	66	18	-	-	PUNCT
eurjchem-1962	66	19	receptor	receptor	NOUN
eurjchem-1962	66	20	interaction	interaction	NOUN
eurjchem-1962	66	21	.	.	PUNCT
eurjchem-1962	67	1	intramolecular	intramolecular	ADJ
eurjchem-1962	67	2	bonding	bonding	NOUN
eurjchem-1962	67	3	is	be	AUX
eurjchem-1962	67	4	a	a	DET
eurjchem-1962	67	5	very	very	ADV
eurjchem-1962	67	6	essential	essential	ADJ
eurjchem-1962	67	7	property	property	NOUN
eurjchem-1962	67	8	of	of	ADP
eurjchem-1962	67	9	a	a	DET
eurjchem-1962	67	10	molecule	molecule	NOUN
eurjchem-1962	67	11	that	that	PRON
eurjchem-1962	67	12	may	may	AUX
eurjchem-1962	67	13	have	have	VERB
eurjchem-1962	67	14	a	a	DET
eurjchem-1962	67	15	significant	significant	ADJ
eurjchem-1962	67	16	effect	effect	NOUN
eurjchem-1962	67	17	on	on	ADP
eurjchem-1962	67	18	the	the	DET
eurjchem-1962	67	19	lead	lead	ADJ
eurjchem-1962	67	20	modification	modification	NOUN
eurjchem-1962	67	21	approach	approach	NOUN
eurjchem-1962	67	22	.	.	PUNCT
eurjchem-1962	68	1	in	in	ADP
eurjchem-1962	68	2	computational	computational	ADJ
eurjchem-1962	68	3	approaches	approach	NOUN
eurjchem-1962	68	4	(	(	PUNCT
eurjchem-1962	68	5	molecular	molecular	ADJ
eurjchem-1962	68	6	docking	docking	NOUN
eurjchem-1962	68	7	)	)	PUNCT
eurjchem-1962	68	8	,	,	PUNCT
eurjchem-1962	68	9	hydrogen	hydrogen	NOUN
eurjchem-1962	68	10	bonds	bond	NOUN
eurjchem-1962	68	11	are	be	AUX
eurjchem-1962	68	12	very	very	ADV
eurjchem-1962	68	13	much	much	ADV
eurjchem-1962	68	14	significant	significant	ADJ
eurjchem-1962	68	15	to	to	PART
eurjchem-1962	68	16	maintain	maintain	VERB
eurjchem-1962	68	17	the	the	DET
eurjchem-1962	68	18	structural	structural	ADJ
eurjchem-1962	68	19	components	component	NOUN
eurjchem-1962	68	20	such	such	ADJ
eurjchem-1962	68	21	as	as	ADP
eurjchem-1962	68	22	α	α	NOUN
eurjchem-1962	68	23	-	-	NOUN
eurjchem-1962	68	24	helix	helix	NOUN
eurjchem-1962	68	25	and	and	CCONJ
eurjchem-1962	68	26	the	the	DET
eurjchem-1962	68	27	β	β	ADJ
eurjchem-1962	68	28	-	-	ADJ
eurjchem-1962	68	29	sheet	sheet	NOUN
eurjchem-1962	68	30	conformations	conformation	NOUN
eurjchem-1962	68	31	of	of	ADP
eurjchem-1962	68	32	the	the	DET
eurjchem-1962	68	33	protein	protein	NOUN
eurjchem-1962	68	34	or	or	CCONJ
eurjchem-1962	68	35	receptor	receptor	NOUN
eurjchem-1962	68	36	.	.	PUNCT
eurjchem-1962	69	1	the	the	DET
eurjchem-1962	69	2	∆g	∆g	PROPN
eurjchem-1962	69	3	°	°	PROPN
eurjchem-1962	69	4	or	or	CCONJ
eurjchem-1962	69	5	free	free	ADJ
eurjchem-1962	69	6	energy	energy	NOUN
eurjchem-1962	69	7	for	for	ADP
eurjchem-1962	69	8	hydrogen	hydrogen	NOUN
eurjchem-1962	69	9	bonding	bonding	NOUN
eurjchem-1962	69	10	occurs	occur	VERB
eurjchem-1962	69	11	between	between	ADP
eurjchem-1962	69	12	-1	-1	PUNCT
eurjchem-1962	69	13	to	to	ADP
eurjchem-1962	69	14	-7	-7	ADJ
eurjchem-1962	69	15	kcal	kcal	PROPN
eurjchem-1962	69	16	/	/	SYM
eurjchem-1962	69	17	mol	mol	PROPN
eurjchem-1962	69	18	.	.	PUNCT
eurjchem-1962	70	1	the	the	DET
eurjchem-1962	70	2	binding	bind	VERB
eurjchem-1962	70	3	affinity	affinity	NOUN
eurjchem-1962	70	4	increases	increase	NOUN
eurjchem-1962	70	5	by	by	ADP
eurjchem-1962	70	6	order	order	NOUN
eurjchem-1962	70	7	of	of	ADP
eurjchem-1962	70	8	magnitude	magnitude	NOUN
eurjchem-1962	70	9	per	per	ADP
eurjchem-1962	70	10	hydrogen	hydrogen	NOUN
eurjchem-1962	70	11	bond	bond	NOUN
eurjchem-1962	70	12	[	[	X
eurjchem-1962	70	13	7	7	NUM
eurjchem-1962	70	14	]	]	PUNCT
eurjchem-1962	70	15	.	.	PUNCT
eurjchem-1962	71	1	proteins	protein	NOUN
eurjchem-1962	71	2	or	or	CCONJ
eurjchem-1962	71	3	receptors	receptor	NOUN
eurjchem-1962	71	4	that	that	PRON
eurjchem-1962	71	5	are	be	AUX
eurjchem-1962	71	6	composed	compose	VERB
eurjchem-1962	71	7	of	of	ADP
eurjchem-1962	71	8	various	various	ADJ
eurjchem-1962	71	9	groups	group	NOUN
eurjchem-1962	71	10	such	such	ADJ
eurjchem-1962	71	11	as	as	ADP
eurjchem-1962	71	12	nh	nh	PROPN
eurjchem-1962	71	13	and	and	CCONJ
eurjchem-1962	71	14	oh	oh	INTJ
eurjchem-1962	71	15	can	can	AUX
eurjchem-1962	71	16	donate	donate	VERB
eurjchem-1962	71	17	hydrogen	hydrogen	NOUN
eurjchem-1962	71	18	bond	bond	NOUN
eurjchem-1962	71	19	and	and	CCONJ
eurjchem-1962	71	20	co	co	NOUN
eurjchem-1962	71	21	and	and	CCONJ
eurjchem-1962	71	22	other	other	ADJ
eurjchem-1962	71	23	groups	group	NOUN
eurjchem-1962	71	24	can	can	AUX
eurjchem-1962	71	25	act	act	VERB
eurjchem-1962	71	26	as	as	ADP
eurjchem-1962	71	27	acceptors	acceptor	NOUN
eurjchem-1962	71	28	[	[	X
eurjchem-1962	71	29	8	8	NUM
eurjchem-1962	71	30	]	]	PUNCT
eurjchem-1962	71	31	.	.	PUNCT
eurjchem-1962	72	1	thus	thus	ADV
eurjchem-1962	72	2	,	,	PUNCT
eurjchem-1962	72	3	the	the	DET
eurjchem-1962	72	4	hydrogen	hydrogen	NOUN
eurjchem-1962	72	5	bonds	bond	NOUN
eurjchem-1962	72	6	have	have	VERB
eurjchem-1962	72	7	significant	significant	ADJ
eurjchem-1962	72	8	biochemical	biochemical	ADJ
eurjchem-1962	72	9	importance	importance	NOUN
eurjchem-1962	72	10	in	in	ADP
eurjchem-1962	72	11	drug	drug	NOUN
eurjchem-1962	72	12	likeliness	likeliness	NOUN
eurjchem-1962	72	13	of	of	ADP
eurjchem-1962	72	14	a	a	DET
eurjchem-1962	72	15	molecule	molecule	NOUN
eurjchem-1962	72	16	.	.	PUNCT
eurjchem-1962	73	1	an	an	DET
eurjchem-1962	73	2	example	example	NOUN
eurjchem-1962	73	3	for	for	ADP
eurjchem-1962	73	4	the	the	DET
eurjchem-1962	73	5	hydrogen	hydrogen	NOUN
eurjchem-1962	73	6	bond	bond	NOUN
eurjchem-1962	73	7	interaction	interaction	NOUN
eurjchem-1962	73	8	between	between	ADP
eurjchem-1962	73	9	the	the	DET
eurjchem-1962	73	10	ligand	ligand	NOUN
eurjchem-1962	73	11	and	and	CCONJ
eurjchem-1962	73	12	the	the	DET
eurjchem-1962	73	13	surface	surface	NOUN
eurjchem-1962	73	14	of	of	ADP
eurjchem-1962	73	15	a	a	DET
eurjchem-1962	73	16	receptor	receptor	NOUN
eurjchem-1962	73	17	is	be	AUX
eurjchem-1962	73	18	shown	show	VERB
eurjchem-1962	73	19	in	in	ADP
eurjchem-1962	73	20	figure	figure	NOUN
eurjchem-1962	73	21	2	2	NUM
eurjchem-1962	73	22	.	.	PUNCT
eurjchem-1962	74	1	https://academia.chemaxon.com/	https://academia.chemaxon.com/	PROPN
eurjchem-1962	74	2	https://chemdrawdirect.perkinelmer.cloud/%20rest/	https://chemdrawdirect.perkinelmer.cloud/%20rest/	NOUN
eurjchem-1962	74	3	https://chemdrawdirect.perkinelmer.cloud/%20rest/	https://chemdrawdirect.perkinelmer.cloud/%20rest/	NOUN
eurjchem-1962	74	4	170	170	NUM
eurjchem-1962	74	5	kumar	kumar	PROPN
eurjchem-1962	74	6	et	et	PROPN
eurjchem-1962	74	7	al	al	PROPN
eurjchem-1962	74	8	.	.	PUNCT
eurjchem-1962	74	9	/	/	SYM
eurjchem-1962	74	10	european	european	PROPN
eurjchem-1962	74	11	journal	journal	PROPN
eurjchem-1962	74	12	of	of	ADP
eurjchem-1962	74	13	chemistry	chemistry	NOUN
eurjchem-1962	74	14	11	11	NUM
eurjchem-1962	74	15	(	(	PUNCT
eurjchem-1962	74	16	2	2	NUM
eurjchem-1962	74	17	)	)	PUNCT
eurjchem-1962	74	18	(	(	PUNCT
eurjchem-1962	74	19	2020	2020	NUM
eurjchem-1962	74	20	)	)	PUNCT
eurjchem-1962	74	21	168	168	NUM
eurjchem-1962	74	22	-	-	SYM
eurjchem-1962	74	23	178	178	NUM
eurjchem-1962	74	24	2020	2020	NUM
eurjchem-1962	74	25	–	–	PUNCT
eurjchem-1962	74	26	european	european	ADJ
eurjchem-1962	74	27	journal	journal	NOUN
eurjchem-1962	74	28	of	of	ADP
eurjchem-1962	74	29	chemistry	chemistry	NOUN
eurjchem-1962	74	30	–	–	PUNCT
eurjchem-1962	74	31	cc	cc	NOUN
eurjchem-1962	74	32	by	by	ADP
eurjchem-1962	74	33	nc	nc	PROPN
eurjchem-1962	74	34	–	–	PUNCT
eurjchem-1962	74	35	doi	doi	NOUN
eurjchem-1962	74	36	:	:	PUNCT
eurjchem-1962	74	37	10.5155	10.5155	NUM
eurjchem-1962	74	38	/	/	SYM
eurjchem-1962	74	39	eurjchem.11.2.168	eurjchem.11.2.168	NOUN
eurjchem-1962	74	40	-	-	PUNCT
eurjchem-1962	74	41	178.1962	178.1962	NUM
eurjchem-1962	74	42	figure	figure	NOUN
eurjchem-1962	74	43	2	2	NUM
eurjchem-1962	74	44	.	.	NOUN
eurjchem-1962	74	45	example	example	NOUN
eurjchem-1962	74	46	of	of	ADP
eurjchem-1962	74	47	hydrogen	hydrogen	NOUN
eurjchem-1962	74	48	bonding	bonding	NOUN
eurjchem-1962	74	49	interaction	interaction	NOUN
eurjchem-1962	74	50	of	of	ADP
eurjchem-1962	74	51	aspirin	aspirin	NOUN
eurjchem-1962	74	52	with	with	ADP
eurjchem-1962	74	53	the	the	DET
eurjchem-1962	74	54	receptor	receptor	NOUN
eurjchem-1962	74	55	surface	surface	NOUN
eurjchem-1962	74	56	.	.	PUNCT
eurjchem-1962	75	1	the	the	DET
eurjchem-1962	75	2	wavy	wavy	ADJ
eurjchem-1962	75	3	line	line	NOUN
eurjchem-1962	75	4	represents	represent	VERB
eurjchem-1962	75	5	the	the	DET
eurjchem-1962	75	6	receptor	receptor	NOUN
eurjchem-1962	75	7	surface	surface	NOUN
eurjchem-1962	75	8	and	and	CCONJ
eurjchem-1962	75	9	the	the	DET
eurjchem-1962	75	10	dotted	dotted	ADJ
eurjchem-1962	75	11	line	line	NOUN
eurjchem-1962	75	12	indicates	indicate	VERB
eurjchem-1962	75	13	the	the	DET
eurjchem-1962	75	14	hydrogen	hydrogen	NOUN
eurjchem-1962	75	15	bond	bond	NOUN
eurjchem-1962	75	16	.	.	PUNCT
eurjchem-1962	76	1	3.3	3.3	NUM
eurjchem-1962	76	2	.	.	PUNCT
eurjchem-1962	77	1	polarity	polarity	NOUN
eurjchem-1962	77	2	polarity	polarity	NOUN
eurjchem-1962	77	3	is	be	AUX
eurjchem-1962	77	4	the	the	DET
eurjchem-1962	77	5	most	most	ADV
eurjchem-1962	77	6	important	important	ADJ
eurjchem-1962	77	7	parameter	parameter	NOUN
eurjchem-1962	77	8	to	to	PART
eurjchem-1962	77	9	determine	determine	VERB
eurjchem-1962	77	10	the	the	DET
eurjchem-1962	77	11	ability	ability	NOUN
eurjchem-1962	77	12	of	of	ADP
eurjchem-1962	77	13	a	a	DET
eurjchem-1962	77	14	small	small	ADJ
eurjchem-1962	77	15	molecule	molecule	NOUN
eurjchem-1962	77	16	to	to	PART
eurjchem-1962	77	17	be	be	AUX
eurjchem-1962	77	18	an	an	DET
eurjchem-1962	77	19	effective	effective	ADJ
eurjchem-1962	77	20	drug	drug	NOUN
eurjchem-1962	77	21	.	.	PUNCT
eurjchem-1962	78	1	the	the	DET
eurjchem-1962	78	2	extent	extent	NOUN
eurjchem-1962	78	3	of	of	ADP
eurjchem-1962	78	4	total	total	ADJ
eurjchem-1962	78	5	polar	polar	ADJ
eurjchem-1962	78	6	surface	surface	NOUN
eurjchem-1962	78	7	area	area	NOUN
eurjchem-1962	78	8	(	(	PUNCT
eurjchem-1962	78	9	tpsa	tpsa	PROPN
eurjchem-1962	78	10	)	)	PUNCT
eurjchem-1962	78	11	relies	rely	VERB
eurjchem-1962	78	12	on	on	ADP
eurjchem-1962	78	13	the	the	DET
eurjchem-1962	78	14	sum	sum	NOUN
eurjchem-1962	78	15	of	of	ADP
eurjchem-1962	78	16	hydrogen	hydrogen	NOUN
eurjchem-1962	78	17	donor	donor	NOUN
eurjchem-1962	78	18	and	and	CCONJ
eurjchem-1962	78	19	acceptor	acceptor	NOUN
eurjchem-1962	78	20	count	count	NOUN
eurjchem-1962	78	21	in	in	ADP
eurjchem-1962	78	22	the	the	DET
eurjchem-1962	78	23	structure	structure	NOUN
eurjchem-1962	78	24	of	of	ADP
eurjchem-1962	78	25	a	a	DET
eurjchem-1962	78	26	molecule	molecule	NOUN
eurjchem-1962	78	27	which	which	PRON
eurjchem-1962	78	28	is	be	AUX
eurjchem-1962	78	29	an	an	DET
eurjchem-1962	78	30	important	important	ADJ
eurjchem-1962	78	31	predictor	predictor	NOUN
eurjchem-1962	78	32	of	of	ADP
eurjchem-1962	78	33	good	good	ADJ
eurjchem-1962	78	34	oral	oral	ADJ
eurjchem-1962	78	35	bioavailability	bioavailability	NOUN
eurjchem-1962	78	36	.	.	PUNCT
eurjchem-1962	79	1	the	the	DET
eurjchem-1962	79	2	tpsa	tpsa	NOUN
eurjchem-1962	79	3	value	value	NOUN
eurjchem-1962	79	4	should	should	AUX
eurjchem-1962	79	5	be	be	AUX
eurjchem-1962	79	6	in	in	ADP
eurjchem-1962	79	7	the	the	DET
eurjchem-1962	79	8	range	range	NOUN
eurjchem-1962	79	9	of	of	ADP
eurjchem-1962	79	10	20	20	NUM
eurjchem-1962	79	11	to	to	PART
eurjchem-1962	79	12	130	130	NUM
eurjchem-1962	79	13	å	å	NOUN
eurjchem-1962	79	14	for	for	SCONJ
eurjchem-1962	79	15	a	a	DET
eurjchem-1962	79	16	molecule	molecule	NOUN
eurjchem-1962	79	17	to	to	PART
eurjchem-1962	79	18	be	be	AUX
eurjchem-1962	79	19	a	a	DET
eurjchem-1962	79	20	drug	drug	NOUN
eurjchem-1962	79	21	.	.	PUNCT
eurjchem-1962	80	1	the	the	DET
eurjchem-1962	80	2	tpsa	tpsa	NOUN
eurjchem-1962	80	3	is	be	AUX
eurjchem-1962	80	4	a	a	DET
eurjchem-1962	80	5	descriptor	descriptor	NOUN
eurjchem-1962	80	6	that	that	PRON
eurjchem-1962	80	7	is	be	AUX
eurjchem-1962	80	8	shown	show	VERB
eurjchem-1962	80	9	to	to	PART
eurjchem-1962	80	10	correlate	correlate	VERB
eurjchem-1962	80	11	well	well	ADV
eurjchem-1962	80	12	with	with	ADP
eurjchem-1962	80	13	passive	passive	ADJ
eurjchem-1962	80	14	molecular	molecular	ADJ
eurjchem-1962	80	15	transport	transport	NOUN
eurjchem-1962	80	16	through	through	ADP
eurjchem-1962	80	17	the	the	DET
eurjchem-1962	80	18	membrane	membrane	NOUN
eurjchem-1962	80	19	of	of	ADP
eurjchem-1962	80	20	receptors	receptor	NOUN
eurjchem-1962	80	21	.	.	PUNCT
eurjchem-1962	81	1	hence	hence	ADV
eurjchem-1962	81	2	,	,	PUNCT
eurjchem-1962	81	3	the	the	DET
eurjchem-1962	81	4	sum	sum	NOUN
eurjchem-1962	81	5	of	of	ADP
eurjchem-1962	81	6	polar	polar	ADJ
eurjchem-1962	81	7	atoms	atom	NOUN
eurjchem-1962	81	8	in	in	ADP
eurjchem-1962	81	9	a	a	DET
eurjchem-1962	81	10	molecule	molecule	NOUN
eurjchem-1962	81	11	allows	allow	VERB
eurjchem-1962	81	12	for	for	ADP
eurjchem-1962	81	13	the	the	DET
eurjchem-1962	81	14	prediction	prediction	NOUN
eurjchem-1962	81	15	of	of	ADP
eurjchem-1962	81	16	transport	transport	NOUN
eurjchem-1962	81	17	properties	property	NOUN
eurjchem-1962	81	18	of	of	ADP
eurjchem-1962	81	19	drugs	drug	NOUN
eurjchem-1962	81	20	[	[	X
eurjchem-1962	81	21	9	9	NUM
eurjchem-1962	81	22	]	]	PUNCT
eurjchem-1962	81	23	.	.	PUNCT
eurjchem-1962	82	1	3.4	3.4	NUM
eurjchem-1962	82	2	.	.	PUNCT
eurjchem-1962	82	3	structural	structural	ADJ
eurjchem-1962	82	4	modification	modification	NOUN
eurjchem-1962	82	5	of	of	ADP
eurjchem-1962	82	6	molecules	molecule	NOUN
eurjchem-1962	82	7	for	for	ADP
eurjchem-1962	82	8	better	well	ADJ
eurjchem-1962	82	9	oral	oral	ADJ
eurjchem-1962	82	10	bioavailability	bioavailability	NOUN
eurjchem-1962	82	11	about	about	ADP
eurjchem-1962	82	12	half	half	NOUN
eurjchem-1962	82	13	of	of	ADP
eurjchem-1962	82	14	the	the	DET
eurjchem-1962	82	15	drug	drug	NOUN
eurjchem-1962	82	16	candidates	candidate	NOUN
eurjchem-1962	82	17	do	do	AUX
eurjchem-1962	82	18	not	not	PART
eurjchem-1962	82	19	reach	reach	VERB
eurjchem-1962	82	20	the	the	DET
eurjchem-1962	82	21	clinical	clinical	ADJ
eurjchem-1962	82	22	trial	trial	NOUN
eurjchem-1962	82	23	phases	phase	NOUN
eurjchem-1962	82	24	due	due	ADJ
eurjchem-1962	82	25	to	to	ADP
eurjchem-1962	82	26	lack	lack	NOUN
eurjchem-1962	82	27	of	of	ADP
eurjchem-1962	82	28	exhibition	exhibition	NOUN
eurjchem-1962	82	29	of	of	ADP
eurjchem-1962	82	30	acceptable	acceptable	ADJ
eurjchem-1962	82	31	pharmacokinetic	pharmacokinetic	ADJ
eurjchem-1962	82	32	properties	property	NOUN
eurjchem-1962	82	33	in	in	ADP
eurjchem-1962	82	34	animal	animal	NOUN
eurjchem-1962	82	35	model	model	NOUN
eurjchem-1962	82	36	studies	study	NOUN
eurjchem-1962	82	37	[	[	X
eurjchem-1962	82	38	10	10	NUM
eurjchem-1962	82	39	]	]	PUNCT
eurjchem-1962	82	40	.	.	PUNCT
eurjchem-1962	83	1	thus	thus	ADV
eurjchem-1962	83	2	,	,	PUNCT
eurjchem-1962	83	3	a	a	DET
eurjchem-1962	83	4	major	major	ADJ
eurjchem-1962	83	5	challenge	challenge	NOUN
eurjchem-1962	83	6	in	in	ADP
eurjchem-1962	83	7	organic	organic	ADJ
eurjchem-1962	83	8	synthesis	synthesis	NOUN
eurjchem-1962	83	9	is	be	AUX
eurjchem-1962	83	10	the	the	DET
eurjchem-1962	83	11	structural	structural	ADJ
eurjchem-1962	83	12	modification	modification	NOUN
eurjchem-1962	83	13	of	of	ADP
eurjchem-1962	83	14	lead	lead	ADJ
eurjchem-1962	83	15	compounds	compound	NOUN
eurjchem-1962	83	16	.	.	PUNCT
eurjchem-1962	84	1	this	this	PRON
eurjchem-1962	84	2	should	should	AUX
eurjchem-1962	84	3	not	not	PART
eurjchem-1962	84	4	only	only	ADV
eurjchem-1962	84	5	modify	modify	VERB
eurjchem-1962	84	6	the	the	DET
eurjchem-1962	84	7	structure	structure	NOUN
eurjchem-1962	84	8	of	of	ADP
eurjchem-1962	84	9	starting	start	VERB
eurjchem-1962	84	10	material	material	NOUN
eurjchem-1962	84	11	but	but	CCONJ
eurjchem-1962	84	12	also	also	ADV
eurjchem-1962	84	13	increases	increase	VERB
eurjchem-1962	84	14	its	its	PRON
eurjchem-1962	84	15	biological	biological	ADJ
eurjchem-1962	84	16	activity	activity	NOUN
eurjchem-1962	84	17	[	[	X
eurjchem-1962	84	18	11	11	NUM
eurjchem-1962	84	19	]	]	PUNCT
eurjchem-1962	84	20	.	.	PUNCT
eurjchem-1962	85	1	during	during	ADP
eurjchem-1962	85	2	modeling	modeling	NOUN
eurjchem-1962	85	3	and	and	CCONJ
eurjchem-1962	85	4	visualization	visualization	NOUN
eurjchem-1962	85	5	of	of	ADP
eurjchem-1962	85	6	small	small	ADJ
eurjchem-1962	85	7	molecules	molecule	NOUN
eurjchem-1962	85	8	using	use	VERB
eurjchem-1962	85	9	online	online	ADJ
eurjchem-1962	85	10	tools	tool	NOUN
eurjchem-1962	85	11	such	such	ADJ
eurjchem-1962	85	12	as	as	ADP
eurjchem-1962	85	13	molinspiration	molinspiration	NOUN
eurjchem-1962	85	14	(	(	PUNCT
eurjchem-1962	85	15	https://www.molin	https://www.molin	PROPN
eurjchem-1962	85	16	spiration.com/	spiration.com/	NOUN
eurjchem-1962	85	17	)	)	PUNCT
eurjchem-1962	86	1	[	[	X
eurjchem-1962	86	2	12	12	NUM
eurjchem-1962	86	3	]	]	PUNCT
eurjchem-1962	86	4	,	,	PUNCT
eurjchem-1962	86	5	one	one	PRON
eurjchem-1962	86	6	can	can	AUX
eurjchem-1962	86	7	find	find	VERB
eurjchem-1962	86	8	the	the	DET
eurjchem-1962	86	9	pharmacokinetic	pharmacokinetic	ADJ
eurjchem-1962	86	10	violations	violation	NOUN
eurjchem-1962	86	11	which	which	PRON
eurjchem-1962	86	12	are	be	AUX
eurjchem-1962	86	13	needed	need	VERB
eurjchem-1962	86	14	to	to	PART
eurjchem-1962	86	15	be	be	AUX
eurjchem-1962	86	16	corrected	correct	VERB
eurjchem-1962	86	17	.	.	PUNCT
eurjchem-1962	87	1	in	in	ADP
eurjchem-1962	87	2	order	order	NOUN
eurjchem-1962	87	3	to	to	PART
eurjchem-1962	87	4	make	make	VERB
eurjchem-1962	87	5	a	a	DET
eurjchem-1962	87	6	potent	potent	ADJ
eurjchem-1962	87	7	molecule	molecule	NOUN
eurjchem-1962	87	8	,	,	PUNCT
eurjchem-1962	87	9	several	several	ADJ
eurjchem-1962	87	10	lead	lead	NOUN
eurjchem-1962	87	11	modification	modification	NOUN
eurjchem-1962	87	12	approaches	approach	NOUN
eurjchem-1962	87	13	are	be	AUX
eurjchem-1962	87	14	required	require	VERB
eurjchem-1962	87	15	such	such	ADJ
eurjchem-1962	87	16	as	as	ADP
eurjchem-1962	87	17	homologation	homologation	NOUN
eurjchem-1962	87	18	,	,	PUNCT
eurjchem-1962	87	19	chain	chain	NOUN
eurjchem-1962	87	20	branching	branching	NOUN
eurjchem-1962	87	21	,	,	PUNCT
eurjchem-1962	87	22	fingerprint	fingerprint	VERB
eurjchem-1962	87	23	analysis	analysis	NOUN
eurjchem-1962	87	24	of	of	ADP
eurjchem-1962	87	25	a	a	DET
eurjchem-1962	87	26	molecule	molecule	NOUN
eurjchem-1962	87	27	,	,	PUNCT
eurjchem-1962	87	28	ring	ring	NOUN
eurjchem-1962	87	29	-	-	PUNCT
eurjchem-1962	87	30	chain	chain	NOUN
eurjchem-1962	87	31	transformations	transformation	NOUN
eurjchem-1962	87	32	and	and	CCONJ
eurjchem-1962	87	33	bioisosterism	bioisosterism	NOUN
eurjchem-1962	87	34	to	to	PART
eurjchem-1962	87	35	increase	increase	VERB
eurjchem-1962	87	36	the	the	DET
eurjchem-1962	87	37	potency	potency	NOUN
eurjchem-1962	87	38	of	of	ADP
eurjchem-1962	87	39	a	a	DET
eurjchem-1962	87	40	molecule	molecule	NOUN
eurjchem-1962	87	41	.	.	PUNCT
eurjchem-1962	88	1	4	4	X
eurjchem-1962	88	2	.	.	X
eurjchem-1962	88	3	physicochemical	physicochemical	ADJ
eurjchem-1962	88	4	properties	property	NOUN
eurjchem-1962	88	5	4.1	4.1	NUM
eurjchem-1962	88	6	.	.	PUNCT
eurjchem-1962	89	1	solubility	solubility	NOUN
eurjchem-1962	89	2	and	and	CCONJ
eurjchem-1962	89	3	distribution	distribution	NOUN
eurjchem-1962	89	4	the	the	DET
eurjchem-1962	89	5	insolubility	insolubility	NOUN
eurjchem-1962	89	6	,	,	PUNCT
eurjchem-1962	89	7	poor	poor	ADJ
eurjchem-1962	89	8	solubility	solubility	NOUN
eurjchem-1962	89	9	and	and	CCONJ
eurjchem-1962	89	10	poor	poor	ADJ
eurjchem-1962	89	11	permeability	permeability	NOUN
eurjchem-1962	89	12	issues	issue	NOUN
eurjchem-1962	89	13	are	be	AUX
eurjchem-1962	89	14	the	the	DET
eurjchem-1962	89	15	main	main	ADJ
eurjchem-1962	89	16	reasons	reason	NOUN
eurjchem-1962	89	17	to	to	PART
eurjchem-1962	89	18	classify	classify	VERB
eurjchem-1962	89	19	them	they	PRON
eurjchem-1962	89	20	as	as	ADP
eurjchem-1962	89	21	inactive	inactive	ADJ
eurjchem-1962	89	22	drugs	drug	NOUN
eurjchem-1962	89	23	during	during	ADP
eurjchem-1962	89	24	the	the	DET
eurjchem-1962	89	25	development	development	NOUN
eurjchem-1962	89	26	and	and	CCONJ
eurjchem-1962	89	27	design	design	NOUN
eurjchem-1962	89	28	of	of	ADP
eurjchem-1962	89	29	a	a	DET
eurjchem-1962	89	30	particular	particular	ADJ
eurjchem-1962	89	31	drug	drug	NOUN
eurjchem-1962	89	32	candidate	candidate	NOUN
eurjchem-1962	89	33	[	[	X
eurjchem-1962	89	34	13	13	NUM
eurjchem-1962	89	35	]	]	PUNCT
eurjchem-1962	89	36	.	.	PUNCT
eurjchem-1962	90	1	it	it	PRON
eurjchem-1962	90	2	is	be	AUX
eurjchem-1962	90	3	therefore	therefore	ADV
eurjchem-1962	90	4	important	important	ADJ
eurjchem-1962	90	5	to	to	PART
eurjchem-1962	90	6	determine	determine	VERB
eurjchem-1962	90	7	these	these	DET
eurjchem-1962	90	8	pharmacokinetic	pharmacokinetic	ADJ
eurjchem-1962	90	9	and	and	CCONJ
eurjchem-1962	90	10	physicochemical	physicochemical	ADJ
eurjchem-1962	90	11	properties	property	NOUN
eurjchem-1962	90	12	associated	associate	VERB
eurjchem-1962	90	13	with	with	ADP
eurjchem-1962	90	14	a	a	DET
eurjchem-1962	90	15	drug	drug	NOUN
eurjchem-1962	90	16	molecule	molecule	NOUN
eurjchem-1962	90	17	and	and	CCONJ
eurjchem-1962	90	18	receptor	receptor	NOUN
eurjchem-1962	90	19	.	.	PUNCT
eurjchem-1962	91	1	poor	poor	ADJ
eurjchem-1962	91	2	or	or	CCONJ
eurjchem-1962	91	3	weak	weak	ADJ
eurjchem-1962	91	4	solubility	solubility	NOUN
eurjchem-1962	91	5	can	can	AUX
eurjchem-1962	91	6	often	often	ADV
eurjchem-1962	91	7	be	be	AUX
eurjchem-1962	91	8	a	a	DET
eurjchem-1962	91	9	more	more	ADV
eurjchem-1962	91	10	limiting	limit	VERB
eurjchem-1962	91	11	factor	factor	NOUN
eurjchem-1962	91	12	in	in	ADP
eurjchem-1962	91	13	drug	drug	NOUN
eurjchem-1962	91	14	development	development	NOUN
eurjchem-1962	91	15	.	.	PUNCT
eurjchem-1962	92	1	the	the	DET
eurjchem-1962	92	2	lipophilicity	lipophilicity	NOUN
eurjchem-1962	92	3	(	(	PUNCT
eurjchem-1962	92	4	log	log	VERB
eurjchem-1962	92	5	p	p	X
eurjchem-1962	92	6	)	)	PUNCT
eurjchem-1962	92	7	and	and	CCONJ
eurjchem-1962	92	8	lipinski	lipinski	PROPN
eurjchem-1962	92	9	’s	’s	PART
eurjchem-1962	92	10	analysis	analysis	NOUN
eurjchem-1962	92	11	of	of	ADP
eurjchem-1962	92	12	compounds	compound	NOUN
eurjchem-1962	92	13	are	be	AUX
eurjchem-1962	92	14	very	very	ADV
eurjchem-1962	92	15	critical	critical	ADJ
eurjchem-1962	92	16	for	for	SCONJ
eurjchem-1962	92	17	those	those	DET
eurjchem-1962	92	18	molecules	molecule	NOUN
eurjchem-1962	92	19	to	to	PART
eurjchem-1962	92	20	be	be	AUX
eurjchem-1962	92	21	destined	destine	VERB
eurjchem-1962	92	22	for	for	ADP
eurjchem-1962	92	23	drug	drug	NOUN
eurjchem-1962	92	24	development	development	NOUN
eurjchem-1962	92	25	or	or	CCONJ
eurjchem-1962	92	26	used	use	VERB
eurjchem-1962	92	27	as	as	ADP
eurjchem-1962	92	28	drugs	drug	NOUN
eurjchem-1962	92	29	[	[	X
eurjchem-1962	92	30	14	14	NUM
eurjchem-1962	92	31	]	]	PUNCT
eurjchem-1962	92	32	.	.	PUNCT
eurjchem-1962	93	1	having	have	VERB
eurjchem-1962	93	2	a	a	DET
eurjchem-1962	93	3	soluble	soluble	ADJ
eurjchem-1962	93	4	molecule	molecule	NOUN
eurjchem-1962	93	5	greatly	greatly	ADV
eurjchem-1962	93	6	facilitates	facilitate	VERB
eurjchem-1962	93	7	many	many	ADJ
eurjchem-1962	93	8	drug	drug	NOUN
eurjchem-1962	93	9	development	development	NOUN
eurjchem-1962	93	10	activities	activity	NOUN
eurjchem-1962	93	11	[	[	X
eurjchem-1962	93	12	15	15	NUM
eurjchem-1962	93	13	]	]	PUNCT
eurjchem-1962	93	14	.	.	PUNCT
eurjchem-1962	94	1	once	once	SCONJ
eurjchem-1962	94	2	the	the	DET
eurjchem-1962	94	3	drug	drug	NOUN
eurjchem-1962	94	4	molecule	molecule	NOUN
eurjchem-1962	94	5	gets	get	AUX
eurjchem-1962	94	6	absorbed	absorb	VERB
eurjchem-1962	94	7	in	in	ADP
eurjchem-1962	94	8	the	the	DET
eurjchem-1962	94	9	gastro	gastro	ADJ
eurjchem-1962	94	10	intestinal	intestinal	ADJ
eurjchem-1962	94	11	-	-	PUNCT
eurjchem-1962	94	12	tract	tract	NOUN
eurjchem-1962	94	13	(	(	PUNCT
eurjchem-1962	94	14	gi	gi	NOUN
eurjchem-1962	94	15	-	-	PUNCT
eurjchem-1962	94	16	tract	tract	NOUN
eurjchem-1962	94	17	)	)	PUNCT
eurjchem-1962	94	18	or	or	CCONJ
eurjchem-1962	94	19	through	through	ADP
eurjchem-1962	94	20	some	some	DET
eurjchem-1962	94	21	other	other	ADJ
eurjchem-1962	94	22	administration	administration	NOUN
eurjchem-1962	94	23	route	route	NOUN
eurjchem-1962	94	24	,	,	PUNCT
eurjchem-1962	94	25	it	it	PRON
eurjchem-1962	94	26	will	will	AUX
eurjchem-1962	94	27	pass	pass	VERB
eurjchem-1962	94	28	through	through	ADP
eurjchem-1962	94	29	the	the	DET
eurjchem-1962	94	30	capillaries	capillary	NOUN
eurjchem-1962	94	31	and	and	CCONJ
eurjchem-1962	94	32	dispersed	disperse	VERB
eurjchem-1962	94	33	into	into	ADP
eurjchem-1962	94	34	the	the	DET
eurjchem-1962	94	35	tissues	tissue	NOUN
eurjchem-1962	94	36	of	of	ADP
eurjchem-1962	94	37	the	the	DET
eurjchem-1962	94	38	body	body	NOUN
eurjchem-1962	94	39	[	[	X
eurjchem-1962	94	40	16	16	NUM
eurjchem-1962	94	41	]	]	PUNCT
eurjchem-1962	94	42	.	.	PUNCT
eurjchem-1962	95	1	the	the	DET
eurjchem-1962	95	2	amount	amount	NOUN
eurjchem-1962	95	3	of	of	ADP
eurjchem-1962	95	4	drug	drug	NOUN
eurjchem-1962	95	5	in	in	ADP
eurjchem-1962	95	6	the	the	DET
eurjchem-1962	95	7	body	body	NOUN
eurjchem-1962	95	8	is	be	AUX
eurjchem-1962	95	9	described	describe	VERB
eurjchem-1962	95	10	by	by	ADP
eurjchem-1962	95	11	the	the	DET
eurjchem-1962	95	12	term	term	NOUN
eurjchem-1962	95	13	“	"	PUNCT
eurjchem-1962	95	14	volume	volume	NOUN
eurjchem-1962	95	15	of	of	ADP
eurjchem-1962	95	16	the	the	DET
eurjchem-1962	95	17	drug	drug	NOUN
eurjchem-1962	95	18	distributed	distribute	VERB
eurjchem-1962	95	19	”	"	PUNCT
eurjchem-1962	95	20	which	which	PRON
eurjchem-1962	95	21	denotes	denote	VERB
eurjchem-1962	95	22	the	the	DET
eurjchem-1962	95	23	sum	sum	NOUN
eurjchem-1962	95	24	of	of	ADP
eurjchem-1962	95	25	the	the	DET
eurjchem-1962	95	26	drug	drug	NOUN
eurjchem-1962	95	27	in	in	ADP
eurjchem-1962	95	28	the	the	DET
eurjchem-1962	95	29	body	body	NOUN
eurjchem-1962	95	30	(	(	PUNCT
eurjchem-1962	95	31	mg	mg	ADJ
eurjchem-1962	95	32	)	)	PUNCT
eurjchem-1962	95	33	divided	divide	VERB
eurjchem-1962	95	34	by	by	ADP
eurjchem-1962	95	35	the	the	DET
eurjchem-1962	95	36	concentration	concentration	NOUN
eurjchem-1962	95	37	of	of	ADP
eurjchem-1962	95	38	the	the	DET
eurjchem-1962	95	39	drug	drug	NOUN
eurjchem-1962	95	40	in	in	ADP
eurjchem-1962	95	41	plasma	plasma	NOUN
eurjchem-1962	95	42	(	(	PUNCT
eurjchem-1962	95	43	mg	mg	PROPN
eurjchem-1962	95	44	/	/	SYM
eurjchem-1962	95	45	l	l	NOUN
eurjchem-1962	95	46	)	)	PUNCT
eurjchem-1962	95	47	.	.	PUNCT
eurjchem-1962	96	1	the	the	DET
eurjchem-1962	96	2	drug	drug	NOUN
eurjchem-1962	96	3	distribution	distribution	NOUN
eurjchem-1962	96	4	largely	largely	ADV
eurjchem-1962	96	5	relies	rely	VERB
eurjchem-1962	96	6	on	on	ADP
eurjchem-1962	96	7	the	the	DET
eurjchem-1962	96	8	size	size	NOUN
eurjchem-1962	96	9	of	of	ADP
eurjchem-1962	96	10	the	the	DET
eurjchem-1962	96	11	molecule	molecule	NOUN
eurjchem-1962	96	12	,	,	PUNCT
eurjchem-1962	96	13	log	log	VERB
eurjchem-1962	96	14	p	p	NOUN
eurjchem-1962	96	15	,	,	PUNCT
eurjchem-1962	96	16	h	h	NOUN
eurjchem-1962	96	17	bonding	bonding	NOUN
eurjchem-1962	96	18	,	,	PUNCT
eurjchem-1962	96	19	polarity	polarity	NOUN
eurjchem-1962	96	20	etc	etc	X
eurjchem-1962	96	21	.	.	X
eurjchem-1962	97	1	in	in	ADP
eurjchem-1962	97	2	this	this	DET
eurjchem-1962	97	3	context	context	NOUN
eurjchem-1962	97	4	,	,	PUNCT
eurjchem-1962	97	5	the	the	DET
eurjchem-1962	97	6	drug	drug	NOUN
eurjchem-1962	97	7	molecules	molecule	NOUN
eurjchem-1962	97	8	designed	design	VERB
eurjchem-1962	97	9	to	to	PART
eurjchem-1962	97	10	be	be	AUX
eurjchem-1962	97	11	effective	effective	ADJ
eurjchem-1962	97	12	on	on	ADP
eurjchem-1962	97	13	tissues	tissue	NOUN
eurjchem-1962	97	14	and	and	CCONJ
eurjchem-1962	97	15	organs	organ	NOUN
eurjchem-1962	97	16	should	should	AUX
eurjchem-1962	97	17	not	not	PART
eurjchem-1962	97	18	be	be	AUX
eurjchem-1962	97	19	able	able	ADJ
eurjchem-1962	97	20	to	to	PART
eurjchem-1962	97	21	cross	cross	VERB
eurjchem-1962	97	22	the	the	DET
eurjchem-1962	97	23	blood	blood	NOUN
eurjchem-1962	97	24	-	-	PUNCT
eurjchem-1962	97	25	brain	brain	NOUN
eurjchem-1962	97	26	barrier	barrier	NOUN
eurjchem-1962	97	27	(	(	PUNCT
eurjchem-1962	97	28	bbb	bbb	NOUN
eurjchem-1962	97	29	)	)	PUNCT
eurjchem-1962	97	30	to	to	PART
eurjchem-1962	97	31	avoid	avoid	VERB
eurjchem-1962	97	32	adverse	adverse	ADJ
eurjchem-1962	97	33	effects	effect	NOUN
eurjchem-1962	97	34	on	on	ADP
eurjchem-1962	97	35	the	the	DET
eurjchem-1962	97	36	cns	cns	NOUN
eurjchem-1962	98	1	[	[	X
eurjchem-1962	98	2	17	17	NUM
eurjchem-1962	98	3	]	]	SYM
eurjchem-1962	98	4	.	.	PUNCT
eurjchem-1962	99	1	4.2	4.2	NUM
eurjchem-1962	99	2	.	.	PUNCT
eurjchem-1962	99	3	permeability	permeability	NOUN
eurjchem-1962	99	4	and	and	CCONJ
eurjchem-1962	99	5	lipophilicity	lipophilicity	NOUN
eurjchem-1962	99	6	the	the	DET
eurjchem-1962	99	7	permeability	permeability	NOUN
eurjchem-1962	99	8	is	be	AUX
eurjchem-1962	99	9	the	the	DET
eurjchem-1962	99	10	ability	ability	NOUN
eurjchem-1962	99	11	of	of	ADP
eurjchem-1962	99	12	a	a	DET
eurjchem-1962	99	13	drug	drug	NOUN
eurjchem-1962	99	14	molecule	molecule	NOUN
eurjchem-1962	99	15	to	to	PART
eurjchem-1962	99	16	diffuse	diffuse	VERB
eurjchem-1962	99	17	passively	passively	ADV
eurjchem-1962	99	18	across	across	ADP
eurjchem-1962	99	19	the	the	DET
eurjchem-1962	99	20	cell	cell	NOUN
eurjchem-1962	99	21	membrane	membrane	NOUN
eurjchem-1962	99	22	,	,	PUNCT
eurjchem-1962	99	23	enter	enter	VERB
eurjchem-1962	99	24	the	the	DET
eurjchem-1962	99	25	phospholipid	phospholipid	NOUN
eurjchem-1962	99	26	bilayer	bilayer	NOUN
eurjchem-1962	99	27	and	and	CCONJ
eurjchem-1962	99	28	from	from	ADP
eurjchem-1962	99	29	the	the	DET
eurjchem-1962	99	30	cells	cell	NOUN
eurjchem-1962	99	31	apical	apical	ADJ
eurjchem-1962	99	32	side	side	NOUN
eurjchem-1962	99	33	to	to	ADP
eurjchem-1962	99	34	the	the	DET
eurjchem-1962	99	35	basal	basal	ADJ
eurjchem-1962	99	36	lateral	lateral	ADJ
eurjchem-1962	99	37	side	side	NOUN
eurjchem-1962	99	38	through	through	ADP
eurjchem-1962	99	39	a	a	DET
eurjchem-1962	99	40	cytoplasmic	cytoplasmic	ADJ
eurjchem-1962	99	41	aqueous	aqueous	ADJ
eurjchem-1962	99	42	phase	phase	NOUN
eurjchem-1962	99	43	or	or	CCONJ
eurjchem-1962	99	44	along	along	ADP
eurjchem-1962	99	45	the	the	DET
eurjchem-1962	99	46	lipid	lipid	NOUN
eurjchem-1962	99	47	membranes	membrane	NOUN
eurjchem-1962	99	48	of	of	ADP
eurjchem-1962	99	49	the	the	DET
eurjchem-1962	99	50	cell	cell	NOUN
eurjchem-1962	99	51	[	[	X
eurjchem-1962	99	52	18	18	NUM
eurjchem-1962	99	53	]	]	PUNCT
eurjchem-1962	99	54	.	.	PUNCT
eurjchem-1962	100	1	the	the	DET
eurjchem-1962	100	2	permeability	permeability	NOUN
eurjchem-1962	100	3	of	of	ADP
eurjchem-1962	100	4	a	a	DET
eurjchem-1962	100	5	drug	drug	NOUN
eurjchem-1962	100	6	molecule	molecule	NOUN
eurjchem-1962	100	7	across	across	ADP
eurjchem-1962	100	8	biological	biological	ADJ
eurjchem-1962	100	9	membranes	membrane	NOUN
eurjchem-1962	100	10	depends	depend	VERB
eurjchem-1962	100	11	upon	upon	SCONJ
eurjchem-1962	100	12	the	the	DET
eurjchem-1962	100	13	diffusion	diffusion	NOUN
eurjchem-1962	100	14	coefficient	coefficient	NOUN
eurjchem-1962	100	15	and	and	CCONJ
eurjchem-1962	100	16	lipophilicity	lipophilicity	NOUN
eurjchem-1962	100	17	property	property	NOUN
eurjchem-1962	100	18	.	.	PUNCT
eurjchem-1962	101	1	if	if	SCONJ
eurjchem-1962	101	2	a	a	DET
eurjchem-1962	101	3	drug	drug	NOUN
eurjchem-1962	101	4	molecule	molecule	NOUN
eurjchem-1962	101	5	has	have	VERB
eurjchem-1962	101	6	poor	poor	ADJ
eurjchem-1962	101	7	water	water	NOUN
eurjchem-1962	101	8	solubility	solubility	NOUN
eurjchem-1962	101	9	(	(	PUNCT
eurjchem-1962	101	10	high	high	ADJ
eurjchem-1962	101	11	lipophilicity	lipophilicity	NOUN
eurjchem-1962	101	12	)	)	PUNCT
eurjchem-1962	101	13	that	that	PRON
eurjchem-1962	101	14	can	can	AUX
eurjchem-1962	101	15	lead	lead	VERB
eurjchem-1962	101	16	to	to	ADP
eurjchem-1962	101	17	a	a	DET
eurjchem-1962	101	18	limiting	limit	VERB
eurjchem-1962	101	19	factor	factor	NOUN
eurjchem-1962	101	20	in	in	ADP
eurjchem-1962	101	21	oral	oral	ADJ
eurjchem-1962	101	22	bioavailability	bioavailability	NOUN
eurjchem-1962	101	23	,	,	PUNCT
eurjchem-1962	101	24	and	and	CCONJ
eurjchem-1962	101	25	highly	highly	ADV
eurjchem-1962	101	26	lipophilic	lipophilic	ADJ
eurjchem-1962	101	27	compounds	compound	NOUN
eurjchem-1962	101	28	are	be	AUX
eurjchem-1962	101	29	metabolized	metabolize	VERB
eurjchem-1962	101	30	easily	easily	ADV
eurjchem-1962	101	31	or	or	CCONJ
eurjchem-1962	101	32	it	it	PRON
eurjchem-1962	101	33	can	can	AUX
eurjchem-1962	101	34	bind	bind	VERB
eurjchem-1962	101	35	to	to	ADP
eurjchem-1962	101	36	plasma	plasma	NOUN
eurjchem-1962	101	37	proteins	protein	NOUN
eurjchem-1962	101	38	[	[	X
eurjchem-1962	101	39	7	7	NUM
eurjchem-1962	101	40	]	]	PUNCT
eurjchem-1962	101	41	.	.	PUNCT
eurjchem-1962	102	1	however	however	ADV
eurjchem-1962	102	2	,	,	PUNCT
eurjchem-1962	102	3	low	low	ADJ
eurjchem-1962	102	4	lipophilicity	lipophilicity	NOUN
eurjchem-1962	102	5	is	be	AUX
eurjchem-1962	102	6	more	more	ADV
eurjchem-1962	102	7	typically	typically	ADV
eurjchem-1962	102	8	problematic	problematic	ADJ
eurjchem-1962	102	9	because	because	SCONJ
eurjchem-1962	102	10	that	that	PRON
eurjchem-1962	102	11	leads	lead	VERB
eurjchem-1962	102	12	to	to	ADP
eurjchem-1962	102	13	poor	poor	ADJ
eurjchem-1962	102	14	permeability	permeability	NOUN
eurjchem-1962	102	15	across	across	ADP
eurjchem-1962	102	16	the	the	DET
eurjchem-1962	102	17	membrane	membrane	NOUN
eurjchem-1962	102	18	and	and	CCONJ
eurjchem-1962	102	19	thus	thus	ADV
eurjchem-1962	102	20	increased	increase	VERB
eurjchem-1962	102	21	lipophilicity	lipophilicity	NOUN
eurjchem-1962	102	22	leads	lead	VERB
eurjchem-1962	102	23	to	to	ADP
eurjchem-1962	102	24	improved	improve	VERB
eurjchem-1962	102	25	physicochemical	physicochemical	ADJ
eurjchem-1962	102	26	properties	property	NOUN
eurjchem-1962	102	27	.	.	PUNCT
eurjchem-1962	103	1	the	the	DET
eurjchem-1962	103	2	log	log	NOUN
eurjchem-1962	103	3	p	p	NOUN
eurjchem-1962	103	4	values	value	NOUN
eurjchem-1962	103	5	,	,	PUNCT
eurjchem-1962	103	6	as	as	SCONJ
eurjchem-1962	103	7	shown	show	VERB
eurjchem-1962	103	8	in	in	ADP
eurjchem-1962	103	9	figure	figure	NOUN
eurjchem-1962	103	10	3	3	NUM
eurjchem-1962	103	11	,	,	PUNCT
eurjchem-1962	103	12	denote	denote	VERB
eurjchem-1962	103	13	the	the	DET
eurjchem-1962	103	14	in	in	ADP
eurjchem-1962	103	15	vivo	vivo	ADJ
eurjchem-1962	103	16	lipophilicity	lipophilicity	NOUN
eurjchem-1962	103	17	which	which	PRON
eurjchem-1962	103	18	is	be	AUX
eurjchem-1962	103	19	derived	derive	VERB
eurjchem-1962	103	20	from	from	ADP
eurjchem-1962	103	21	the	the	DET
eurjchem-1962	103	22	1	1	NUM
eurjchem-1962	103	23	-	-	PUNCT
eurjchem-1962	103	24	octanol	octanol	NOUN
eurjchem-1962	103	25	/	/	SYM
eurjchem-1962	103	26	water	water	NOUN
eurjchem-1962	103	27	partition	partition	NOUN
eurjchem-1962	103	28	model	model	NOUN
eurjchem-1962	103	29	[	[	X
eurjchem-1962	103	30	19	19	NUM
eurjchem-1962	103	31	]	]	PUNCT
eurjchem-1962	103	32	.	.	PUNCT
eurjchem-1962	104	1	if	if	SCONJ
eurjchem-1962	104	2	the	the	DET
eurjchem-1962	104	3	log	log	NOUN
eurjchem-1962	104	4	p	p	NOUN
eurjchem-1962	104	5	value	value	NOUN
eurjchem-1962	104	6	is	be	AUX
eurjchem-1962	104	7	greater	great	ADJ
eurjchem-1962	104	8	than	than	ADP
eurjchem-1962	104	9	5.5	5.5	NUM
eurjchem-1962	104	10	,	,	PUNCT
eurjchem-1962	104	11	then	then	ADV
eurjchem-1962	104	12	the	the	DET
eurjchem-1962	104	13	molecule	molecule	NOUN
eurjchem-1962	104	14	will	will	AUX
eurjchem-1962	104	15	be	be	AUX
eurjchem-1962	104	16	highly	highly	ADV
eurjchem-1962	104	17	lipophilic	lipophilic	ADJ
eurjchem-1962	104	18	and	and	CCONJ
eurjchem-1962	104	19	therefore	therefore	ADV
eurjchem-1962	104	20	it	it	PRON
eurjchem-1962	104	21	is	be	AUX
eurjchem-1962	104	22	very	very	ADV
eurjchem-1962	104	23	important	important	ADJ
eurjchem-1962	104	24	to	to	PART
eurjchem-1962	104	25	be	be	AUX
eurjchem-1962	104	26	aware	aware	ADJ
eurjchem-1962	104	27	of	of	ADP
eurjchem-1962	104	28	choosing	choose	VERB
eurjchem-1962	104	29	the	the	DET
eurjchem-1962	104	30	solvent	solvent	NOUN
eurjchem-1962	104	31	to	to	PART
eurjchem-1962	104	32	obtain	obtain	VERB
eurjchem-1962	104	33	the	the	DET
eurjchem-1962	104	34	log	log	NOUN
eurjchem-1962	104	35	p	p	PROPN
eurjchem-1962	104	36	data	data	NOUN
eurjchem-1962	104	37	.	.	PUNCT
eurjchem-1962	105	1	4.3	4.3	NUM
eurjchem-1962	105	2	.	.	PUNCT
eurjchem-1962	106	1	stability	stability	VERB
eurjchem-1962	106	2	the	the	DET
eurjchem-1962	106	3	storage	storage	NOUN
eurjchem-1962	106	4	as	as	ADV
eurjchem-1962	106	5	well	well	ADV
eurjchem-1962	106	6	as	as	ADP
eurjchem-1962	106	7	in	in	ADP
eurjchem-1962	106	8	vivo	vivo	ADJ
eurjchem-1962	106	9	stability	stability	NOUN
eurjchem-1962	106	10	of	of	ADP
eurjchem-1962	106	11	a	a	DET
eurjchem-1962	106	12	drug	drug	NOUN
eurjchem-1962	106	13	molecule	molecule	NOUN
eurjchem-1962	106	14	is	be	AUX
eurjchem-1962	106	15	an	an	DET
eurjchem-1962	106	16	important	important	ADJ
eurjchem-1962	106	17	criterion	criterion	NOUN
eurjchem-1962	106	18	to	to	PART
eurjchem-1962	106	19	be	be	AUX
eurjchem-1962	106	20	fulfilled	fulfil	VERB
eurjchem-1962	106	21	by	by	ADP
eurjchem-1962	106	22	the	the	DET
eurjchem-1962	106	23	successful	successful	ADJ
eurjchem-1962	106	24	lead	lead	NOUN
eurjchem-1962	106	25	molecule	molecule	NOUN
eurjchem-1962	106	26	.	.	PUNCT
eurjchem-1962	107	1	if	if	SCONJ
eurjchem-1962	107	2	a	a	DET
eurjchem-1962	107	3	molecule	molecule	NOUN
eurjchem-1962	107	4	is	be	AUX
eurjchem-1962	107	5	photosensitive	photosensitive	ADJ
eurjchem-1962	107	6	or	or	CCONJ
eurjchem-1962	107	7	air	air	NOUN
eurjchem-1962	107	8	-	-	PUNCT
eurjchem-1962	107	9	sensitive	sensitive	ADJ
eurjchem-1962	107	10	,	,	PUNCT
eurjchem-1962	107	11	any	any	DET
eurjchem-1962	107	12	exposure	exposure	NOUN
eurjchem-1962	107	13	can	can	AUX
eurjchem-1962	107	14	lead	lead	VERB
eurjchem-1962	107	15	to	to	ADP
eurjchem-1962	107	16	decomposition	decomposition	NOUN
eurjchem-1962	107	17	or	or	CCONJ
eurjchem-1962	107	18	alteration	alteration	NOUN
eurjchem-1962	107	19	of	of	ADP
eurjchem-1962	107	20	the	the	DET
eurjchem-1962	107	21	functional	functional	ADJ
eurjchem-1962	107	22	groups	group	NOUN
eurjchem-1962	107	23	of	of	ADP
eurjchem-1962	107	24	the	the	DET
eurjchem-1962	107	25	molecule	molecule	NOUN
eurjchem-1962	107	26	.	.	PUNCT
eurjchem-1962	108	1	any	any	DET
eurjchem-1962	108	2	potential	potential	ADJ
eurjchem-1962	108	3	drug	drug	NOUN
eurjchem-1962	108	4	molecule	molecule	NOUN
eurjchem-1962	108	5	having	have	VERB
eurjchem-1962	108	6	weak	weak	ADJ
eurjchem-1962	108	7	alkaline	alkaline	NOUN
eurjchem-1962	108	8	ph	ph	NOUN
eurjchem-1962	108	9	value	value	NOUN
eurjchem-1962	108	10	of	of	ADP
eurjchem-1962	108	11	stability	stability	NOUN
eurjchem-1962	108	12	that	that	PRON
eurjchem-1962	108	13	ranges	range	VERB
eurjchem-1962	108	14	between	between	ADP
eurjchem-1962	108	15	7.20	7.20	NUM
eurjchem-1962	108	16	and	and	CCONJ
eurjchem-1962	108	17	7.80	7.80	NUM
eurjchem-1962	108	18	can	can	AUX
eurjchem-1962	108	19	countervail	countervail	VERB
eurjchem-1962	108	20	the	the	DET
eurjchem-1962	108	21	acid	acid	NOUN
eurjchem-1962	108	22	toxins	toxin	NOUN
eurjchem-1962	108	23	in	in	ADP
eurjchem-1962	108	24	vivo	vivo	NOUN
eurjchem-1962	108	25	.	.	PUNCT
eurjchem-1962	109	1	this	this	DET
eurjchem-1962	109	2	type	type	NOUN
eurjchem-1962	109	3	of	of	ADP
eurjchem-1962	109	4	property	property	NOUN
eurjchem-1962	109	5	of	of	ADP
eurjchem-1962	109	6	a	a	DET
eurjchem-1962	109	7	molecule	molecule	NOUN
eurjchem-1962	109	8	helps	help	VERB
eurjchem-1962	109	9	to	to	PART
eurjchem-1962	109	10	remove	remove	VERB
eurjchem-1962	109	11	the	the	DET
eurjchem-1962	109	12	toxicants	toxicant	NOUN
eurjchem-1962	109	13	from	from	ADP
eurjchem-1962	109	14	the	the	DET
eurjchem-1962	109	15	body	body	NOUN
eurjchem-1962	109	16	to	to	PART
eurjchem-1962	109	17	keep	keep	VERB
eurjchem-1962	109	18	the	the	DET
eurjchem-1962	109	19	body	body	NOUN
eurjchem-1962	109	20	fluid	fluid	NOUN
eurjchem-1962	109	21	augment	augment	NOUN
eurjchem-1962	109	22	digestion	digestion	NOUN
eurjchem-1962	109	23	and	and	CCONJ
eurjchem-1962	109	24	nutrient	nutrient	ADJ
eurjchem-1962	109	25	absorption	absorption	NOUN
eurjchem-1962	109	26	[	[	X
eurjchem-1962	109	27	20	20	NUM
eurjchem-1962	109	28	]	]	PUNCT
eurjchem-1962	109	29	.	.	PUNCT
eurjchem-1962	110	1	the	the	DET
eurjchem-1962	110	2	highly	highly	ADV
eurjchem-1962	110	3	stable	stable	ADJ
eurjchem-1962	110	4	small	small	ADJ
eurjchem-1962	110	5	molecule	molecule	NOUN
eurjchem-1962	110	6	is	be	AUX
eurjchem-1962	110	7	useful	useful	ADJ
eurjchem-1962	110	8	for	for	ADP
eurjchem-1962	110	9	the	the	DET
eurjchem-1962	110	10	medicinal	medicinal	ADJ
eurjchem-1962	110	11	chemists	chemist	NOUN
eurjchem-1962	110	12	as	as	ADP
eurjchem-1962	110	13	their	their	PRON
eurjchem-1962	110	14	toolbox	toolbox	NOUN
eurjchem-1962	110	15	for	for	ADP
eurjchem-1962	110	16	drug	drug	NOUN
eurjchem-1962	110	17	discovery	discovery	NOUN
eurjchem-1962	110	18	.	.	PUNCT
eurjchem-1962	111	1	due	due	ADP
eurjchem-1962	111	2	to	to	ADP
eurjchem-1962	111	3	lack	lack	NOUN
eurjchem-1962	111	4	of	of	ADP
eurjchem-1962	111	5	stability	stability	NOUN
eurjchem-1962	111	6	of	of	ADP
eurjchem-1962	111	7	a	a	DET
eurjchem-1962	111	8	drug	drug	NOUN
eurjchem-1962	111	9	molecule	molecule	NOUN
eurjchem-1962	111	10	,	,	PUNCT
eurjchem-1962	111	11	its	its	PRON
eurjchem-1962	111	12	biological	biological	ADJ
eurjchem-1962	111	13	potential	potential	NOUN
eurjchem-1962	111	14	can	can	AUX
eurjchem-1962	111	15	be	be	AUX
eurjchem-1962	111	16	disrupted	disrupt	VERB
eurjchem-1962	111	17	.	.	PUNCT
eurjchem-1962	112	1	a	a	DET
eurjchem-1962	112	2	specific	specific	ADJ
eurjchem-1962	112	3	reaction	reaction	NOUN
eurjchem-1962	112	4	of	of	ADP
eurjchem-1962	112	5	a	a	DET
eurjchem-1962	112	6	drug	drug	NOUN
eurjchem-1962	112	7	molecule	molecule	NOUN
eurjchem-1962	112	8	could	could	AUX
eurjchem-1962	112	9	lead	lead	VERB
eurjchem-1962	112	10	to	to	ADP
eurjchem-1962	112	11	putrefaction	putrefaction	NOUN
eurjchem-1962	112	12	which	which	PRON
eurjchem-1962	112	13	includes	include	VERB
eurjchem-1962	112	14	oxidation	oxidation	NOUN
eurjchem-1962	112	15	and	and	CCONJ
eurjchem-1962	112	16	hydrolysis	hydrolysis	NOUN
eurjchem-1962	112	17	.	.	PUNCT
eurjchem-1962	113	1	all	all	DET
eurjchem-1962	113	2	the	the	DET
eurjchem-1962	113	3	potential	potential	ADJ
eurjchem-1962	113	4	stability	stability	NOUN
eurjchem-1962	113	5	issues	issue	NOUN
eurjchem-1962	113	6	of	of	ADP
eurjchem-1962	113	7	a	a	DET
eurjchem-1962	113	8	drug	drug	NOUN
eurjchem-1962	113	9	candidate	candidate	NOUN
eurjchem-1962	113	10	can	can	AUX
eurjchem-1962	113	11	be	be	AUX
eurjchem-1962	113	12	screened	screen	VERB
eurjchem-1962	113	13	in	in	ADP
eurjchem-1962	113	14	silico	silico	NOUN
eurjchem-1962	113	15	and	and	CCONJ
eurjchem-1962	113	16	could	could	AUX
eurjchem-1962	113	17	be	be	AUX
eurjchem-1962	113	18	solved	solve	VERB
eurjchem-1962	113	19	[	[	X
eurjchem-1962	113	20	21	21	NUM
eurjchem-1962	113	21	]	]	PUNCT
eurjchem-1962	113	22	.	.	PUNCT
eurjchem-1962	114	1	4.4	4.4	NUM
eurjchem-1962	114	2	.	.	PUNCT
eurjchem-1962	115	1	pka	pka	VERB
eurjchem-1962	115	2	the	the	DET
eurjchem-1962	115	3	acid	acid	NOUN
eurjchem-1962	115	4	-	-	PUNCT
eurjchem-1962	115	5	base	base	NOUN
eurjchem-1962	115	6	dissociation	dissociation	NOUN
eurjchem-1962	115	7	constant	constant	ADJ
eurjchem-1962	115	8	(	(	PUNCT
eurjchem-1962	115	9	pka	pka	NOUN
eurjchem-1962	115	10	)	)	PUNCT
eurjchem-1962	115	11	of	of	ADP
eurjchem-1962	115	12	a	a	DET
eurjchem-1962	115	13	drug	drug	NOUN
eurjchem-1962	115	14	candidate	candidate	NOUN
eurjchem-1962	115	15	is	be	AUX
eurjchem-1962	115	16	an	an	DET
eurjchem-1962	115	17	important	important	ADJ
eurjchem-1962	115	18	parameter	parameter	NOUN
eurjchem-1962	115	19	that	that	PRON
eurjchem-1962	115	20	influences	influence	VERB
eurjchem-1962	115	21	many	many	ADJ
eurjchem-1962	115	22	biopharmaceutical	biopharmaceutical	ADJ
eurjchem-1962	115	23	properties	property	NOUN
eurjchem-1962	115	24	.	.	PUNCT
eurjchem-1962	116	1	the	the	DET
eurjchem-1962	116	2	ph	ph	NOUN
eurjchem-1962	116	3	of	of	ADP
eurjchem-1962	116	4	medium	medium	NOUN
eurjchem-1962	116	5	interacts	interact	VERB
eurjchem-1962	116	6	differently	differently	ADV
eurjchem-1962	116	7	with	with	ADP
eurjchem-1962	116	8	the	the	DET
eurjchem-1962	116	9	ionizable	ionizable	ADJ
eurjchem-1962	116	10	groups	group	NOUN
eurjchem-1962	116	11	having	have	VERB
eurjchem-1962	116	12	variable	variable	ADJ
eurjchem-1962	116	13	pka	pka	PROPN
eurjchem-1962	116	14	values	value	NOUN
eurjchem-1962	116	15	.	.	PUNCT
eurjchem-1962	117	1	kumar	kumar	PROPN
eurjchem-1962	117	2	et	et	PROPN
eurjchem-1962	117	3	al	al	PROPN
eurjchem-1962	117	4	.	.	PUNCT
eurjchem-1962	117	5	/	/	SYM
eurjchem-1962	117	6	european	european	PROPN
eurjchem-1962	117	7	journal	journal	PROPN
eurjchem-1962	117	8	of	of	ADP
eurjchem-1962	117	9	chemistry	chemistry	NOUN
eurjchem-1962	117	10	11	11	NUM
eurjchem-1962	117	11	(	(	PUNCT
eurjchem-1962	117	12	2	2	NUM
eurjchem-1962	117	13	)	)	PUNCT
eurjchem-1962	117	14	(	(	PUNCT
eurjchem-1962	117	15	2020	2020	NUM
eurjchem-1962	117	16	)	)	PUNCT
eurjchem-1962	117	17	168	168	NUM
eurjchem-1962	117	18	-	-	SYM
eurjchem-1962	117	19	178	178	NUM
eurjchem-1962	117	20	171	171	NUM
eurjchem-1962	117	21	2020	2020	NUM
eurjchem-1962	117	22	–	–	PUNCT
eurjchem-1962	117	23	european	european	ADJ
eurjchem-1962	117	24	journal	journal	NOUN
eurjchem-1962	117	25	of	of	ADP
eurjchem-1962	117	26	chemistry	chemistry	NOUN
eurjchem-1962	117	27	–	–	PUNCT
eurjchem-1962	117	28	cc	cc	NOUN
eurjchem-1962	117	29	by	by	ADP
eurjchem-1962	117	30	nc	nc	PROPN
eurjchem-1962	117	31	–	–	PUNCT
eurjchem-1962	117	32	doi	doi	NOUN
eurjchem-1962	117	33	:	:	PUNCT
eurjchem-1962	117	34	10.5155	10.5155	NUM
eurjchem-1962	117	35	/	/	SYM
eurjchem-1962	117	36	eurjchem.11.2.168	eurjchem.11.2.168	NOUN
eurjchem-1962	117	37	-	-	PUNCT
eurjchem-1962	117	38	178.1962	178.1962	NUM
eurjchem-1962	117	39	figure	figure	NOUN
eurjchem-1962	117	40	3	3	NUM
eurjchem-1962	117	41	.	.	NOUN
eurjchem-1962	117	42	example	example	NOUN
eurjchem-1962	117	43	for	for	ADP
eurjchem-1962	117	44	the	the	DET
eurjchem-1962	117	45	maximum	maximum	ADJ
eurjchem-1962	117	46	drug	drug	NOUN
eurjchem-1962	117	47	-	-	PUNCT
eurjchem-1962	117	48	likeness	likeness	NOUN
eurjchem-1962	117	49	model	model	NOUN
eurjchem-1962	117	50	score	score	NOUN
eurjchem-1962	117	51	of	of	ADP
eurjchem-1962	117	52	a	a	DET
eurjchem-1962	117	53	standard	standard	ADJ
eurjchem-1962	117	54	drug	drug	NOUN
eurjchem-1962	117	55	with	with	ADP
eurjchem-1962	117	56	partition	partition	NOUN
eurjchem-1962	117	57	co	co	ADJ
eurjchem-1962	117	58	-	-	ADJ
eurjchem-1962	117	59	efficient	efficient	ADJ
eurjchem-1962	117	60	and	and	CCONJ
eurjchem-1962	117	61	concentration	concentration	NOUN
eurjchem-1962	117	62	to	to	PART
eurjchem-1962	117	63	produce	produce	VERB
eurjchem-1962	117	64	standard	standard	ADJ
eurjchem-1962	117	65	biological	biological	ADJ
eurjchem-1962	117	66	effect	effect	NOUN
eurjchem-1962	117	67	.	.	PUNCT
eurjchem-1962	118	1	log	log	VERB
eurjchem-1962	118	2	1	1	NUM
eurjchem-1962	118	3	/	/	SYM
eurjchem-1962	118	4	c	c	NOUN
eurjchem-1962	118	5	is	be	AUX
eurjchem-1962	118	6	the	the	DET
eurjchem-1962	118	7	concentration	concentration	NOUN
eurjchem-1962	118	8	of	of	ADP
eurjchem-1962	118	9	compound	compound	NOUN
eurjchem-1962	118	10	required	require	VERB
eurjchem-1962	118	11	to	to	PART
eurjchem-1962	118	12	produce	produce	VERB
eurjchem-1962	118	13	a	a	DET
eurjchem-1962	118	14	standard	standard	ADJ
eurjchem-1962	118	15	response	response	NOUN
eurjchem-1962	118	16	in	in	ADP
eurjchem-1962	118	17	a	a	DET
eurjchem-1962	118	18	given	give	VERB
eurjchem-1962	118	19	time	time	NOUN
eurjchem-1962	118	20	,	,	PUNCT
eurjchem-1962	118	21	log	log	PROPN
eurjchem-1962	118	22	p	p	NOUN
eurjchem-1962	118	23	is	be	AUX
eurjchem-1962	118	24	the	the	DET
eurjchem-1962	118	25	logarithm	logarithm	NOUN
eurjchem-1962	118	26	of	of	ADP
eurjchem-1962	118	27	molecules	molecule	NOUN
eurjchem-1962	118	28	partition	partition	NOUN
eurjchem-1962	118	29	coefficient	coefficient	NOUN
eurjchem-1962	118	30	between	between	ADP
eurjchem-1962	118	31	1	1	NUM
eurjchem-1962	118	32	-	-	PUNCT
eurjchem-1962	118	33	octanol	octanol	NOUN
eurjchem-1962	118	34	and	and	CCONJ
eurjchem-1962	118	35	water	water	NOUN
eurjchem-1962	118	36	,	,	PUNCT
eurjchem-1962	118	37	log	log	NOUN
eurjchem-1962	118	38	po	po	PROPN
eurjchem-1962	118	39	is	be	AUX
eurjchem-1962	118	40	the	the	DET
eurjchem-1962	118	41	logarithm	logarithm	NOUN
eurjchem-1962	118	42	of	of	ADP
eurjchem-1962	118	43	optimum	optimum	ADJ
eurjchem-1962	118	44	partition	partition	NOUN
eurjchem-1962	118	45	coefficient	coefficient	NOUN
eurjchem-1962	118	46	for	for	ADP
eurjchem-1962	118	47	biological	biological	ADJ
eurjchem-1962	118	48	activity	activity	NOUN
eurjchem-1962	118	49	.	.	PUNCT
eurjchem-1962	119	1	the	the	DET
eurjchem-1962	119	2	pka	pka	PROPN
eurjchem-1962	119	3	distribution	distribution	NOUN
eurjchem-1962	119	4	of	of	ADP
eurjchem-1962	119	5	drug	drug	NOUN
eurjchem-1962	119	6	molecules	molecule	NOUN
eurjchem-1962	119	7	can	can	AUX
eurjchem-1962	119	8	impact	impact	VERB
eurjchem-1962	119	9	in	in	ADP
eurjchem-1962	119	10	two	two	NUM
eurjchem-1962	119	11	different	different	ADJ
eurjchem-1962	119	12	channels	channel	NOUN
eurjchem-1962	119	13	.	.	PUNCT
eurjchem-1962	120	1	one	one	NUM
eurjchem-1962	120	2	is	be	AUX
eurjchem-1962	120	3	structure	structure	NOUN
eurjchem-1962	120	4	related	relate	VERB
eurjchem-1962	120	5	activity	activity	NOUN
eurjchem-1962	120	6	of	of	ADP
eurjchem-1962	120	7	functional	functional	ADJ
eurjchem-1962	120	8	groups	group	NOUN
eurjchem-1962	120	9	of	of	ADP
eurjchem-1962	120	10	the	the	DET
eurjchem-1962	120	11	drug	drug	NOUN
eurjchem-1962	120	12	molecule	molecule	NOUN
eurjchem-1962	120	13	and	and	CCONJ
eurjchem-1962	120	14	the	the	DET
eurjchem-1962	120	15	ideal	ideal	ADJ
eurjchem-1962	120	16	range	range	NOUN
eurjchem-1962	120	17	of	of	ADP
eurjchem-1962	120	18	pka	pka	PROPN
eurjchem-1962	120	19	values	value	NOUN
eurjchem-1962	120	20	that	that	PRON
eurjchem-1962	120	21	they	they	PRON
eurjchem-1962	120	22	span	span	VERB
eurjchem-1962	120	23	.	.	PUNCT
eurjchem-1962	121	1	the	the	DET
eurjchem-1962	121	2	other	other	ADJ
eurjchem-1962	121	3	factor	factor	NOUN
eurjchem-1962	121	4	concerns	concern	VERB
eurjchem-1962	121	5	the	the	DET
eurjchem-1962	121	6	biological	biological	ADJ
eurjchem-1962	121	7	targets	target	NOUN
eurjchem-1962	121	8	of	of	ADP
eurjchem-1962	121	9	these	these	DET
eurjchem-1962	121	10	compounds	compound	NOUN
eurjchem-1962	121	11	that	that	PRON
eurjchem-1962	121	12	are	be	AUX
eurjchem-1962	121	13	designed	design	VERB
eurjchem-1962	121	14	to	to	PART
eurjchem-1962	121	15	hit	hit	VERB
eurjchem-1962	121	16	[	[	PUNCT
eurjchem-1962	121	17	22	22	NUM
eurjchem-1962	121	18	]	]	PUNCT
eurjchem-1962	121	19	.	.	PUNCT
eurjchem-1962	122	1	the	the	DET
eurjchem-1962	122	2	pka	pka	PROPN
eurjchem-1962	122	3	value	value	NOUN
eurjchem-1962	122	4	of	of	ADP
eurjchem-1962	122	5	a	a	DET
eurjchem-1962	122	6	drug	drug	NOUN
eurjchem-1962	122	7	molecule	molecule	NOUN
eurjchem-1962	122	8	can	can	AUX
eurjchem-1962	122	9	impact	impact	VERB
eurjchem-1962	122	10	lipophilicity	lipophilicity	NOUN
eurjchem-1962	122	11	,	,	PUNCT
eurjchem-1962	122	12	solubility	solubility	NOUN
eurjchem-1962	122	13	,	,	PUNCT
eurjchem-1962	122	14	receptor	receptor	NOUN
eurjchem-1962	122	15	binding	bind	VERB
eurjchem-1962	122	16	ability	ability	NOUN
eurjchem-1962	122	17	and	and	CCONJ
eurjchem-1962	122	18	membrane	membrane	NOUN
eurjchem-1962	122	19	permeability	permeability	NOUN
eurjchem-1962	122	20	,	,	PUNCT
eurjchem-1962	122	21	which	which	PRON
eurjchem-1962	122	22	in	in	ADP
eurjchem-1962	122	23	turn	turn	NOUN
eurjchem-1962	122	24	directly	directly	ADV
eurjchem-1962	122	25	affect	affect	VERB
eurjchem-1962	122	26	the	the	DET
eurjchem-1962	122	27	pharmacokinetic	pharmacokinetic	ADJ
eurjchem-1962	122	28	properties	property	NOUN
eurjchem-1962	122	29	.	.	PUNCT
eurjchem-1962	123	1	5	5	X
eurjchem-1962	123	2	.	.	PUNCT
eurjchem-1962	123	3	biological	biological	ADJ
eurjchem-1962	123	4	properties	property	NOUN
eurjchem-1962	123	5	for	for	ADP
eurjchem-1962	123	6	depicting	depict	VERB
eurjchem-1962	123	7	the	the	DET
eurjchem-1962	123	8	screening	screening	NOUN
eurjchem-1962	123	9	of	of	ADP
eurjchem-1962	123	10	a	a	DET
eurjchem-1962	123	11	small	small	ADJ
eurjchem-1962	123	12	molecule	molecule	NOUN
eurjchem-1962	123	13	and	and	CCONJ
eurjchem-1962	123	14	their	their	PRON
eurjchem-1962	123	15	target	target	NOUN
eurjchem-1962	123	16	evaluation	evaluation	NOUN
eurjchem-1962	123	17	of	of	ADP
eurjchem-1962	123	18	biological	biological	ADJ
eurjchem-1962	123	19	properties	property	NOUN
eurjchem-1962	123	20	,	,	PUNCT
eurjchem-1962	123	21	we	we	PRON
eurjchem-1962	123	22	selected	select	VERB
eurjchem-1962	123	23	doxorubicin	doxorubicin	PROPN
eurjchem-1962	123	24	as	as	ADP
eurjchem-1962	123	25	a	a	DET
eurjchem-1962	123	26	drug	drug	NOUN
eurjchem-1962	123	27	molecule	molecule	NOUN
eurjchem-1962	123	28	,	,	PUNCT
eurjchem-1962	123	29	the	the	DET
eurjchem-1962	123	30	structure	structure	NOUN
eurjchem-1962	123	31	of	of	ADP
eurjchem-1962	123	32	which	which	PRON
eurjchem-1962	123	33	was	be	AUX
eurjchem-1962	123	34	downloaded	download	VERB
eurjchem-1962	123	35	from	from	ADP
eurjchem-1962	123	36	the	the	DET
eurjchem-1962	123	37	zinc	zinc	NOUN
eurjchem-1962	123	38	database	database	NOUN
eurjchem-1962	123	39	(	(	PUNCT
eurjchem-1962	123	40	zinc3918087	zinc3918087	PROPN
eurjchem-1962	123	41	)	)	PUNCT
eurjchem-1962	123	42	(	(	PUNCT
eurjchem-1962	123	43	https://zinc.docking.org/substances/home/	https://zinc.docking.org/substances/home/	PROPN
eurjchem-1962	123	44	)	)	PUNCT
eurjchem-1962	124	1	[	[	X
eurjchem-1962	124	2	23	23	NUM
eurjchem-1962	124	3	]	]	PUNCT
eurjchem-1962	124	4	.	.	PUNCT
eurjchem-1962	125	1	the	the	DET
eurjchem-1962	125	2	therapeutic	therapeutic	ADJ
eurjchem-1962	125	3	screening	screening	NOUN
eurjchem-1962	125	4	of	of	ADP
eurjchem-1962	125	5	this	this	DET
eurjchem-1962	125	6	drug	drug	NOUN
eurjchem-1962	125	7	molecule	molecule	NOUN
eurjchem-1962	125	8	was	be	AUX
eurjchem-1962	125	9	performed	perform	VERB
eurjchem-1962	125	10	and	and	CCONJ
eurjchem-1962	125	11	the	the	DET
eurjchem-1962	125	12	structure	structure	NOUN
eurjchem-1962	125	13	was	be	AUX
eurjchem-1962	125	14	visualized	visualize	VERB
eurjchem-1962	125	15	by	by	ADP
eurjchem-1962	125	16	using	use	VERB
eurjchem-1962	125	17	online	online	ADJ
eurjchem-1962	125	18	tool	tool	NOUN
eurjchem-1962	125	19	chemaxon	chemaxon	NOUN
eurjchem-1962	125	20	(	(	PUNCT
eurjchem-1962	125	21	https://marvinjs-demo.chemaxon.com/latest/demo.html	https://marvinjs-demo.chemaxon.com/latest/demo.html	NOUN
eurjchem-1962	125	22	)	)	PUNCT
eurjchem-1962	125	23	.	.	PUNCT
eurjchem-1962	126	1	the	the	DET
eurjchem-1962	126	2	generated	generate	VERB
eurjchem-1962	126	3	images	image	NOUN
eurjchem-1962	126	4	of	of	ADP
eurjchem-1962	126	5	the	the	DET
eurjchem-1962	126	6	molecule	molecule	NOUN
eurjchem-1962	126	7	are	be	AUX
eurjchem-1962	126	8	as	as	SCONJ
eurjchem-1962	126	9	shown	show	VERB
eurjchem-1962	126	10	in	in	ADP
eurjchem-1962	126	11	figure	figure	NOUN
eurjchem-1962	126	12	4	4	NUM
eurjchem-1962	126	13	.	.	NOUN
eurjchem-1962	126	14	5.1	5.1	NUM
eurjchem-1962	126	15	.	.	PUNCT
eurjchem-1962	127	1	absorption	absorption	NOUN
eurjchem-1962	127	2	,	,	PUNCT
eurjchem-1962	127	3	distribution	distribution	NOUN
eurjchem-1962	127	4	,	,	PUNCT
eurjchem-1962	127	5	metabolism	metabolism	NOUN
eurjchem-1962	127	6	,	,	PUNCT
eurjchem-1962	127	7	excretion	excretion	NOUN
eurjchem-1962	127	8	and	and	CCONJ
eurjchem-1962	127	9	toxicity	toxicity	NOUN
eurjchem-1962	127	10	(	(	PUNCT
eurjchem-1962	127	11	admet	admet	PROPN
eurjchem-1962	127	12	)	)	PUNCT
eurjchem-1962	127	13	the	the	DET
eurjchem-1962	127	14	absorption	absorption	NOUN
eurjchem-1962	127	15	,	,	PUNCT
eurjchem-1962	127	16	distribution	distribution	NOUN
eurjchem-1962	127	17	,	,	PUNCT
eurjchem-1962	127	18	metabolism	metabolism	NOUN
eurjchem-1962	127	19	,	,	PUNCT
eurjchem-1962	127	20	excretion	excretion	NOUN
eurjchem-1962	127	21	and	and	CCONJ
eurjchem-1962	127	22	toxicity	toxicity	NOUN
eurjchem-1962	127	23	(	(	PUNCT
eurjchem-1962	127	24	admet	admet	PROPN
eurjchem-1962	127	25	)	)	PUNCT
eurjchem-1962	127	26	data	datum	NOUN
eurjchem-1962	127	27	can	can	AUX
eurjchem-1962	127	28	be	be	AUX
eurjchem-1962	127	29	obtained	obtain	VERB
eurjchem-1962	127	30	in	in	ADP
eurjchem-1962	127	31	three	three	NUM
eurjchem-1962	127	32	ways	way	NOUN
eurjchem-1962	127	33	.	.	PUNCT
eurjchem-1962	128	1	first	first	ADV
eurjchem-1962	128	2	,	,	PUNCT
eurjchem-1962	128	3	by	by	ADP
eurjchem-1962	128	4	a	a	DET
eurjchem-1962	128	5	series	series	NOUN
eurjchem-1962	128	6	of	of	ADP
eurjchem-1962	128	7	cell	cell	NOUN
eurjchem-1962	128	8	-	-	PUNCT
eurjchem-1962	128	9	based	base	VERB
eurjchem-1962	128	10	assays	assay	NOUN
eurjchem-1962	128	11	(	(	PUNCT
eurjchem-1962	128	12	in	in	ADP
eurjchem-1962	128	13	vitro	vitro	X
eurjchem-1962	128	14	)	)	PUNCT
eurjchem-1962	128	15	,	,	PUNCT
eurjchem-1962	128	16	the	the	DET
eurjchem-1962	128	17	second	second	NOUN
eurjchem-1962	128	18	is	be	AUX
eurjchem-1962	128	19	from	from	ADP
eurjchem-1962	128	20	the	the	DET
eurjchem-1962	128	21	computational	computational	ADJ
eurjchem-1962	128	22	approaches	approach	NOUN
eurjchem-1962	128	23	or	or	CCONJ
eurjchem-1962	128	24	by	by	ADP
eurjchem-1962	128	25	in	in	ADP
eurjchem-1962	128	26	silico	silico	NOUN
eurjchem-1962	128	27	prediction	prediction	NOUN
eurjchem-1962	128	28	.	.	PUNCT
eurjchem-1962	129	1	in	in	ADP
eurjchem-1962	129	2	the	the	DET
eurjchem-1962	129	3	third	third	ADJ
eurjchem-1962	129	4	category	category	NOUN
eurjchem-1962	129	5	,	,	PUNCT
eurjchem-1962	129	6	the	the	DET
eurjchem-1962	129	7	predictive	predictive	ADJ
eurjchem-1962	129	8	models	model	NOUN
eurjchem-1962	129	9	have	have	AUX
eurjchem-1962	129	10	been	be	AUX
eurjchem-1962	129	11	improved	improve	VERB
eurjchem-1962	129	12	that	that	PRON
eurjchem-1962	129	13	can	can	AUX
eurjchem-1962	129	14	eventually	eventually	ADV
eurjchem-1962	129	15	influx	influx	VERB
eurjchem-1962	129	16	in	in	ADP
eurjchem-1962	129	17	the	the	DET
eurjchem-1962	129	18	process	process	NOUN
eurjchem-1962	129	19	of	of	ADP
eurjchem-1962	129	20	drug	drug	NOUN
eurjchem-1962	129	21	discovery	discovery	NOUN
eurjchem-1962	129	22	and	and	CCONJ
eurjchem-1962	129	23	drug	drug	NOUN
eurjchem-1962	129	24	design	design	NOUN
eurjchem-1962	129	25	to	to	PART
eurjchem-1962	129	26	replace	replace	VERB
eurjchem-1962	129	27	in	in	ADP
eurjchem-1962	129	28	vitro	vitro	X
eurjchem-1962	129	29	assays	assay	NOUN
eurjchem-1962	129	30	and/or	and/or	CCONJ
eurjchem-1962	129	31	in	in	ADP
eurjchem-1962	129	32	vivo	vivo	ADJ
eurjchem-1962	129	33	experiments	experiment	NOUN
eurjchem-1962	129	34	.	.	PUNCT
eurjchem-1962	130	1	the	the	DET
eurjchem-1962	130	2	in	in	ADP
eurjchem-1962	130	3	vitro	vitro	X
eurjchem-1962	130	4	and	and	CCONJ
eurjchem-1962	130	5	in	in	ADP
eurjchem-1962	130	6	vivo	vivo	ADJ
eurjchem-1962	130	7	experiments	experiment	NOUN
eurjchem-1962	130	8	are	be	AUX
eurjchem-1962	130	9	generally	generally	ADV
eurjchem-1962	130	10	time	time	NOUN
eurjchem-1962	130	11	-	-	PUNCT
eurjchem-1962	130	12	consuming	consume	VERB
eurjchem-1962	130	13	,	,	PUNCT
eurjchem-1962	130	14	expensive	expensive	ADJ
eurjchem-1962	130	15	and	and	CCONJ
eurjchem-1962	130	16	the	the	DET
eurjchem-1962	130	17	most	most	ADV
eurjchem-1962	130	18	important	important	ADJ
eurjchem-1962	130	19	thing	thing	NOUN
eurjchem-1962	130	20	is	be	AUX
eurjchem-1962	130	21	that	that	SCONJ
eurjchem-1962	130	22	the	the	DET
eurjchem-1962	130	23	drug	drug	NOUN
eurjchem-1962	130	24	candidate	candidate	NOUN
eurjchem-1962	130	25	has	have	VERB
eurjchem-1962	130	26	to	to	PART
eurjchem-1962	130	27	be	be	AUX
eurjchem-1962	130	28	procured	procure	VERB
eurjchem-1962	130	29	to	to	PART
eurjchem-1962	130	30	carry	carry	VERB
eurjchem-1962	130	31	out	out	ADP
eurjchem-1962	130	32	these	these	DET
eurjchem-1962	130	33	experiments	experiment	NOUN
eurjchem-1962	130	34	.	.	PUNCT
eurjchem-1962	131	1	by	by	ADP
eurjchem-1962	131	2	using	use	VERB
eurjchem-1962	131	3	in	in	ADP
eurjchem-1962	131	4	silico	silico	NOUN
eurjchem-1962	131	5	approach	approach	NOUN
eurjchem-1962	131	6	,	,	PUNCT
eurjchem-1962	131	7	one	one	PRON
eurjchem-1962	131	8	can	can	AUX
eurjchem-1962	131	9	first	first	ADV
eurjchem-1962	131	10	derive	derive	VERB
eurjchem-1962	131	11	a	a	DET
eurjchem-1962	131	12	potent	potent	ADJ
eurjchem-1962	131	13	promising	promise	VERB
eurjchem-1962	131	14	molecule	molecule	NOUN
eurjchem-1962	131	15	for	for	ADP
eurjchem-1962	131	16	further	far	ADV
eurjchem-1962	131	17	in	in	ADP
eurjchem-1962	131	18	vitro	vitro	X
eurjchem-1962	131	19	and	and	CCONJ
eurjchem-1962	131	20	in	in	ADP
eurjchem-1962	131	21	vivo	vivo	NOUN
eurjchem-1962	131	22	based	base	VERB
eurjchem-1962	131	23	assays	assay	NOUN
eurjchem-1962	131	24	.	.	PUNCT
eurjchem-1962	132	1	the	the	DET
eurjchem-1962	132	2	idea	idea	NOUN
eurjchem-1962	132	3	behind	behind	ADP
eurjchem-1962	132	4	the	the	DET
eurjchem-1962	132	5	rule	rule	NOUN
eurjchem-1962	132	6	of	of	ADP
eurjchem-1962	132	7	5	5	NUM
eurjchem-1962	132	8	(	(	PUNCT
eurjchem-1962	132	9	admet	admet	PROPN
eurjchem-1962	132	10	)	)	PUNCT
eurjchem-1962	132	11	is	be	AUX
eurjchem-1962	132	12	to	to	PART
eurjchem-1962	132	13	find	find	VERB
eurjchem-1962	132	14	the	the	DET
eurjchem-1962	132	15	biological	biological	ADJ
eurjchem-1962	132	16	potential	potential	NOUN
eurjchem-1962	132	17	of	of	ADP
eurjchem-1962	132	18	a	a	DET
eurjchem-1962	132	19	drug	drug	NOUN
eurjchem-1962	132	20	candidate	candidate	NOUN
eurjchem-1962	132	21	.	.	PUNCT
eurjchem-1962	133	1	according	accord	VERB
eurjchem-1962	133	2	to	to	ADP
eurjchem-1962	133	3	admet	admet	PROPN
eurjchem-1962	133	4	descriptors	descriptor	NOUN
eurjchem-1962	133	5	,	,	PUNCT
eurjchem-1962	133	6	the	the	DET
eurjchem-1962	133	7	drug	drug	NOUN
eurjchem-1962	133	8	molecules	molecule	NOUN
eurjchem-1962	133	9	should	should	AUX
eurjchem-1962	133	10	pass	pass	VERB
eurjchem-1962	133	11	through	through	ADP
eurjchem-1962	133	12	all	all	DET
eurjchem-1962	133	13	the	the	DET
eurjchem-1962	133	14	pipelines	pipeline	NOUN
eurjchem-1962	133	15	of	of	ADP
eurjchem-1962	133	16	every	every	DET
eurjchem-1962	133	17	descriptor	descriptor	NOUN
eurjchem-1962	133	18	without	without	ADP
eurjchem-1962	133	19	violating	violate	VERB
eurjchem-1962	133	20	rule	rule	NOUN
eurjchem-1962	133	21	of	of	ADP
eurjchem-1962	133	22	5	5	NUM
eurjchem-1962	133	23	.	.	PUNCT
eurjchem-1962	134	1	this	this	PRON
eurjchem-1962	134	2	is	be	AUX
eurjchem-1962	134	3	very	very	ADV
eurjchem-1962	134	4	important	important	ADJ
eurjchem-1962	134	5	for	for	ADP
eurjchem-1962	134	6	their	their	PRON
eurjchem-1962	134	7	successful	successful	ADJ
eurjchem-1962	134	8	biological	biological	ADJ
eurjchem-1962	134	9	activity	activity	NOUN
eurjchem-1962	134	10	when	when	SCONJ
eurjchem-1962	134	11	considering	consider	VERB
eurjchem-1962	134	12	the	the	DET
eurjchem-1962	134	13	administration	administration	NOUN
eurjchem-1962	134	14	of	of	ADP
eurjchem-1962	134	15	drugs	drug	NOUN
eurjchem-1962	134	16	orally	orally	ADV
eurjchem-1962	134	17	or	or	CCONJ
eurjchem-1962	134	18	from	from	ADP
eurjchem-1962	134	19	any	any	DET
eurjchem-1962	134	20	route	route	NOUN
eurjchem-1962	134	21	with	with	ADP
eurjchem-1962	134	22	real	real	ADJ
eurjchem-1962	134	23	therapeutic	therapeutic	ADJ
eurjchem-1962	134	24	potential	potential	NOUN
eurjchem-1962	134	25	.	.	PUNCT
eurjchem-1962	135	1	the	the	DET
eurjchem-1962	135	2	results	result	NOUN
eurjchem-1962	135	3	from	from	ADP
eurjchem-1962	135	4	the	the	DET
eurjchem-1962	135	5	rule	rule	NOUN
eurjchem-1962	135	6	of	of	ADP
eurjchem-1962	135	7	5	5	NUM
eurjchem-1962	135	8	are	be	AUX
eurjchem-1962	135	9	only	only	ADV
eurjchem-1962	135	10	indicative	indicative	ADJ
eurjchem-1962	135	11	,	,	PUNCT
eurjchem-1962	135	12	which	which	PRON
eurjchem-1962	135	13	means	mean	VERB
eurjchem-1962	135	14	that	that	SCONJ
eurjchem-1962	135	15	a	a	DET
eurjchem-1962	135	16	drug	drug	NOUN
eurjchem-1962	135	17	molecule	molecule	NOUN
eurjchem-1962	135	18	violating	violate	VERB
eurjchem-1962	135	19	the	the	DET
eurjchem-1962	135	20	rule	rule	NOUN
eurjchem-1962	135	21	of	of	ADP
eurjchem-1962	135	22	5	5	NUM
eurjchem-1962	135	23	does	do	AUX
eurjchem-1962	135	24	not	not	PART
eurjchem-1962	135	25	mean	mean	VERB
eurjchem-1962	135	26	they	they	PRON
eurjchem-1962	135	27	have	have	VERB
eurjchem-1962	135	28	completely	completely	ADV
eurjchem-1962	135	29	poor	poor	ADJ
eurjchem-1962	135	30	bioavailability	bioavailability	NOUN
eurjchem-1962	135	31	.	.	PUNCT
eurjchem-1962	136	1	it	it	PRON
eurjchem-1962	136	2	should	should	AUX
eurjchem-1962	136	3	be	be	AUX
eurjchem-1962	136	4	viewed	view	VERB
eurjchem-1962	136	5	more	more	ADV
eurjchem-1962	136	6	like	like	ADP
eurjchem-1962	136	7	a	a	DET
eurjchem-1962	136	8	quantitative	quantitative	ADJ
eurjchem-1962	136	9	predictor	predictor	NOUN
eurjchem-1962	136	10	as	as	SCONJ
eurjchem-1962	136	11	it	it	PRON
eurjchem-1962	136	12	alerts	alert	VERB
eurjchem-1962	136	13	that	that	PRON
eurjchem-1962	136	14	poor	poor	ADJ
eurjchem-1962	136	15	absorption	absorption	NOUN
eurjchem-1962	136	16	or	or	CCONJ
eurjchem-1962	136	17	permeability	permeability	NOUN
eurjchem-1962	136	18	is	be	AUX
eurjchem-1962	136	19	possible	possible	ADJ
eurjchem-1962	136	20	,	,	PUNCT
eurjchem-1962	136	21	and	and	CCONJ
eurjchem-1962	136	22	thus	thus	ADV
eurjchem-1962	136	23	,	,	PUNCT
eurjchem-1962	136	24	helps	help	VERB
eurjchem-1962	136	25	to	to	PART
eurjchem-1962	136	26	pay	pay	VERB
eurjchem-1962	136	27	special	special	ADJ
eurjchem-1962	136	28	attention	attention	NOUN
eurjchem-1962	136	29	towards	towards	ADP
eurjchem-1962	136	30	preparing	prepare	VERB
eurjchem-1962	136	31	potential	potential	ADJ
eurjchem-1962	136	32	drug	drug	NOUN
eurjchem-1962	136	33	molecule	molecule	NOUN
eurjchem-1962	136	34	having	have	VERB
eurjchem-1962	136	35	less	less	ADJ
eurjchem-1962	136	36	toxicity	toxicity	NOUN
eurjchem-1962	136	37	and	and	CCONJ
eurjchem-1962	136	38	more	more	ADJ
eurjchem-1962	136	39	bioavailability	bioavailability	NOUN
eurjchem-1962	136	40	to	to	PART
eurjchem-1962	136	41	overcome	overcome	VERB
eurjchem-1962	136	42	the	the	DET
eurjchem-1962	136	43	pitfalls	pitfall	NOUN
eurjchem-1962	136	44	in	in	ADP
eurjchem-1962	136	45	drug	drug	NOUN
eurjchem-1962	136	46	properties	property	NOUN
eurjchem-1962	136	47	[	[	X
eurjchem-1962	136	48	24	24	NUM
eurjchem-1962	136	49	]	]	PUNCT
eurjchem-1962	136	50	.	.	PUNCT
eurjchem-1962	137	1	the	the	DET
eurjchem-1962	137	2	absorption	absorption	NOUN
eurjchem-1962	137	3	occurs	occur	VERB
eurjchem-1962	137	4	across	across	ADP
eurjchem-1962	137	5	different	different	ADJ
eurjchem-1962	137	6	channels	channel	NOUN
eurjchem-1962	137	7	such	such	ADJ
eurjchem-1962	137	8	as	as	ADP
eurjchem-1962	137	9	passive	passive	ADJ
eurjchem-1962	137	10	transcellular	transcellular	NOUN
eurjchem-1962	137	11	and	and	CCONJ
eurjchem-1962	137	12	paracellular	paracellular	ADJ
eurjchem-1962	137	13	absorption	absorption	NOUN
eurjchem-1962	137	14	,	,	PUNCT
eurjchem-1962	137	15	carriermediated	carriermediate	VERB
eurjchem-1962	137	16	absorption	absorption	NOUN
eurjchem-1962	137	17	,	,	PUNCT
eurjchem-1962	137	18	and	and	CCONJ
eurjchem-1962	137	19	receptor	receptor	NOUN
eurjchem-1962	137	20	-	-	PUNCT
eurjchem-1962	137	21	mediated	mediate	VERB
eurjchem-1962	137	22	endocytosis	endocytosis	NOUN
eurjchem-1962	137	23	in	in	ADP
eurjchem-1962	137	24	the	the	DET
eurjchem-1962	137	25	biological	biological	ADJ
eurjchem-1962	137	26	membrane	membrane	NOUN
eurjchem-1962	137	27	[	[	X
eurjchem-1962	137	28	25	25	NUM
eurjchem-1962	137	29	]	]	PUNCT
eurjchem-1962	137	30	.	.	PUNCT
eurjchem-1962	138	1	the	the	DET
eurjchem-1962	138	2	polar	polar	ADJ
eurjchem-1962	138	3	compounds	compound	NOUN
eurjchem-1962	138	4	absorption	absorption	NOUN
eurjchem-1962	138	5	takes	take	VERB
eurjchem-1962	138	6	place	place	NOUN
eurjchem-1962	138	7	by	by	ADP
eurjchem-1962	138	8	the	the	DET
eurjchem-1962	138	9	paracellular	paracellular	ADJ
eurjchem-1962	138	10	absorption	absorption	NOUN
eurjchem-1962	138	11	which	which	PRON
eurjchem-1962	138	12	occurs	occur	VERB
eurjchem-1962	138	13	by	by	ADP
eurjchem-1962	138	14	diffusion	diffusion	NOUN
eurjchem-1962	138	15	through	through	ADP
eurjchem-1962	138	16	the	the	DET
eurjchem-1962	138	17	tight	tight	ADJ
eurjchem-1962	138	18	junctions	junction	NOUN
eurjchem-1962	138	19	between	between	ADP
eurjchem-1962	138	20	the	the	DET
eurjchem-1962	138	21	cells	cell	NOUN
eurjchem-1962	138	22	[	[	X
eurjchem-1962	138	23	26	26	NUM
eurjchem-1962	138	24	]	]	PUNCT
eurjchem-1962	138	25	.	.	PUNCT
eurjchem-1962	139	1	the	the	DET
eurjchem-1962	139	2	most	most	ADV
eurjchem-1962	139	3	important	important	ADJ
eurjchem-1962	139	4	physicochemical	physicochemical	ADJ
eurjchem-1962	139	5	properties	property	NOUN
eurjchem-1962	139	6	for	for	ADP
eurjchem-1962	139	7	passive	passive	ADJ
eurjchem-1962	139	8	absorption	absorption	NOUN
eurjchem-1962	139	9	of	of	ADP
eurjchem-1962	139	10	a	a	DET
eurjchem-1962	139	11	drug	drug	NOUN
eurjchem-1962	139	12	candidate	candidate	NOUN
eurjchem-1962	139	13	from	from	ADP
eurjchem-1962	139	14	the	the	DET
eurjchem-1962	139	15	gastro	gastro	ADJ
eurjchem-1962	139	16	intestinal	intestinal	ADJ
eurjchem-1962	139	17	(	(	PUNCT
eurjchem-1962	139	18	gi	gi	NOUN
eurjchem-1962	139	19	)	)	PUNCT
eurjchem-1962	139	20	tract	tract	NOUN
eurjchem-1962	139	21	are	be	AUX
eurjchem-1962	139	22	its	its	PRON
eurjchem-1962	139	23	aqueous	aqueous	ADJ
eurjchem-1962	139	24	solubility	solubility	NOUN
eurjchem-1962	139	25	and	and	CCONJ
eurjchem-1962	139	26	lipophilicity	lipophilicity	NOUN
eurjchem-1962	139	27	.	.	PUNCT
eurjchem-1962	140	1	the	the	DET
eurjchem-1962	140	2	pglycoprotein	pglycoprotein	ADJ
eurjchem-1962	140	3	(	(	PUNCT
eurjchem-1962	140	4	p	p	NOUN
eurjchem-1962	140	5	-	-	PUNCT
eurjchem-1962	140	6	gp	gp	NOUN
eurjchem-1962	140	7	)	)	PUNCT
eurjchem-1962	140	8	acts	act	VERB
eurjchem-1962	140	9	as	as	ADP
eurjchem-1962	140	10	an	an	DET
eurjchem-1962	140	11	efflux	efflux	NOUN
eurjchem-1962	140	12	pump	pump	NOUN
eurjchem-1962	140	13	in	in	ADP
eurjchem-1962	140	14	order	order	NOUN
eurjchem-1962	140	15	to	to	PART
eurjchem-1962	140	16	push	push	VERB
eurjchem-1962	140	17	the	the	DET
eurjchem-1962	140	18	molecules	molecule	NOUN
eurjchem-1962	140	19	out	out	ADP
eurjchem-1962	140	20	of	of	ADP
eurjchem-1962	140	21	the	the	DET
eurjchem-1962	140	22	membrane	membrane	NOUN
eurjchem-1962	140	23	.	.	PUNCT
eurjchem-1962	141	1	hence	hence	ADV
eurjchem-1962	141	2	,	,	PUNCT
eurjchem-1962	141	3	measuring	measure	VERB
eurjchem-1962	141	4	the	the	DET
eurjchem-1962	141	5	p	p	NOUN
eurjchem-1962	141	6	-	-	PUNCT
eurjchem-1962	141	7	gp	gp	NOUN
eurjchem-1962	141	8	substrate	substrate	NOUN
eurjchem-1962	141	9	through	through	ADP
eurjchem-1962	141	10	in	in	ADP
eurjchem-1962	141	11	silico	silico	NOUN
eurjchem-1962	141	12	will	will	AUX
eurjchem-1962	141	13	help	help	VERB
eurjchem-1962	141	14	the	the	DET
eurjchem-1962	141	15	prediction	prediction	NOUN
eurjchem-1962	141	16	of	of	ADP
eurjchem-1962	141	17	drug	drug	NOUN
eurjchem-1962	141	18	likeliness	likeliness	NOUN
eurjchem-1962	141	19	of	of	ADP
eurjchem-1962	141	20	a	a	DET
eurjchem-1962	141	21	molecule	molecule	NOUN
eurjchem-1962	141	22	.	.	PUNCT
eurjchem-1962	142	1	the	the	DET
eurjchem-1962	142	2	distribution	distribution	NOUN
eurjchem-1962	142	3	of	of	ADP
eurjchem-1962	142	4	entirely	entirely	ADV
eurjchem-1962	142	5	administered	administer	VERB
eurjchem-1962	142	6	test	test	NOUN
eurjchem-1962	142	7	dose	dose	NOUN
eurjchem-1962	142	8	of	of	ADP
eurjchem-1962	142	9	a	a	DET
eurjchem-1962	142	10	drug	drug	NOUN
eurjchem-1962	142	11	in	in	ADP
eurjchem-1962	142	12	the	the	DET
eurjchem-1962	142	13	body	body	NOUN
eurjchem-1962	142	14	(	(	PUNCT
eurjchem-1962	142	15	mg	mg	ADJ
eurjchem-1962	142	16	)	)	PUNCT
eurjchem-1962	142	17	will	will	AUX
eurjchem-1962	142	18	be	be	AUX
eurjchem-1962	142	19	divided	divide	VERB
eurjchem-1962	142	20	equally	equally	ADV
eurjchem-1962	142	21	in	in	ADP
eurjchem-1962	142	22	the	the	DET
eurjchem-1962	142	23	plasma	plasma	NOUN
eurjchem-1962	142	24	[	[	X
eurjchem-1962	142	25	27	27	NUM
eurjchem-1962	142	26	]	]	PUNCT
eurjchem-1962	142	27	.	.	PUNCT
eurjchem-1962	143	1	when	when	SCONJ
eurjchem-1962	143	2	a	a	DET
eurjchem-1962	143	3	drug	drug	NOUN
eurjchem-1962	143	4	molecule	molecule	NOUN
eurjchem-1962	143	5	is	be	AUX
eurjchem-1962	143	6	administrated	administrate	VERB
eurjchem-1962	143	7	by	by	ADP
eurjchem-1962	143	8	any	any	DET
eurjchem-1962	143	9	route	route	NOUN
eurjchem-1962	143	10	,	,	PUNCT
eurjchem-1962	143	11	it	it	PRON
eurjchem-1962	143	12	may	may	AUX
eurjchem-1962	143	13	permeate	permeate	VERB
eurjchem-1962	143	14	through	through	ADP
eurjchem-1962	143	15	the	the	DET
eurjchem-1962	143	16	bbb	bbb	NOUN
eurjchem-1962	143	17	or	or	CCONJ
eurjchem-1962	143	18	it	it	PRON
eurjchem-1962	143	19	may	may	AUX
eurjchem-1962	143	20	undergo	undergo	VERB
eurjchem-1962	143	21	human	human	ADJ
eurjchem-1962	143	22	intestinal	intestinal	ADJ
eurjchem-1962	143	23	absorption	absorption	NOUN
eurjchem-1962	143	24	(	(	PUNCT
eurjchem-1962	143	25	hia	hia	PROPN
eurjchem-1962	143	26	)	)	PUNCT
eurjchem-1962	143	27	.	.	PUNCT
eurjchem-1962	144	1	further	far	ADV
eurjchem-1962	144	2	,	,	PUNCT
eurjchem-1962	144	3	the	the	DET
eurjchem-1962	144	4	drug	drug	NOUN
eurjchem-1962	144	5	's	's	PART
eurjchem-1962	144	6	biodegradability	biodegradability	NOUN
eurjchem-1962	144	7	,	,	PUNCT
eurjchem-1962	144	8	caco-2	caco-2	NUM
eurjchem-1962	144	9	permeability	permeability	NOUN
eurjchem-1962	144	10	,	,	PUNCT
eurjchem-1962	144	11	ames	ame	NOUN
eurjchem-1962	144	12	toxicity	toxicity	NOUN
eurjchem-1962	144	13	and	and	CCONJ
eurjchem-1962	144	14	carcinogenicity	carcinogenicity	NOUN
eurjchem-1962	144	15	need	need	VERB
eurjchem-1962	144	16	to	to	PART
eurjchem-1962	144	17	be	be	AUX
eurjchem-1962	144	18	evaluated	evaluate	VERB
eurjchem-1962	144	19	.	.	PUNCT
eurjchem-1962	145	1	all	all	DET
eurjchem-1962	145	2	these	these	DET
eurjchem-1962	145	3	descriptors	descriptor	NOUN
eurjchem-1962	145	4	can	can	AUX
eurjchem-1962	145	5	easily	easily	ADV
eurjchem-1962	145	6	be	be	AUX
eurjchem-1962	145	7	predicted	predict	VERB
eurjchem-1962	145	8	by	by	ADP
eurjchem-1962	145	9	the	the	DET
eurjchem-1962	145	10	online	online	PROPN
eurjchem-1962	145	11	web	web	NOUN
eurjchem-1962	145	12	server	server	NOUN
eurjchem-1962	145	13	swissadme	swissadme	NOUN
eurjchem-1962	145	14	(	(	PUNCT
eurjchem-1962	145	15	http://www.swissadme.ch/	http://www.swissadme.ch/	X
eurjchem-1962	145	16	)	)	PUNCT
eurjchem-1962	146	1	[	[	X
eurjchem-1962	146	2	28	28	NUM
eurjchem-1962	146	3	]	]	PUNCT
eurjchem-1962	146	4	.	.	PUNCT
eurjchem-1962	147	1	this	this	PRON
eurjchem-1962	147	2	is	be	AUX
eurjchem-1962	147	3	a	a	DET
eurjchem-1962	147	4	free	free	ADJ
eurjchem-1962	147	5	web	web	NOUN
eurjchem-1962	147	6	tool	tool	NOUN
eurjchem-1962	147	7	which	which	PRON
eurjchem-1962	147	8	enables	enable	VERB
eurjchem-1962	147	9	the	the	DET
eurjchem-1962	147	10	computation	computation	NOUN
eurjchem-1962	147	11	of	of	ADP
eurjchem-1962	147	12	key	key	ADJ
eurjchem-1962	147	13	properties	property	NOUN
eurjchem-1962	147	14	such	such	ADJ
eurjchem-1962	147	15	as	as	ADP
eurjchem-1962	147	16	physicochemical	physicochemical	ADJ
eurjchem-1962	147	17	,	,	PUNCT
eurjchem-1962	147	18	pharmacokinetic	pharmacokinetic	ADJ
eurjchem-1962	147	19	,	,	PUNCT
eurjchem-1962	147	20	drug	drug	NOUN
eurjchem-1962	147	21	-	-	PUNCT
eurjchem-1962	147	22	like	like	ADJ
eurjchem-1962	147	23	and	and	CCONJ
eurjchem-1962	147	24	related	related	ADJ
eurjchem-1962	147	25	parameters	parameter	NOUN
eurjchem-1962	147	26	(	(	PUNCT
eurjchem-1962	147	27	permeability	permeability	NOUN
eurjchem-1962	147	28	,	,	PUNCT
eurjchem-1962	147	29	lipophilicity	lipophilicity	NOUN
eurjchem-1962	147	30	,	,	PUNCT
eurjchem-1962	147	31	solubility	solubility	NOUN
eurjchem-1962	147	32	,	,	PUNCT
eurjchem-1962	147	33	pka	pka	PROPN
eurjchem-1962	147	34	and	and	CCONJ
eurjchem-1962	147	35	absorption	absorption	NOUN
eurjchem-1962	147	36	)	)	PUNCT
eurjchem-1962	147	37	.	.	PUNCT
eurjchem-1962	148	1	based	base	VERB
eurjchem-1962	148	2	on	on	ADP
eurjchem-1962	148	3	the	the	DET
eurjchem-1962	148	4	results	result	NOUN
eurjchem-1962	148	5	obtained	obtain	VERB
eurjchem-1962	148	6	for	for	ADP
eurjchem-1962	148	7	each	each	DET
eurjchem-1962	148	8	molecule	molecule	NOUN
eurjchem-1962	148	9	,	,	PUNCT
eurjchem-1962	148	10	one	one	PRON
eurjchem-1962	148	11	can	can	AUX
eurjchem-1962	148	12	predict	predict	VERB
eurjchem-1962	148	13	the	the	DET
eurjchem-1962	148	14	bioavailability	bioavailability	NOUN
eurjchem-1962	148	15	,	,	PUNCT
eurjchem-1962	148	16	plasma	plasma	NOUN
eurjchem-1962	148	17	-	-	PUNCT
eurjchem-1962	148	18	protein	protein	NOUN
eurjchem-1962	148	19	binding	binding	NOUN
eurjchem-1962	148	20	,	,	PUNCT
eurjchem-1962	148	21	metabolism	metabolism	NOUN
eurjchem-1962	148	22	and	and	CCONJ
eurjchem-1962	148	23	drug	drug	NOUN
eurjchem-1962	148	24	-	-	PUNCT
eurjchem-1962	148	25	drug	drug	NOUN
eurjchem-1962	148	26	interaction	interaction	NOUN
eurjchem-1962	148	27	of	of	ADP
eurjchem-1962	148	28	a	a	DET
eurjchem-1962	148	29	likely	likely	ADJ
eurjchem-1962	148	30	drug	drug	NOUN
eurjchem-1962	148	31	candidate	candidate	NOUN
eurjchem-1962	148	32	of	of	ADP
eurjchem-1962	148	33	any	any	DET
eurjchem-1962	148	34	type	type	NOUN
eurjchem-1962	148	35	of	of	ADP
eurjchem-1962	148	36	small	small	ADJ
eurjchem-1962	148	37	molecules	molecule	NOUN
eurjchem-1962	148	38	that	that	PRON
eurjchem-1962	148	39	are	be	AUX
eurjchem-1962	148	40	synthesized	synthesize	VERB
eurjchem-1962	148	41	chemically	chemically	ADV
eurjchem-1962	148	42	or	or	CCONJ
eurjchem-1962	148	43	extracted	extract	VERB
eurjchem-1962	148	44	from	from	ADP
eurjchem-1962	148	45	any	any	DET
eurjchem-1962	148	46	natural	natural	ADJ
eurjchem-1962	148	47	product	product	NOUN
eurjchem-1962	148	48	source	source	NOUN
eurjchem-1962	148	49	.	.	PUNCT
eurjchem-1962	149	1	in	in	ADP
eurjchem-1962	149	2	the	the	DET
eurjchem-1962	149	3	present	present	ADJ
eurjchem-1962	149	4	example	example	NOUN
eurjchem-1962	149	5	,	,	PUNCT
eurjchem-1962	149	6	within	within	ADP
eurjchem-1962	149	7	this	this	DET
eurjchem-1962	149	8	filtration	filtration	NOUN
eurjchem-1962	149	9	criterion	criterion	NOUN
eurjchem-1962	149	10	,	,	PUNCT
eurjchem-1962	149	11	doxorubicin	doxorubicin	PROPN
eurjchem-1962	149	12	has	have	AUX
eurjchem-1962	149	13	been	be	AUX
eurjchem-1962	149	14	selected	select	VERB
eurjchem-1962	149	15	as	as	ADP
eurjchem-1962	149	16	a	a	DET
eurjchem-1962	149	17	drug	drug	NOUN
eurjchem-1962	149	18	candidate	candidate	NOUN
eurjchem-1962	149	19	for	for	ADP
eurjchem-1962	149	20	the	the	DET
eurjchem-1962	149	21	next	next	ADJ
eurjchem-1962	149	22	step	step	NOUN
eurjchem-1962	149	23	.	.	PUNCT
eurjchem-1962	150	1	the	the	DET
eurjchem-1962	150	2	admet	admet	PROPN
eurjchem-1962	150	3	results	result	NOUN
eurjchem-1962	150	4	of	of	ADP
eurjchem-1962	150	5	doxorubicin	doxorubicin	PROPN
eurjchem-1962	150	6	molecule	molecule	NOUN
eurjchem-1962	150	7	are	be	AUX
eurjchem-1962	150	8	shown	show	VERB
eurjchem-1962	150	9	in	in	ADP
eurjchem-1962	150	10	table	table	NOUN
eurjchem-1962	150	11	1	1	NUM
eurjchem-1962	150	12	.	.	X
eurjchem-1962	151	1	5.2	5.2	NUM
eurjchem-1962	151	2	.	.	PUNCT
eurjchem-1962	151	3	prediction	prediction	NOUN
eurjchem-1962	151	4	of	of	ADP
eurjchem-1962	151	5	oral	oral	ADJ
eurjchem-1962	151	6	toxicity	toxicity	NOUN
eurjchem-1962	151	7	of	of	ADP
eurjchem-1962	151	8	small	small	ADJ
eurjchem-1962	151	9	molecules	molecule	NOUN
eurjchem-1962	151	10	determining	determine	VERB
eurjchem-1962	151	11	the	the	DET
eurjchem-1962	151	12	toxicity	toxicity	NOUN
eurjchem-1962	151	13	of	of	ADP
eurjchem-1962	151	14	drug	drug	NOUN
eurjchem-1962	151	15	molecules	molecule	NOUN
eurjchem-1962	151	16	is	be	AUX
eurjchem-1962	151	17	necessary	necessary	ADJ
eurjchem-1962	151	18	to	to	PART
eurjchem-1962	151	19	identify	identify	VERB
eurjchem-1962	151	20	their	their	PRON
eurjchem-1962	151	21	harmful	harmful	ADJ
eurjchem-1962	151	22	effects	effect	NOUN
eurjchem-1962	151	23	on	on	ADP
eurjchem-1962	151	24	humans	human	NOUN
eurjchem-1962	151	25	,	,	PUNCT
eurjchem-1962	151	26	animals	animal	NOUN
eurjchem-1962	151	27	,	,	PUNCT
eurjchem-1962	151	28	plants	plant	NOUN
eurjchem-1962	151	29	,	,	PUNCT
eurjchem-1962	151	30	or	or	CCONJ
eurjchem-1962	151	31	the	the	DET
eurjchem-1962	151	32	environment	environment	NOUN
eurjchem-1962	151	33	.	.	PUNCT
eurjchem-1962	152	1	it	it	PRON
eurjchem-1962	152	2	is	be	AUX
eurjchem-1962	152	3	also	also	ADV
eurjchem-1962	152	4	one	one	NUM
eurjchem-1962	152	5	of	of	ADP
eurjchem-1962	152	6	the	the	DET
eurjchem-1962	152	7	main	main	ADJ
eurjchem-1962	152	8	decisive	decisive	ADJ
eurjchem-1962	152	9	factors	factor	NOUN
eurjchem-1962	152	10	in	in	ADP
eurjchem-1962	152	11	drug	drug	NOUN
eurjchem-1962	152	12	design	design	NOUN
eurjchem-1962	152	13	.	.	PUNCT
eurjchem-1962	153	1	protox	protox	PROPN
eurjchem-1962	153	2	-	-	PUNCT
eurjchem-1962	153	3	ii	ii	PROPN
eurjchem-1962	153	4	is	be	AUX
eurjchem-1962	153	5	a	a	DET
eurjchem-1962	153	6	free	free	ADJ
eurjchem-1962	153	7	web	web	NOUN
eurjchem-1962	153	8	server	server	NOUN
eurjchem-1962	153	9	to	to	PART
eurjchem-1962	153	10	predict	predict	VERB
eurjchem-1962	153	11	the	the	DET
eurjchem-1962	153	12	toxicity	toxicity	NOUN
eurjchem-1962	153	13	of	of	ADP
eurjchem-1962	153	14	any	any	DET
eurjchem-1962	153	15	small	small	ADJ
eurjchem-1962	153	16	molecule	molecule	NOUN
eurjchem-1962	153	17	or	or	CCONJ
eurjchem-1962	153	18	chemicals	chemical	NOUN
eurjchem-1962	153	19	by	by	ADP
eurjchem-1962	153	20	entering	enter	VERB
eurjchem-1962	153	21	the	the	DET
eurjchem-1962	153	22	pubchem	pubchem	NOUN
eurjchem-1962	153	23	name	name	NOUN
eurjchem-1962	153	24	or	or	CCONJ
eurjchem-1962	153	25	in	in	ADP
eurjchem-1962	153	26	canonical	canonical	ADJ
eurjchem-1962	153	27	smiles	smile	NOUN
eurjchem-1962	153	28	format	format	NOUN
eurjchem-1962	153	29	of	of	ADP
eurjchem-1962	153	30	the	the	DET
eurjchem-1962	153	31	molecule	molecule	NOUN
eurjchem-1962	153	32	.	.	PUNCT
eurjchem-1962	154	1	the	the	DET
eurjchem-1962	154	2	organ	organ	NOUN
eurjchem-1962	154	3	toxicity	toxicity	NOUN
eurjchem-1962	154	4	and	and	CCONJ
eurjchem-1962	154	5	toxicity	toxicity	NOUN
eurjchem-1962	154	6	endpoints	endpoint	NOUN
eurjchem-1962	154	7	such	such	ADJ
eurjchem-1962	154	8	as	as	ADP
eurjchem-1962	154	9	carcinogenicity	carcinogenicity	NOUN
eurjchem-1962	154	10	,	,	PUNCT
eurjchem-1962	154	11	immunotoxicity	immunotoxicity	NOUN
eurjchem-1962	154	12	,	,	PUNCT
eurjchem-1962	154	13	mutagenicity	mutagenicity	NOUN
eurjchem-1962	154	14	and	and	CCONJ
eurjchem-1962	154	15	cytotoxicity	cytotoxicity	NOUN
eurjchem-1962	154	16	of	of	ADP
eurjchem-1962	154	17	the	the	DET
eurjchem-1962	154	18	molecule	molecule	NOUN
eurjchem-1962	154	19	can	can	AUX
eurjchem-1962	154	20	be	be	AUX
eurjchem-1962	154	21	estimated	estimate	VERB
eurjchem-1962	154	22	by	by	ADP
eurjchem-1962	154	23	using	use	VERB
eurjchem-1962	154	24	the	the	DET
eurjchem-1962	154	25	online	online	ADJ
eurjchem-1962	154	26	tool	tool	NOUN
eurjchem-1962	154	27	(	(	PUNCT
eurjchem-1962	154	28	http://tox.charite	http://tox.charite	PROPN
eurjchem-1962	154	29	.	.	PUNCT
eurjchem-1962	155	1	de	de	X
eurjchem-1962	155	2	/	/	SYM
eurjchem-1962	155	3	protox_ii	protox_ii	ADJ
eurjchem-1962	155	4	/	/	SYM
eurjchem-1962	155	5	index.php?site	index.php?site	NOUN
eurjchem-1962	155	6	=	=	NOUN
eurjchem-1962	155	7	compound_input	compound_input	NOUN
eurjchem-1962	155	8	)	)	PUNCT
eurjchem-1962	156	1	[	[	X
eurjchem-1962	156	2	34	34	NUM
eurjchem-1962	156	3	]	]	PUNCT
eurjchem-1962	156	4	.	.	PUNCT
eurjchem-1962	157	1	computational	computational	ADJ
eurjchem-1962	157	2	prediction	prediction	NOUN
eurjchem-1962	157	3	of	of	ADP
eurjchem-1962	157	4	all	all	DET
eurjchem-1962	157	5	these	these	DET
eurjchem-1962	157	6	important	important	ADJ
eurjchem-1962	157	7	adverse	adverse	ADJ
eurjchem-1962	157	8	characteristics	characteristic	NOUN
eurjchem-1962	157	9	of	of	ADP
eurjchem-1962	157	10	a	a	DET
eurjchem-1962	157	11	molecule	molecule	NOUN
eurjchem-1962	157	12	is	be	AUX
eurjchem-1962	157	13	very	very	ADV
eurjchem-1962	157	14	critical	critical	ADJ
eurjchem-1962	157	15	in	in	ADP
eurjchem-1962	157	16	suggesting	suggest	VERB
eurjchem-1962	157	17	new	new	ADJ
eurjchem-1962	157	18	research	research	NOUN
eurjchem-1962	157	19	directions	direction	NOUN
eurjchem-1962	157	20	and	and	CCONJ
eurjchem-1962	157	21	provides	provide	VERB
eurjchem-1962	157	22	recommendations	recommendation	NOUN
eurjchem-1962	157	23	for	for	ADP
eurjchem-1962	157	24	designing	design	VERB
eurjchem-1962	157	25	novel	novel	NOUN
eurjchem-1962	157	26	in	in	ADP
eurjchem-1962	157	27	silico	silico	NOUN
eurjchem-1962	157	28	models	model	NOUN
eurjchem-1962	157	29	.	.	PUNCT
eurjchem-1962	158	1	-6	-6	INTJ
eurjchem-1962	158	2	-4	-4	INTJ
eurjchem-1962	159	1	-2	-2	INTJ
eurjchem-1962	159	2	0	0	NUM
eurjchem-1962	159	3	2	2	NUM
eurjchem-1962	159	4	4	4	NUM
eurjchem-1962	159	5	6	6	NUM
eurjchem-1962	159	6	8	8	NUM
eurjchem-1962	159	7	lo	lo	NOUN
eurjchem-1962	159	8	g	g	PROPN
eurjchem-1962	159	9	1/	1/	NUM
eurjchem-1962	159	10	c	c	NOUN
eurjchem-1962	159	11	log	log	NOUN
eurjchem-1962	159	12	p	p	PROPN
eurjchem-1962	159	13	log	log	NOUN
eurjchem-1962	159	14	po	po	INTJ
eurjchem-1962	159	15	poor	poor	ADJ
eurjchem-1962	159	16	aqueous	aqueous	ADJ
eurjchem-1962	159	17	solubility	solubility	NOUN
eurjchem-1962	159	18	poor	poor	ADJ
eurjchem-1962	159	19	lipid	lipid	NOUN
eurjchem-1962	159	20	bilayer	bilayer	NOUN
eurjchem-1962	159	21	permeability	permeability	NOUN
eurjchem-1962	159	22	optimal	optimal	ADJ
eurjchem-1962	159	23	range	range	NOUN
eurjchem-1962	159	24	0	0	PUNCT
eurjchem-1962	159	25	<	<	X
eurjchem-1962	159	26	log	log	NOUN
eurjchem-1962	159	27	p	p	X
eurjchem-1962	159	28	<	<	X
eurjchem-1962	159	29	3	3	NUM
eurjchem-1962	159	30	https://zinc.docking.org/substances/home/	https://zinc.docking.org/substances/home/	PROPN
eurjchem-1962	159	31	https://marvinjs-demo.chemaxon.com/latest/demo.html	https://marvinjs-demo.chemaxon.com/latest/demo.html	PUNCT
eurjchem-1962	159	32	http://www.swissadme.ch/	http://www.swissadme.ch/	VERB
eurjchem-1962	159	33	172	172	NUM
eurjchem-1962	159	34	kumar	kumar	PROPN
eurjchem-1962	159	35	et	et	PROPN
eurjchem-1962	159	36	al	al	PROPN
eurjchem-1962	159	37	.	.	PUNCT
eurjchem-1962	159	38	/	/	SYM
eurjchem-1962	159	39	european	european	PROPN
eurjchem-1962	159	40	journal	journal	PROPN
eurjchem-1962	159	41	of	of	ADP
eurjchem-1962	159	42	chemistry	chemistry	NOUN
eurjchem-1962	159	43	11	11	NUM
eurjchem-1962	159	44	(	(	PUNCT
eurjchem-1962	159	45	2	2	NUM
eurjchem-1962	159	46	)	)	PUNCT
eurjchem-1962	159	47	(	(	PUNCT
eurjchem-1962	159	48	2020	2020	NUM
eurjchem-1962	159	49	)	)	PUNCT
eurjchem-1962	159	50	168	168	NUM
eurjchem-1962	159	51	-	-	SYM
eurjchem-1962	159	52	178	178	NUM
eurjchem-1962	159	53	2020	2020	NUM
eurjchem-1962	159	54	–	–	PUNCT
eurjchem-1962	159	55	european	european	ADJ
eurjchem-1962	159	56	journal	journal	NOUN
eurjchem-1962	159	57	of	of	ADP
eurjchem-1962	159	58	chemistry	chemistry	NOUN
eurjchem-1962	159	59	–	–	PUNCT
eurjchem-1962	159	60	cc	cc	NOUN
eurjchem-1962	159	61	by	by	ADP
eurjchem-1962	159	62	nc	nc	PROPN
eurjchem-1962	159	63	–	–	PUNCT
eurjchem-1962	159	64	doi	doi	NOUN
eurjchem-1962	159	65	:	:	PUNCT
eurjchem-1962	159	66	10.5155	10.5155	NUM
eurjchem-1962	159	67	/	/	SYM
eurjchem-1962	159	68	eurjchem.11.2.168	eurjchem.11.2.168	NOUN
eurjchem-1962	159	69	-	-	PUNCT
eurjchem-1962	159	70	178.1962	178.1962	NUM
eurjchem-1962	159	71	table	table	NOUN
eurjchem-1962	159	72	1	1	NUM
eurjchem-1962	159	73	.	.	PUNCT
eurjchem-1962	160	1	in	in	ADP
eurjchem-1962	160	2	silico	silico	NOUN
eurjchem-1962	160	3	admet	admet	NOUN
eurjchem-1962	160	4	prediction	prediction	NOUN
eurjchem-1962	160	5	of	of	ADP
eurjchem-1962	160	6	doxorubicin	doxorubicin	PROPN
eurjchem-1962	160	7	by	by	ADP
eurjchem-1962	160	8	using	use	VERB
eurjchem-1962	160	9	six	six	NUM
eurjchem-1962	160	10	different	different	ADJ
eurjchem-1962	160	11	online	online	ADJ
eurjchem-1962	160	12	tools	tool	NOUN
eurjchem-1962	160	13	*	*	PUNCT
eurjchem-1962	160	14	.	.	PUNCT
eurjchem-1962	161	1	admet	admet	PROPN
eurjchem-1962	161	2	profile	profile	NOUN
eurjchem-1962	161	3	of	of	ADP
eurjchem-1962	161	4	the	the	DET
eurjchem-1962	161	5	doxorubicin	doxorubicin	PROPN
eurjchem-1962	161	6	using	use	VERB
eurjchem-1962	161	7	different	different	ADJ
eurjchem-1962	161	8	type	type	NOUN
eurjchem-1962	161	9	of	of	ADP
eurjchem-1962	161	10	web	web	NOUN
eurjchem-1962	161	11	tools	tool	NOUN
eurjchem-1962	161	12	web	web	NOUN
eurjchem-1962	161	13	servers	server	NOUN
eurjchem-1962	161	14	/	/	SYM
eurjchem-1962	161	15	url	url	X
eurjchem-1962	161	16	hia	hia	PROPN
eurjchem-1962	161	17	(	(	PUNCT
eurjchem-1962	161	18	probability	probability	NOUN
eurjchem-1962	161	19	)	)	PUNCT
eurjchem-1962	161	20	bbb	bbb	NOUN
eurjchem-1962	161	21	cyp	cyp	ADJ
eurjchem-1962	161	22	inhibition/	inhibition/	NUM
eurjchem-1962	161	23	substrate	substrate	NOUN
eurjchem-1962	161	24	ames	ame	NOUN
eurjchem-1962	161	25	toxicity	toxicity	NOUN
eurjchem-1962	161	26	carcinogenicity	carcinogenicity	NOUN
eurjchem-1962	161	27	ld50	ld50	PROPN
eurjchem-1962	161	28	in	in	ADP
eurjchem-1962	161	29	rat	rat	NOUN
eurjchem-1962	161	30	(	(	PUNCT
eurjchem-1962	161	31	mol	mol	PROPN
eurjchem-1962	161	32	/	/	SYM
eurjchem-1962	161	33	kg	kg	NOUN
eurjchem-1962	161	34	)	)	PUNCT
eurjchem-1962	161	35	admetsar	admetsar	ADJ
eurjchem-1962	161	36	[	[	X
eurjchem-1962	161	37	29	29	NUM
eurjchem-1962	161	38	]	]	PUNCT
eurjchem-1962	161	39	(	(	PUNCT
eurjchem-1962	161	40	http://lmmd.ecust.edu.cn	http://lmmd.ecust.edu.cn	NOUN
eurjchem-1962	161	41	)	)	PUNCT
eurjchem-1962	161	42	substrate	substrate	NOUN
eurjchem-1962	161	43	ames	ame	NOUN
eurjchem-1962	161	44	toxic	toxic	ADJ
eurjchem-1962	161	45	non	non	ADJ
eurjchem-1962	161	46	-	-	ADJ
eurjchem-1962	161	47	carcinogen	carcinogen	ADJ
eurjchem-1962	161	48	2.6644	2.6644	NUM
eurjchem-1962	161	49	swiss	swiss	ADJ
eurjchem-1962	161	50	adme	adme	NOUN
eurjchem-1962	161	51	(	(	PUNCT
eurjchem-1962	161	52	http://www.swissadme.ch/	http://www.swissadme.ch/	X
eurjchem-1962	161	53	)	)	PUNCT
eurjchem-1962	161	54	low	low	ADJ
eurjchem-1962	161	55	no	no	DET
eurjchem-1962	161	56	substrate	substrate	NOUN
eurjchem-1962	161	57	scbdd.com	scbdd.com	X
eurjchem-1962	161	58	[	[	X
eurjchem-1962	161	59	30	30	NUM
eurjchem-1962	161	60	]	]	X
eurjchem-1962	161	61	(	(	PUNCT
eurjchem-1962	161	62	http://admet.scbdd.com/	http://admet.scbdd.com/	NOUN
eurjchem-1962	161	63	)	)	PUNCT
eurjchem-1962	161	64	0.019	0.019	NUM
eurjchem-1962	161	65	0.015	0.015	NUM
eurjchem-1962	161	66	substrate	substrate	NOUN
eurjchem-1962	161	67	0.866	0.866	NUM
eurjchem-1962	161	68	3.224	3.224	NUM
eurjchem-1962	161	69	pkcsm	pkcsm	NOUN
eurjchem-1962	161	70	[	[	X
eurjchem-1962	161	71	31	31	NUM
eurjchem-1962	161	72	]	]	PUNCT
eurjchem-1962	161	73	(	(	PUNCT
eurjchem-1962	161	74	http://biosig.unimelb.edu.au/pkcsm/prediction	http://biosig.unimelb.edu.au/pkcsm/prediction	NOUN
eurjchem-1962	161	75	)	)	PUNCT
eurjchem-1962	161	76	49.703	49.703	NUM
eurjchem-1962	161	77	-1.688	-1.688	NUM
eurjchem-1962	161	78	no	no	DET
eurjchem-1962	161	79	2.698	2.698	NUM
eurjchem-1962	161	80	vnn	vnn	NOUN
eurjchem-1962	161	81	-	-	PUNCT
eurjchem-1962	161	82	admet	admet	NOUN
eurjchem-1962	161	83	[	[	X
eurjchem-1962	161	84	32	32	NUM
eurjchem-1962	161	85	]	]	PUNCT
eurjchem-1962	161	86	(	(	PUNCT
eurjchem-1962	161	87	https://vnnadmet.bhsai.org/vnnadmet/login.xhtml	https://vnnadmet.bhsai.org/vnnadmet/login.xhtml	PROPN
eurjchem-1962	161	88	)	)	PUNCT
eurjchem-1962	161	89	substrate	substrate	NOUN
eurjchem-1962	161	90	yes	yes	INTJ
eurjchem-1962	161	91	preadmet	preadmet	NOUN
eurjchem-1962	162	1	[	[	X
eurjchem-1962	162	2	33	33	NUM
eurjchem-1962	162	3	]	]	X
eurjchem-1962	162	4	(	(	PUNCT
eurjchem-1962	162	5	https://preadmet.bmdrc.kr/	https://preadmet.bmdrc.kr/	PROPN
eurjchem-1962	162	6	)	)	PUNCT
eurjchem-1962	162	7	31.952	31.952	NUM
eurjchem-1962	162	8	0.032	0.032	NUM
eurjchem-1962	162	9	weak	weak	ADJ
eurjchem-1962	162	10	substrate	substrate	NOUN
eurjchem-1962	162	11	non	non	ADJ
eurjchem-1962	162	12	-	-	ADJ
eurjchem-1962	162	13	mutagen	mutagen	ADJ
eurjchem-1962	162	14	negative	negative	ADJ
eurjchem-1962	162	15	128	128	NUM
eurjchem-1962	162	16	*	*	PUNCT
eurjchem-1962	162	17	hia	hia	PROPN
eurjchem-1962	162	18	:	:	PUNCT
eurjchem-1962	162	19	human	human	ADJ
eurjchem-1962	162	20	intestinal	intestinal	ADJ
eurjchem-1962	162	21	absorption	absorption	NOUN
eurjchem-1962	162	22	;	;	PUNCT
eurjchem-1962	162	23	bbb	bbb	NUM
eurjchem-1962	162	24	:	:	PUNCT
eurjchem-1962	162	25	the	the	DET
eurjchem-1962	162	26	blood	blood	NOUN
eurjchem-1962	162	27	-	-	PUNCT
eurjchem-1962	162	28	brain	brain	NOUN
eurjchem-1962	162	29	barrier	barrier	NOUN
eurjchem-1962	162	30	;	;	PUNCT
eurjchem-1962	162	31	cyp	cyp	ADJ
eurjchem-1962	162	32	:	:	PUNCT
eurjchem-1962	162	33	cytochrome	cytochrome	NOUN
eurjchem-1962	162	34	p450	p450	NUM
eurjchem-1962	162	35	;	;	PUNCT
eurjchem-1962	162	36	ames	ame	NOUN
eurjchem-1962	162	37	:	:	PUNCT
eurjchem-1962	162	38	mutagenic	mutagenic	ADJ
eurjchem-1962	162	39	effect	effect	NOUN
eurjchem-1962	162	40	;	;	PUNCT
eurjchem-1962	162	41	ld50	ld50	PROPN
eurjchem-1962	162	42	:	:	PUNCT
eurjchem-1962	162	43	median	median	ADJ
eurjchem-1962	162	44	lethal	lethal	ADJ
eurjchem-1962	162	45	dose	dose	NOUN
eurjchem-1962	162	46	.	.	PUNCT
eurjchem-1962	163	1	(	(	PUNCT
eurjchem-1962	163	2	a	a	X
eurjchem-1962	163	3	)	)	PUNCT
eurjchem-1962	163	4	(	(	PUNCT
eurjchem-1962	163	5	b	b	X
eurjchem-1962	163	6	)	)	PUNCT
eurjchem-1962	163	7	(	(	PUNCT
eurjchem-1962	163	8	c	c	X
eurjchem-1962	163	9	)	)	PUNCT
eurjchem-1962	163	10	figure	figure	NOUN
eurjchem-1962	163	11	4	4	NUM
eurjchem-1962	163	12	.	.	PUNCT
eurjchem-1962	164	1	structure	structure	NOUN
eurjchem-1962	164	2	of	of	ADP
eurjchem-1962	164	3	doxorubicin	doxorubicin	PROPN
eurjchem-1962	164	4	as	as	ADP
eurjchem-1962	164	5	a	a	DET
eurjchem-1962	164	6	model	model	NOUN
eurjchem-1962	164	7	ligand	ligand	NOUN
eurjchem-1962	164	8	(	(	PUNCT
eurjchem-1962	164	9	a	a	NOUN
eurjchem-1962	164	10	)	)	PUNCT
eurjchem-1962	164	11	.	.	PUNCT
eurjchem-1962	165	1	the	the	DET
eurjchem-1962	165	2	images	image	NOUN
eurjchem-1962	165	3	(	(	PUNCT
eurjchem-1962	165	4	b	b	NOUN
eurjchem-1962	165	5	)	)	PUNCT
eurjchem-1962	165	6	and	and	CCONJ
eurjchem-1962	165	7	(	(	PUNCT
eurjchem-1962	165	8	c	c	X
eurjchem-1962	165	9	)	)	PUNCT
eurjchem-1962	165	10	are	be	AUX
eurjchem-1962	165	11	the	the	DET
eurjchem-1962	165	12	three	three	NUM
eurjchem-1962	165	13	-	-	PUNCT
eurjchem-1962	165	14	dimensional	dimensional	ADJ
eurjchem-1962	165	15	images	image	NOUN
eurjchem-1962	165	16	of	of	ADP
eurjchem-1962	165	17	doxorubicin	doxorubicin	PROPN
eurjchem-1962	165	18	shown	show	VERB
eurjchem-1962	165	19	with	with	ADP
eurjchem-1962	165	20	its	its	PRON
eurjchem-1962	165	21	charge	charge	NOUN
eurjchem-1962	165	22	and	and	CCONJ
eurjchem-1962	165	23	polarity	polarity	NOUN
eurjchem-1962	165	24	.	.	PUNCT
eurjchem-1962	166	1	5.3	5.3	NUM
eurjchem-1962	166	2	.	.	PUNCT
eurjchem-1962	166	3	calculation	calculation	NOUN
eurjchem-1962	166	4	of	of	ADP
eurjchem-1962	166	5	molecular	molecular	ADJ
eurjchem-1962	166	6	properties	property	NOUN
eurjchem-1962	166	7	of	of	ADP
eurjchem-1962	166	8	doxorubicin	doxorubicin	PROPN
eurjchem-1962	166	9	in	in	ADP
eurjchem-1962	166	10	the	the	DET
eurjchem-1962	166	11	present	present	ADJ
eurjchem-1962	166	12	model	model	NOUN
eurjchem-1962	166	13	,	,	PUNCT
eurjchem-1962	166	14	doxorubicin	doxorubicin	PROPN
eurjchem-1962	166	15	as	as	SCONJ
eurjchem-1962	166	16	the	the	DET
eurjchem-1962	166	17	ligand	ligand	ADJ
eurjchem-1962	166	18	molecule	molecule	NOUN
eurjchem-1962	166	19	has	have	AUX
eurjchem-1962	166	20	been	be	AUX
eurjchem-1962	166	21	subjected	subject	VERB
eurjchem-1962	166	22	to	to	ADP
eurjchem-1962	166	23	molecular	molecular	ADJ
eurjchem-1962	166	24	properties	property	NOUN
eurjchem-1962	166	25	prediction	prediction	NOUN
eurjchem-1962	166	26	using	use	VERB
eurjchem-1962	166	27	seven	seven	NUM
eurjchem-1962	166	28	different	different	ADJ
eurjchem-1962	166	29	freely	freely	ADV
eurjchem-1962	166	30	accessible	accessible	ADJ
eurjchem-1962	166	31	online	online	ADJ
eurjchem-1962	166	32	tools	tool	NOUN
eurjchem-1962	166	33	to	to	PART
eurjchem-1962	166	34	evaluate	evaluate	VERB
eurjchem-1962	166	35	its	its	PRON
eurjchem-1962	166	36	drug	drug	NOUN
eurjchem-1962	166	37	-	-	PUNCT
eurjchem-1962	166	38	likeness	likeness	NOUN
eurjchem-1962	166	39	.	.	PUNCT
eurjchem-1962	167	1	the	the	DET
eurjchem-1962	167	2	online	online	ADJ
eurjchem-1962	167	3	tools	tool	NOUN
eurjchem-1962	167	4	used	use	VERB
eurjchem-1962	167	5	are	be	AUX
eurjchem-1962	167	6	molinspiration	molinspiration	NOUN
eurjchem-1962	167	7	,	,	PUNCT
eurjchem-1962	167	8	molview	molview	NOUN
eurjchem-1962	167	9	,	,	PUNCT
eurjchem-1962	167	10	mcule.com	mcule.com	X
eurjchem-1962	167	11	,	,	PUNCT
eurjchem-1962	167	12	swissadme	swissadme	NOUN
eurjchem-1962	167	13	,	,	PUNCT
eurjchem-1962	167	14	protox	protox	NOUN
eurjchem-1962	167	15	,	,	PUNCT
eurjchem-1962	167	16	zinc	zinc	NOUN
eurjchem-1962	167	17	and	and	CCONJ
eurjchem-1962	167	18	drugbank	drugbank	NOUN
eurjchem-1962	167	19	[	[	X
eurjchem-1962	167	20	35	35	NUM
eurjchem-1962	167	21	]	]	PUNCT
eurjchem-1962	167	22	.	.	PUNCT
eurjchem-1962	168	1	all	all	DET
eurjchem-1962	168	2	these	these	DET
eurjchem-1962	168	3	seven	seven	NUM
eurjchem-1962	168	4	tools	tool	NOUN
eurjchem-1962	168	5	gave	give	VERB
eurjchem-1962	168	6	similar	similar	ADJ
eurjchem-1962	168	7	results	result	NOUN
eurjchem-1962	168	8	and	and	CCONJ
eurjchem-1962	168	9	among	among	ADP
eurjchem-1962	168	10	these	these	PRON
eurjchem-1962	168	11	,	,	PUNCT
eurjchem-1962	168	12	six	six	NUM
eurjchem-1962	168	13	of	of	ADP
eurjchem-1962	168	14	them	they	PRON
eurjchem-1962	168	15	gave	give	VERB
eurjchem-1962	168	16	highly	highly	ADV
eurjchem-1962	168	17	comparable	comparable	ADJ
eurjchem-1962	168	18	output	output	NOUN
eurjchem-1962	168	19	data	datum	NOUN
eurjchem-1962	168	20	as	as	SCONJ
eurjchem-1962	168	21	shown	show	VERB
eurjchem-1962	168	22	in	in	ADP
eurjchem-1962	168	23	table	table	NOUN
eurjchem-1962	168	24	2	2	NUM
eurjchem-1962	168	25	.	.	NOUN
eurjchem-1962	168	26	5.4	5.4	NUM
eurjchem-1962	168	27	.	.	PUNCT
eurjchem-1962	169	1	cyp	cyp	ADJ
eurjchem-1962	169	2	inhibition	inhibition	NOUN
eurjchem-1962	169	3	the	the	DET
eurjchem-1962	169	4	kinetic	kinetic	ADJ
eurjchem-1962	169	5	profile	profile	NOUN
eurjchem-1962	169	6	of	of	ADP
eurjchem-1962	169	7	a	a	DET
eurjchem-1962	169	8	molecule	molecule	NOUN
eurjchem-1962	169	9	indicates	indicate	VERB
eurjchem-1962	169	10	the	the	DET
eurjchem-1962	169	11	extent	extent	NOUN
eurjchem-1962	169	12	of	of	ADP
eurjchem-1962	169	13	binding	bind	VERB
eurjchem-1962	169	14	interaction	interaction	NOUN
eurjchem-1962	169	15	between	between	ADP
eurjchem-1962	169	16	the	the	DET
eurjchem-1962	169	17	compound	compound	NOUN
eurjchem-1962	169	18	and	and	CCONJ
eurjchem-1962	169	19	its	its	PRON
eurjchem-1962	169	20	target	target	NOUN
eurjchem-1962	169	21	as	as	ADV
eurjchem-1962	169	22	well	well	ADV
eurjchem-1962	169	23	as	as	ADP
eurjchem-1962	169	24	rate	rate	NOUN
eurjchem-1962	169	25	of	of	ADP
eurjchem-1962	169	26	binding	bind	VERB
eurjchem-1962	169	27	and	and	CCONJ
eurjchem-1962	169	28	dissociation	dissociation	NOUN
eurjchem-1962	169	29	from	from	ADP
eurjchem-1962	169	30	the	the	DET
eurjchem-1962	169	31	target	target	NOUN
eurjchem-1962	169	32	.	.	PUNCT
eurjchem-1962	170	1	the	the	DET
eurjchem-1962	170	2	tools	tool	NOUN
eurjchem-1962	170	3	also	also	ADV
eurjchem-1962	170	4	estimate	estimate	VERB
eurjchem-1962	170	5	or	or	CCONJ
eurjchem-1962	170	6	predict	predict	VERB
eurjchem-1962	170	7	the	the	DET
eurjchem-1962	170	8	metabolism	metabolism	NOUN
eurjchem-1962	170	9	property	property	NOUN
eurjchem-1962	170	10	of	of	ADP
eurjchem-1962	170	11	cytochromes	cytochrome	NOUN
eurjchem-1962	170	12	p450	p450	PROPN
eurjchem-1962	170	13	(	(	PUNCT
eurjchem-1962	170	14	cyps	cyps	PROPN
eurjchem-1962	170	15	)	)	PUNCT
eurjchem-1962	170	16	and	and	CCONJ
eurjchem-1962	170	17	amongst	amongst	ADP
eurjchem-1962	170	18	these	these	PRON
eurjchem-1962	170	19	,	,	PUNCT
eurjchem-1962	170	20	the	the	DET
eurjchem-1962	170	21	three	three	NUM
eurjchem-1962	170	22	isoforms	isoform	NOUN
eurjchem-1962	170	23	(	(	PUNCT
eurjchem-1962	170	24	2c9	2c9	NUM
eurjchem-1962	170	25	,	,	PUNCT
eurjchem-1962	170	26	2d6	2d6	NUM
eurjchem-1962	170	27	,	,	PUNCT
eurjchem-1962	170	28	and	and	CCONJ
eurjchem-1962	170	29	3a4	3a4	NUM
eurjchem-1962	170	30	)	)	PUNCT
eurjchem-1962	170	31	,	,	PUNCT
eurjchem-1962	170	32	that	that	PRON
eurjchem-1962	170	33	are	be	AUX
eurjchem-1962	170	34	mainly	mainly	ADV
eurjchem-1962	170	35	expressed	express	VERB
eurjchem-1962	170	36	in	in	ADP
eurjchem-1962	170	37	the	the	DET
eurjchem-1962	170	38	gut	gut	NOUN
eurjchem-1962	170	39	and	and	CCONJ
eurjchem-1962	170	40	liver	liver	NOUN
eurjchem-1962	170	41	[	[	X
eurjchem-1962	170	42	36	36	NUM
eurjchem-1962	170	43	]	]	PUNCT
eurjchem-1962	170	44	.	.	PUNCT
eurjchem-1962	171	1	http://lmmd.ecust.edu.cn/	http://lmmd.ecust.edu.cn/	ADJ
eurjchem-1962	171	2	http://www.swissadme.ch/	http://www.swissadme.ch/	ADJ
eurjchem-1962	171	3	http://admet.scbdd.com/	http://admet.scbdd.com/	NOUN
eurjchem-1962	171	4	http://biosig.unimelb.edu.au/pkcsm/prediction	http://biosig.unimelb.edu.au/pkcsm/prediction	NOUN
eurjchem-1962	171	5	https://vnnadmet.bhsai.org/vnnadmet/login.xhtml	https://vnnadmet.bhsai.org/vnnadmet/login.xhtml	PROPN
eurjchem-1962	171	6	https://preadmet.bmdrc.kr/	https://preadmet.bmdrc.kr/	PROPN
eurjchem-1962	171	7	kumar	kumar	PROPN
eurjchem-1962	171	8	et	et	PROPN
eurjchem-1962	171	9	al	al	PROPN
eurjchem-1962	171	10	.	.	PUNCT
eurjchem-1962	171	11	/	/	SYM
eurjchem-1962	171	12	european	european	PROPN
eurjchem-1962	171	13	journal	journal	PROPN
eurjchem-1962	171	14	of	of	ADP
eurjchem-1962	171	15	chemistry	chemistry	NOUN
eurjchem-1962	171	16	11	11	NUM
eurjchem-1962	171	17	(	(	PUNCT
eurjchem-1962	171	18	2	2	NUM
eurjchem-1962	171	19	)	)	PUNCT
eurjchem-1962	171	20	(	(	PUNCT
eurjchem-1962	171	21	2020	2020	NUM
eurjchem-1962	171	22	)	)	PUNCT
eurjchem-1962	171	23	168	168	NUM
eurjchem-1962	171	24	-	-	SYM
eurjchem-1962	171	25	178	178	NUM
eurjchem-1962	171	26	173	173	NUM
eurjchem-1962	171	27	2020	2020	NUM
eurjchem-1962	171	28	–	–	PUNCT
eurjchem-1962	171	29	european	european	ADJ
eurjchem-1962	171	30	journal	journal	NOUN
eurjchem-1962	171	31	of	of	ADP
eurjchem-1962	171	32	chemistry	chemistry	NOUN
eurjchem-1962	171	33	–	–	PUNCT
eurjchem-1962	171	34	cc	cc	NOUN
eurjchem-1962	171	35	by	by	ADP
eurjchem-1962	171	36	nc	nc	PROPN
eurjchem-1962	171	37	–	–	PUNCT
eurjchem-1962	171	38	doi	doi	NOUN
eurjchem-1962	171	39	:	:	PUNCT
eurjchem-1962	171	40	10.5155	10.5155	NUM
eurjchem-1962	171	41	/	/	SYM
eurjchem-1962	171	42	eurjchem.11.2.168	eurjchem.11.2.168	NOUN
eurjchem-1962	171	43	-	-	PUNCT
eurjchem-1962	171	44	178.1962	178.1962	NUM
eurjchem-1962	171	45	table	table	NOUN
eurjchem-1962	171	46	2	2	NUM
eurjchem-1962	171	47	.	.	X
eurjchem-1962	172	1	molecular	molecular	ADJ
eurjchem-1962	172	2	property	property	NOUN
eurjchem-1962	172	3	predictions	prediction	NOUN
eurjchem-1962	172	4	of	of	ADP
eurjchem-1962	172	5	doxorubicin	doxorubicin	PROPN
eurjchem-1962	172	6	using	use	VERB
eurjchem-1962	172	7	online	online	ADV
eurjchem-1962	172	8	in	in	ADP
eurjchem-1962	172	9	silico	silico	NOUN
eurjchem-1962	172	10	tools	tool	NOUN
eurjchem-1962	172	11	.	.	PUNCT
eurjchem-1962	173	1	types	type	NOUN
eurjchem-1962	173	2	of	of	ADP
eurjchem-1962	173	3	web	web	NOUN
eurjchem-1962	173	4	servers	server	NOUN
eurjchem-1962	173	5	/	/	SYM
eurjchem-1962	173	6	tools	tool	NOUN
eurjchem-1962	173	7	x	x	PUNCT
eurjchem-1962	173	8	log	log	VERB
eurjchem-1962	173	9	p	p	NOUN
eurjchem-1962	173	10	h	h	NOUN
eurjchem-1962	173	11	bond	bond	NOUN
eurjchem-1962	173	12	donors	donor	NOUN
eurjchem-1962	173	13	h	h	NOUN
eurjchem-1962	173	14	bond	bond	NOUN
eurjchem-1962	173	15	acceptor	acceptor	NOUN
eurjchem-1962	173	16	tpsa	tpsa	NOUN
eurjchem-1962	173	17	mw	mw	X
eurjchem-1962	173	18	rotatable	rotatable	ADJ
eurjchem-1962	173	19	bonds	bond	NOUN
eurjchem-1962	173	20	zinc	zinc	NOUN
eurjchem-1962	173	21	0.57	0.57	NUM
eurjchem-1962	173	22	8	8	NUM
eurjchem-1962	173	23	12	12	NUM
eurjchem-1962	173	24	208.00	208.00	NUM
eurjchem-1962	173	25	544.533	544.533	NUM
eurjchem-1962	173	26	5	5	NUM
eurjchem-1962	173	27	molinspiration	molinspiration	NOUN
eurjchem-1962	173	28	0.57	0.57	NUM
eurjchem-1962	173	29	206.08	206.08	NUM
eurjchem-1962	173	30	543.520	543.520	NUM
eurjchem-1962	173	31	5	5	NUM
eurjchem-1962	173	32	swissadme	swissadme	NOUN
eurjchem-1962	173	33	1.27	1.27	NUM
eurjchem-1962	173	34	6	6	NUM
eurjchem-1962	173	35	12	12	NUM
eurjchem-1962	173	36	206.70	206.70	NUM
eurjchem-1962	173	37	543.520	543.520	NUM
eurjchem-1962	173	38	5	5	NUM
eurjchem-1962	173	39	molview	molview	NOUN
eurjchem-1962	173	40	6	6	NUM
eurjchem-1962	173	41	12	12	NUM
eurjchem-1962	173	42	543.525	543.525	NUM
eurjchem-1962	173	43	drugbank	drugbank	NOUN
eurjchem-1962	173	44	0.92	0.92	NUM
eurjchem-1962	173	45	6	6	NUM
eurjchem-1962	173	46	12	12	NUM
eurjchem-1962	173	47	206.00	206.00	NUM
eurjchem-1962	173	48	5	5	NUM
eurjchem-1962	173	49	mcule.com	mcule.com	X
eurjchem-1962	173	50	(	(	PUNCT
eurjchem-1962	173	51	https://mcule.com/apps/property-calculator/	https://mcule.com/apps/property-calculator/	PROPN
eurjchem-1962	173	52	)	)	PUNCT
eurjchem-1962	173	53	0.70	0.70	NUM
eurjchem-1962	173	54	6	6	NUM
eurjchem-1962	173	55	12	12	NUM
eurjchem-1962	173	56	206.07	206.07	NUM
eurjchem-1962	173	57	543.510	543.510	NUM
eurjchem-1962	173	58	5	5	NUM
eurjchem-1962	173	59	protox	protox	NOUN
eurjchem-1962	173	60	(	(	PUNCT
eurjchem-1962	173	61	http://tox.charite.de/protox_ii/index.php?site=home	http://tox.charite.de/protox_ii/index.php?site=home	PROPN
eurjchem-1962	173	62	)	)	PUNCT
eurjchem-1962	173	63	0	0	NUM
eurjchem-1962	174	1	12	12	NUM
eurjchem-1962	174	2	206.07	206.07	NUM
eurjchem-1962	174	3	543.520	543.520	NUM
eurjchem-1962	174	4	5	5	NUM
eurjchem-1962	174	5	figure	figure	NOUN
eurjchem-1962	174	6	5	5	NUM
eurjchem-1962	174	7	.	.	PUNCT
eurjchem-1962	174	8	prediction	prediction	NOUN
eurjchem-1962	174	9	of	of	ADP
eurjchem-1962	174	10	top	top	ADJ
eurjchem-1962	174	11	three	three	NUM
eurjchem-1962	174	12	best	well	ADV
eurjchem-1962	174	13	ranking	ranking	ADJ
eurjchem-1962	174	14	atoms	atom	NOUN
eurjchem-1962	174	15	of	of	ADP
eurjchem-1962	174	16	doxorubicin	doxorubicin	PROPN
eurjchem-1962	174	17	involved	involve	VERB
eurjchem-1962	174	18	in	in	ADP
eurjchem-1962	174	19	the	the	DET
eurjchem-1962	174	20	cyp	cyp	ADJ
eurjchem-1962	174	21	inhibition	inhibition	NOUN
eurjchem-1962	174	22	by	by	ADP
eurjchem-1962	174	23	using	use	VERB
eurjchem-1962	174	24	smartcyp	smartcyp	ADJ
eurjchem-1962	174	25	online	online	ADJ
eurjchem-1962	174	26	tool	tool	NOUN
eurjchem-1962	174	27	.	.	PUNCT
eurjchem-1962	175	1	(	(	PUNCT
eurjchem-1962	175	2	a	a	X
eurjchem-1962	175	3	)	)	PUNCT
eurjchem-1962	175	4	predicted	predict	VERB
eurjchem-1962	175	5	smartcyp	smartcyp	ADJ
eurjchem-1962	175	6	score	score	NOUN
eurjchem-1962	175	7	of	of	ADP
eurjchem-1962	175	8	the	the	DET
eurjchem-1962	175	9	enzyme	enzyme	NOUN
eurjchem-1962	175	10	3a4	3a4	NUM
eurjchem-1962	175	11	,	,	PUNCT
eurjchem-1962	175	12	(	(	PUNCT
eurjchem-1962	175	13	b	b	NOUN
eurjchem-1962	175	14	)	)	PUNCT
eurjchem-1962	175	15	predicted	predict	VERB
eurjchem-1962	175	16	smartcyp	smartcyp	ADJ
eurjchem-1962	175	17	score	score	NOUN
eurjchem-1962	175	18	of	of	ADP
eurjchem-1962	175	19	the	the	DET
eurjchem-1962	175	20	enzyme	enzyme	NOUN
eurjchem-1962	175	21	2c9	2c9	NUM
eurjchem-1962	175	22	and	and	CCONJ
eurjchem-1962	175	23	(	(	PUNCT
eurjchem-1962	175	24	c	c	NOUN
eurjchem-1962	175	25	)	)	PUNCT
eurjchem-1962	175	26	predicted	predict	VERB
eurjchem-1962	175	27	smartcyp	smartcyp	ADJ
eurjchem-1962	175	28	score	score	NOUN
eurjchem-1962	175	29	of	of	ADP
eurjchem-1962	175	30	the	the	DET
eurjchem-1962	175	31	enzyme	enzyme	NOUN
eurjchem-1962	175	32	2d6	2d6	NUM
eurjchem-1962	175	33	.	.	PUNCT
eurjchem-1962	176	1	in	in	ADP
eurjchem-1962	176	2	this	this	DET
eurjchem-1962	176	3	context	context	NOUN
eurjchem-1962	176	4	,	,	PUNCT
eurjchem-1962	176	5	a	a	DET
eurjchem-1962	176	6	publicly	publicly	ADV
eurjchem-1962	176	7	available	available	ADJ
eurjchem-1962	176	8	web	web	NOUN
eurjchem-1962	176	9	server	server	NOUN
eurjchem-1962	176	10	smartcyp	smartcyp	NOUN
eurjchem-1962	176	11	(	(	PUNCT
eurjchem-1962	176	12	https://smartcyp.sund.ku.dk/mol_to_som	https://smartcyp.sund.ku.dk/mol_to_som	CCONJ
eurjchem-1962	176	13	)	)	PUNCT
eurjchem-1962	176	14	can	can	AUX
eurjchem-1962	176	15	help	help	VERB
eurjchem-1962	176	16	the	the	DET
eurjchem-1962	176	17	researchers	researcher	NOUN
eurjchem-1962	176	18	to	to	PART
eurjchem-1962	176	19	predict	predict	VERB
eurjchem-1962	176	20	the	the	DET
eurjchem-1962	176	21	sites	site	NOUN
eurjchem-1962	176	22	of	of	ADP
eurjchem-1962	176	23	cytochrome	cytochrome	ADJ
eurjchem-1962	176	24	p450	p450	PROPN
eurjchem-1962	176	25	-	-	PUNCT
eurjchem-1962	176	26	mediated	mediate	VERB
eurjchem-1962	176	27	metabolism	metabolism	NOUN
eurjchem-1962	176	28	of	of	ADP
eurjchem-1962	176	29	drug	drug	NOUN
eurjchem-1962	176	30	-	-	PUNCT
eurjchem-1962	176	31	like	like	ADJ
eurjchem-1962	176	32	molecules	molecule	NOUN
eurjchem-1962	176	33	and	and	CCONJ
eurjchem-1962	176	34	it	it	PRON
eurjchem-1962	176	35	displays	display	VERB
eurjchem-1962	176	36	the	the	DET
eurjchem-1962	176	37	predicted	predict	VERB
eurjchem-1962	176	38	sites	site	NOUN
eurjchem-1962	176	39	that	that	PRON
eurjchem-1962	176	40	are	be	AUX
eurjchem-1962	176	41	metabolized	metabolize	VERB
eurjchem-1962	176	42	by	by	ADP
eurjchem-1962	176	43	the	the	DET
eurjchem-1962	176	44	cytochrome	cytochrome	NOUN
eurjchem-1962	176	45	p450	p450	PROPN
eurjchem-1962	176	46	3a4	3a4	NUM
eurjchem-1962	176	47	isoform	isoform	NOUN
eurjchem-1962	176	48	[	[	X
eurjchem-1962	176	49	37	37	NUM
eurjchem-1962	176	50	]	]	PUNCT
eurjchem-1962	176	51	.	.	PUNCT
eurjchem-1962	177	1	the	the	DET
eurjchem-1962	177	2	advantage	advantage	NOUN
eurjchem-1962	177	3	of	of	ADP
eurjchem-1962	177	4	smartcyp	smartcyp	NOUN
eurjchem-1962	177	5	is	be	AUX
eurjchem-1962	177	6	that	that	SCONJ
eurjchem-1962	177	7	the	the	DET
eurjchem-1962	177	8	result	result	NOUN
eurjchem-1962	177	9	generated	generate	VERB
eurjchem-1962	177	10	exactly	exactly	ADV
eurjchem-1962	177	11	predicts	predict	VERB
eurjchem-1962	177	12	the	the	DET
eurjchem-1962	177	13	site	site	NOUN
eurjchem-1962	177	14	of	of	ADP
eurjchem-1962	177	15	metabolism	metabolism	NOUN
eurjchem-1962	177	16	directly	directly	ADV
eurjchem-1962	177	17	from	from	ADP
eurjchem-1962	177	18	the	the	DET
eurjchem-1962	177	19	structure	structure	NOUN
eurjchem-1962	177	20	of	of	ADP
eurjchem-1962	177	21	a	a	DET
eurjchem-1962	177	22	drug	drug	NOUN
eurjchem-1962	177	23	molecule	molecule	NOUN
eurjchem-1962	177	24	,	,	PUNCT
eurjchem-1962	177	25	without	without	ADP
eurjchem-1962	177	26	the	the	DET
eurjchem-1962	177	27	need	need	NOUN
eurjchem-1962	177	28	for	for	ADP
eurjchem-1962	177	29	the	the	DET
eurjchem-1962	177	30	generation	generation	NOUN
eurjchem-1962	177	31	of	of	ADP
eurjchem-1962	177	32	3d	3d	NUM
eurjchem-1962	177	33	structures	structure	NOUN
eurjchem-1962	177	34	[	[	X
eurjchem-1962	177	35	38	38	NUM
eurjchem-1962	177	36	]	]	PUNCT
eurjchem-1962	177	37	.	.	PUNCT
eurjchem-1962	178	1	the	the	DET
eurjchem-1962	178	2	result	result	NOUN
eurjchem-1962	178	3	of	of	ADP
eurjchem-1962	178	4	predicted	predict	VERB
eurjchem-1962	178	5	cyps	cyps	PROPN
eurjchem-1962	178	6	metabolism	metabolism	NOUN
eurjchem-1962	178	7	property	property	NOUN
eurjchem-1962	178	8	of	of	ADP
eurjchem-1962	178	9	doxorubicin	doxorubicin	PROPN
eurjchem-1962	178	10	molecule	molecule	NOUN
eurjchem-1962	178	11	is	be	AUX
eurjchem-1962	178	12	shown	show	VERB
eurjchem-1962	178	13	as	as	SCONJ
eurjchem-1962	178	14	indicated	indicate	VERB
eurjchem-1962	178	15	by	by	ADP
eurjchem-1962	178	16	various	various	ADJ
eurjchem-1962	178	17	parameters	parameter	NOUN
eurjchem-1962	178	18	.	.	PUNCT
eurjchem-1962	179	1	the	the	DET
eurjchem-1962	179	2	findings	finding	NOUN
eurjchem-1962	179	3	are	be	AUX
eurjchem-1962	179	4	displayed	display	VERB
eurjchem-1962	179	5	in	in	ADP
eurjchem-1962	179	6	the	the	DET
eurjchem-1962	179	7	form	form	NOUN
eurjchem-1962	179	8	of	of	ADP
eurjchem-1962	179	9	a	a	DET
eurjchem-1962	179	10	structure	structure	NOUN
eurjchem-1962	179	11	and	and	CCONJ
eurjchem-1962	179	12	in	in	ADP
eurjchem-1962	179	13	a	a	DET
eurjchem-1962	179	14	table	table	NOUN
eurjchem-1962	179	15	for	for	ADP
eurjchem-1962	179	16	doxorubicin	doxorubicin	PROPN
eurjchem-1962	179	17	.	.	PUNCT
eurjchem-1962	180	1	both	both	CCONJ
eurjchem-1962	180	2	the	the	DET
eurjchem-1962	180	3	structure	structure	NOUN
eurjchem-1962	180	4	and	and	CCONJ
eurjchem-1962	180	5	the	the	DET
eurjchem-1962	180	6	table	table	NOUN
eurjchem-1962	180	7	shows	show	VERB
eurjchem-1962	180	8	three	three	NUM
eurjchem-1962	180	9	highest	high	ADJ
eurjchem-1962	180	10	ranking	ranking	ADJ
eurjchem-1962	180	11	atoms	atom	NOUN
eurjchem-1962	180	12	.	.	PUNCT
eurjchem-1962	181	1	the	the	DET
eurjchem-1962	181	2	top	top	ADJ
eurjchem-1962	181	3	three	three	NUM
eurjchem-1962	181	4	ranking	ranking	ADJ
eurjchem-1962	181	5	atoms	atom	NOUN
eurjchem-1962	181	6	of	of	ADP
eurjchem-1962	181	7	the	the	DET
eurjchem-1962	181	8	doxorubicin	doxorubicin	PROPN
eurjchem-1962	181	9	molecule	molecule	NOUN
eurjchem-1962	181	10	are	be	AUX
eurjchem-1962	181	11	highlighted	highlight	VERB
eurjchem-1962	181	12	in	in	ADP
eurjchem-1962	181	13	figure	figure	NOUN
eurjchem-1962	181	14	5	5	NUM
eurjchem-1962	181	15	.	.	PUNCT
eurjchem-1962	182	1	the	the	DET
eurjchem-1962	182	2	atoms	atom	NOUN
eurjchem-1962	182	3	in	in	ADP
eurjchem-1962	182	4	the	the	DET
eurjchem-1962	182	5	table	table	NOUN
eurjchem-1962	182	6	are	be	AUX
eurjchem-1962	182	7	ranked	rank	VERB
eurjchem-1962	182	8	by	by	ADP
eurjchem-1962	182	9	the	the	DET
eurjchem-1962	182	10	score	score	NOUN
eurjchem-1962	182	11	,	,	PUNCT
eurjchem-1962	182	12	the	the	DET
eurjchem-1962	182	13	lowest	low	ADJ
eurjchem-1962	182	14	score	score	NOUN
eurjchem-1962	182	15	resulting	result	VERB
eurjchem-1962	182	16	in	in	ADP
eurjchem-1962	182	17	the	the	DET
eurjchem-1962	182	18	least	least	ADJ
eurjchem-1962	182	19	rank	rank	NOUN
eurjchem-1962	182	20	,	,	PUNCT
eurjchem-1962	182	21	and	and	CCONJ
eurjchem-1962	182	22	accordingly	accordingly	ADV
eurjchem-1962	182	23	the	the	DET
eurjchem-1962	182	24	highest	high	ADJ
eurjchem-1962	182	25	probability	probability	NOUN
eurjchem-1962	182	26	of	of	ADP
eurjchem-1962	182	27	being	be	AUX
eurjchem-1962	182	28	a	a	DET
eurjchem-1962	182	29	site	site	NOUN
eurjchem-1962	182	30	of	of	ADP
eurjchem-1962	182	31	metabolism	metabolism	NOUN
eurjchem-1962	182	32	.	.	PUNCT
eurjchem-1962	183	1	the	the	DET
eurjchem-1962	183	2	comparison	comparison	NOUN
eurjchem-1962	183	3	is	be	AUX
eurjchem-1962	183	4	expressed	express	VERB
eurjchem-1962	183	5	by	by	ADP
eurjchem-1962	183	6	a	a	DET
eurjchem-1962	183	7	value	value	NOUN
eurjchem-1962	183	8	between	between	ADP
eurjchem-1962	183	9	0	0	NUM
eurjchem-1962	183	10	(	(	PUNCT
eurjchem-1962	183	11	low	low	ADJ
eurjchem-1962	183	12	)	)	PUNCT
eurjchem-1962	183	13	to	to	ADP
eurjchem-1962	183	14	1	1	NUM
eurjchem-1962	183	15	(	(	PUNCT
eurjchem-1962	183	16	high	high	ADJ
eurjchem-1962	183	17	)	)	PUNCT
eurjchem-1962	183	18	showing	show	VERB
eurjchem-1962	183	19	the	the	DET
eurjchem-1962	183	20	greatest	great	ADJ
eurjchem-1962	183	21	probability	probability	NOUN
eurjchem-1962	183	22	of	of	ADP
eurjchem-1962	183	23	being	be	AUX
eurjchem-1962	183	24	a	a	DET
eurjchem-1962	183	25	site	site	NOUN
eurjchem-1962	183	26	of	of	ADP
eurjchem-1962	183	27	metabolism	metabolism	NOUN
eurjchem-1962	183	28	.	.	PUNCT
eurjchem-1962	184	1	although	although	SCONJ
eurjchem-1962	184	2	the	the	DET
eurjchem-1962	184	3	top	top	ADJ
eurjchem-1962	184	4	three	three	NUM
eurjchem-1962	184	5	sites	site	NOUN
eurjchem-1962	184	6	are	be	AUX
eurjchem-1962	184	7	colored	color	VERB
eurjchem-1962	184	8	to	to	PART
eurjchem-1962	184	9	encourage	encourage	VERB
eurjchem-1962	184	10	recognition	recognition	NOUN
eurjchem-1962	184	11	,	,	PUNCT
eurjchem-1962	184	12	this	this	PRON
eurjchem-1962	184	13	does	do	AUX
eurjchem-1962	184	14	not	not	PART
eurjchem-1962	184	15	mean	mean	VERB
eurjchem-1962	184	16	that	that	SCONJ
eurjchem-1962	184	17	there	there	PRON
eurjchem-1962	184	18	is	be	VERB
eurjchem-1962	184	19	a	a	DET
eurjchem-1962	184	20	cutoff	cutoff	NOUN
eurjchem-1962	184	21	and	and	CCONJ
eurjchem-1962	184	22	that	that	SCONJ
eurjchem-1962	184	23	there	there	PRON
eurjchem-1962	184	24	are	be	VERB
eurjchem-1962	184	25	only	only	ADV
eurjchem-1962	184	26	three	three	NUM
eurjchem-1962	184	27	probable	probable	ADJ
eurjchem-1962	184	28	locations	location	NOUN
eurjchem-1962	184	29	as	as	ADP
eurjchem-1962	184	30	the	the	DET
eurjchem-1962	184	31	ranking	ranking	ADJ
eurjchem-1962	184	32	matters	matter	NOUN
eurjchem-1962	184	33	.	.	PUNCT
eurjchem-1962	185	1	it	it	PRON
eurjchem-1962	185	2	shows	show	VERB
eurjchem-1962	185	3	how	how	SCONJ
eurjchem-1962	185	4	close	close	ADJ
eurjchem-1962	185	5	the	the	DET
eurjchem-1962	185	6	atom	atom	NOUN
eurjchem-1962	185	7	in	in	ADP
eurjchem-1962	185	8	the	the	DET
eurjchem-1962	185	9	molecule	molecule	NOUN
eurjchem-1962	185	10	is	be	AUX
eurjchem-1962	185	11	to	to	ADP
eurjchem-1962	185	12	an	an	DET
eurjchem-1962	185	13	atom	atom	NOUN
eurjchem-1962	185	14	in	in	ADP
eurjchem-1962	185	15	a	a	DET
eurjchem-1962	185	16	fragment	fragment	NOUN
eurjchem-1962	185	17	on	on	ADP
eurjchem-1962	185	18	which	which	PRON
eurjchem-1962	185	19	discrete	discrete	ADJ
eurjchem-1962	185	20	fourier	fourier	NOUN
eurjchem-1962	185	21	transform	transform	NOUN
eurjchem-1962	185	22	(	(	PUNCT
eurjchem-1962	185	23	dft	dft	NOUN
eurjchem-1962	185	24	)	)	PUNCT
eurjchem-1962	185	25	has	have	AUX
eurjchem-1962	185	26	calculated	calculate	VERB
eurjchem-1962	185	27	the	the	DET
eurjchem-1962	185	28	activation	activation	NOUN
eurjchem-1962	185	29	energies	energy	NOUN
eurjchem-1962	185	30	.	.	PUNCT
eurjchem-1962	186	1	6	6	X
eurjchem-1962	186	2	.	.	X
eurjchem-1962	186	3	receptor	receptor	NOUN
eurjchem-1962	186	4	selection	selection	NOUN
eurjchem-1962	186	5	for	for	ADP
eurjchem-1962	186	6	molecular	molecular	ADJ
eurjchem-1962	186	7	docking	docking	NOUN
eurjchem-1962	186	8	with	with	ADP
eurjchem-1962	186	9	doxorubicin	doxorubicin	PROPN
eurjchem-1962	186	10	dna	dna	PROPN
eurjchem-1962	186	11	topoisomerases	topoisomerase	NOUN
eurjchem-1962	186	12	are	be	AUX
eurjchem-1962	186	13	essential	essential	ADJ
eurjchem-1962	186	14	for	for	ADP
eurjchem-1962	186	15	dna	dna	NOUN
eurjchem-1962	186	16	replication	replication	NOUN
eurjchem-1962	186	17	,	,	PUNCT
eurjchem-1962	186	18	transcription	transcription	NOUN
eurjchem-1962	186	19	,	,	PUNCT
eurjchem-1962	186	20	recombination	recombination	NOUN
eurjchem-1962	186	21	,	,	PUNCT
eurjchem-1962	186	22	repair	repair	NOUN
eurjchem-1962	186	23	,	,	PUNCT
eurjchem-1962	186	24	and	and	CCONJ
eurjchem-1962	186	25	mitosis	mitosis	NOUN
eurjchem-1962	186	26	by	by	ADP
eurjchem-1962	186	27	introducing	introduce	VERB
eurjchem-1962	186	28	transient	transient	ADJ
eurjchem-1962	186	29	single	single	ADJ
eurjchem-1962	186	30	-	-	PUNCT
eurjchem-1962	186	31	strand	strand	NOUN
eurjchem-1962	186	32	breaks	break	NOUN
eurjchem-1962	186	33	(	(	PUNCT
eurjchem-1962	186	34	ssbs	ssbs	PROPN
eurjchem-1962	186	35	)	)	PUNCT
eurjchem-1962	186	36	or	or	CCONJ
eurjchem-1962	186	37	double	double	ADJ
eurjchem-1962	186	38	-	-	PUNCT
eurjchem-1962	186	39	strand	strand	NOUN
eurjchem-1962	186	40	breaks	break	NOUN
eurjchem-1962	186	41	(	(	PUNCT
eurjchem-1962	186	42	dsbs	dsbs	ADJ
eurjchem-1962	186	43	)	)	PUNCT
eurjchem-1962	186	44	in	in	ADP
eurjchem-1962	186	45	the	the	DET
eurjchem-1962	186	46	dna	dna	NOUN
eurjchem-1962	186	47	to	to	PART
eurjchem-1962	186	48	adjust	adjust	VERB
eurjchem-1962	186	49	its	its	PRON
eurjchem-1962	186	50	topology	topology	NOUN
eurjchem-1962	186	51	in	in	ADP
eurjchem-1962	186	52	the	the	DET
eurjchem-1962	186	53	cell	cell	NOUN
eurjchem-1962	186	54	.	.	PUNCT
eurjchem-1962	187	1	doxorubicin	doxorubicin	PROPN
eurjchem-1962	187	2	initially	initially	ADV
eurjchem-1962	187	3	docked	dock	VERB
eurjchem-1962	187	4	into	into	ADP
eurjchem-1962	187	5	the	the	DET
eurjchem-1962	187	6	same	same	ADJ
eurjchem-1962	187	7	active	active	ADJ
eurjchem-1962	187	8	domains	domain	NOUN
eurjchem-1962	187	9	of	of	ADP
eurjchem-1962	187	10	the	the	DET
eurjchem-1962	187	11	target	target	NOUN
eurjchem-1962	187	12	enzyme	enzyme	NOUN
eurjchem-1962	187	13	of	of	ADP
eurjchem-1962	187	14	interest	interest	NOUN
eurjchem-1962	187	15	.	.	PUNCT
eurjchem-1962	188	1	doxorubicin	doxorubicin	PROPN
eurjchem-1962	188	2	is	be	AUX
eurjchem-1962	188	3	a	a	DET
eurjchem-1962	188	4	broad	broad	ADJ
eurjchem-1962	188	5	-	-	PUNCT
eurjchem-1962	188	6	spectrum	spectrum	NOUN
eurjchem-1962	188	7	anticancer	anticancer	NOUN
eurjchem-1962	188	8	drug	drug	NOUN
eurjchem-1962	188	9	that	that	PRON
eurjchem-1962	188	10	targets	target	VERB
eurjchem-1962	188	11	top	top	PROPN
eurjchem-1962	188	12	ii	ii	PROPN
eurjchem-1962	188	13	through	through	ADP
eurjchem-1962	188	14	stabilizing	stabilize	VERB
eurjchem-1962	188	15	the	the	DET
eurjchem-1962	188	16	topoisomerase	topoisomerase	ADJ
eurjchem-1962	188	17	-	-	PUNCT
eurjchem-1962	188	18	dna	dna	NOUN
eurjchem-1962	188	19	complex	complex	NOUN
eurjchem-1962	188	20	,	,	PUNCT
eurjchem-1962	188	21	thus	thus	ADV
eurjchem-1962	188	22	leading	lead	VERB
eurjchem-1962	188	23	to	to	ADP
eurjchem-1962	188	24	the	the	DET
eurjchem-1962	188	25	accumulation	accumulation	NOUN
eurjchem-1962	188	26	of	of	ADP
eurjchem-1962	188	27	dna	dna	PROPN
eurjchem-1962	188	28	breaks	break	NOUN
eurjchem-1962	188	29	and	and	CCONJ
eurjchem-1962	188	30	eventually	eventually	ADV
eurjchem-1962	188	31	cancer	cancer	NOUN
eurjchem-1962	188	32	cell	cell	NOUN
eurjchem-1962	188	33	death	death	NOUN
eurjchem-1962	189	1	[	[	X
eurjchem-1962	189	2	39	39	NUM
eurjchem-1962	189	3	]	]	PUNCT
eurjchem-1962	189	4	.	.	PUNCT
eurjchem-1962	190	1	here	here	ADV
eurjchem-1962	190	2	,	,	PUNCT
eurjchem-1962	190	3	we	we	PRON
eurjchem-1962	190	4	selected	select	VERB
eurjchem-1962	190	5	the	the	DET
eurjchem-1962	190	6	receptor	receptor	NOUN
eurjchem-1962	190	7	1zxm	1zxm	NUM
eurjchem-1962	190	8	for	for	ADP
eurjchem-1962	190	9	docking	dock	VERB
eurjchem-1962	190	10	with	with	ADP
eurjchem-1962	190	11	doxorubicin	doxorubicin	PROPN
eurjchem-1962	190	12	ligand	ligand	PROPN
eurjchem-1962	190	13	.	.	PUNCT
eurjchem-1962	191	1	the	the	DET
eurjchem-1962	191	2	receptor	receptor	NOUN
eurjchem-1962	191	3	1zxm	1zxm	NUM
eurjchem-1962	191	4	was	be	AUX
eurjchem-1962	191	5	downloaded	download	VERB
eurjchem-1962	191	6	from	from	ADP
eurjchem-1962	191	7	the	the	DET
eurjchem-1962	191	8	rcsb	rcsb	NOUN
eurjchem-1962	191	9	(	(	PUNCT
eurjchem-1962	191	10	https://www.rcsb.org/	https://www.rcsb.org/	ADJ
eurjchem-1962	191	11	)	)	PUNCT
eurjchem-1962	191	12	protein	protein	NOUN
eurjchem-1962	191	13	data	datum	NOUN
eurjchem-1962	191	14	bank	bank	PROPN
eurjchem-1962	191	15	and	and	CCONJ
eurjchem-1962	191	16	visualized	visualize	VERB
eurjchem-1962	191	17	in	in	ADP
eurjchem-1962	191	18	the	the	DET
eurjchem-1962	191	19	same	same	ADJ
eurjchem-1962	191	20	web	web	NOUN
eurjchem-1962	191	21	server	server	NOUN
eurjchem-1962	191	22	to	to	PART
eurjchem-1962	191	23	see	see	VERB
eurjchem-1962	191	24	its	its	PRON
eurjchem-1962	191	25	three	three	NUM
eurjchem-1962	191	26	-	-	PUNCT
eurjchem-1962	191	27	dimensional	dimensional	ADJ
eurjchem-1962	191	28	structure	structure	NOUN
eurjchem-1962	191	29	(	(	PUNCT
eurjchem-1962	191	30	figure	figure	NOUN
eurjchem-1962	191	31	6	6	NUM
eurjchem-1962	191	32	)	)	PUNCT
eurjchem-1962	192	1	[	[	X
eurjchem-1962	192	2	40	40	NUM
eurjchem-1962	192	3	]	]	PUNCT
eurjchem-1962	192	4	.	.	PUNCT
eurjchem-1962	193	1	6.1	6.1	NUM
eurjchem-1962	193	2	.	.	PUNCT
eurjchem-1962	194	1	active	active	ADJ
eurjchem-1962	194	2	sites	site	NOUN
eurjchem-1962	194	3	pocket	pocket	NOUN
eurjchem-1962	194	4	of	of	ADP
eurjchem-1962	194	5	receptor	receptor	NOUN
eurjchem-1962	194	6	and	and	CCONJ
eurjchem-1962	194	7	its	its	PRON
eurjchem-1962	194	8	drug	drug	NOUN
eurjchem-1962	194	9	ability	ability	NOUN
eurjchem-1962	194	10	predictions	prediction	NOUN
eurjchem-1962	194	11	by	by	ADP
eurjchem-1962	194	12	castp	castp	ADJ
eurjchem-1962	194	13	and	and	CCONJ
eurjchem-1962	194	14	pdbsum	pdbsum	NOUN
eurjchem-1962	194	15	web	web	NOUN
eurjchem-1962	194	16	servers	server	NOUN
eurjchem-1962	194	17	computed	compute	VERB
eurjchem-1962	194	18	atlas	atlas	PROPN
eurjchem-1962	194	19	of	of	ADP
eurjchem-1962	194	20	surface	surface	NOUN
eurjchem-1962	194	21	topography	topography	NOUN
eurjchem-1962	194	22	of	of	ADP
eurjchem-1962	194	23	proteins	protein	NOUN
eurjchem-1962	194	24	(	(	PUNCT
eurjchem-1962	194	25	castp	castp	NOUN
eurjchem-1962	194	26	)	)	PUNCT
eurjchem-1962	194	27	is	be	AUX
eurjchem-1962	194	28	a	a	DET
eurjchem-1962	194	29	web	web	NOUN
eurjchem-1962	194	30	server	server	NOUN
eurjchem-1962	194	31	interlinked	interlink	VERB
eurjchem-1962	194	32	with	with	ADP
eurjchem-1962	194	33	the	the	DET
eurjchem-1962	194	34	pdb	pdb	NOUN
eurjchem-1962	194	35	website	website	NOUN
eurjchem-1962	194	36	at	at	ADP
eurjchem-1962	194	37	the	the	DET
eurjchem-1962	194	38	san	san	PROPN
eurjchem-1962	194	39	diego	diego	PROPN
eurjchem-1962	194	40	supercomputing	supercomputing	PROPN
eurjchem-1962	194	41	center	center	PROPN
eurjchem-1962	194	42	(	(	PUNCT
eurjchem-1962	194	43	http://sts.bioe.uic.edu/castp/	http://sts.bioe.uic.edu/castp/	NOUN
eurjchem-1962	194	44	index.html?201l	index.html?201l	PUNCT
eurjchem-1962	194	45	)	)	PUNCT
eurjchem-1962	195	1	[	[	X
eurjchem-1962	195	2	41	41	NUM
eurjchem-1962	195	3	]	]	PUNCT
eurjchem-1962	195	4	.	.	PUNCT
eurjchem-1962	196	1	this	this	PRON
eurjchem-1962	196	2	is	be	AUX
eurjchem-1962	196	3	a	a	DET
eurjchem-1962	196	4	user	user	NOUN
eurjchem-1962	196	5	-	-	PUNCT
eurjchem-1962	196	6	friendly	friendly	ADJ
eurjchem-1962	196	7	site	site	NOUN
eurjchem-1962	196	8	wherein	wherein	SCONJ
eurjchem-1962	196	9	a	a	DET
eurjchem-1962	196	10	four	four	NUM
eurjchem-1962	196	11	-	-	PUNCT
eurjchem-1962	196	12	letter	letter	NOUN
eurjchem-1962	196	13	code	code	NOUN
eurjchem-1962	196	14	(	(	PUNCT
eurjchem-1962	196	15	pdb	pdb	NOUN
eurjchem-1962	196	16	-	-	ADJ
eurjchem-1962	196	17	id	id	NOUN
eurjchem-1962	196	18	)	)	PUNCT
eurjchem-1962	196	19	can	can	AUX
eurjchem-1962	196	20	be	be	AUX
eurjchem-1962	196	21	entered	enter	VERB
eurjchem-1962	196	22	to	to	PART
eurjchem-1962	196	23	get	get	VERB
eurjchem-1962	196	24	the	the	DET
eurjchem-1962	196	25	display	display	NOUN
eurjchem-1962	196	26	list	list	NOUN
eurjchem-1962	196	27	of	of	ADP
eurjchem-1962	196	28	relevant	relevant	ADJ
eurjchem-1962	196	29	pdb	pdb	PROPN
eurjchem-1962	196	30	structures	structure	NOUN
eurjchem-1962	196	31	.	.	PUNCT
eurjchem-1962	197	1	this	this	PRON
eurjchem-1962	197	2	is	be	AUX
eurjchem-1962	197	3	done	do	VERB
eurjchem-1962	197	4	before	before	ADP
eurjchem-1962	197	5	molecular	molecular	ADJ
eurjchem-1962	197	6	docking	docking	NOUN
eurjchem-1962	197	7	to	to	PART
eurjchem-1962	197	8	find	find	VERB
eurjchem-1962	197	9	the	the	DET
eurjchem-1962	197	10	active	active	ADJ
eurjchem-1962	197	11	sites	site	NOUN
eurjchem-1962	197	12	that	that	PRON
eurjchem-1962	197	13	are	be	AUX
eurjchem-1962	197	14	compatible	compatible	ADJ
eurjchem-1962	197	15	with	with	ADP
eurjchem-1962	197	16	the	the	DET
eurjchem-1962	197	17	ligand	ligand	NOUN
eurjchem-1962	197	18	with	with	ADP
eurjchem-1962	197	19	better	well	ADJ
eurjchem-1962	197	20	binding	bind	VERB
eurjchem-1962	197	21	energy	energy	NOUN
eurjchem-1962	197	22	and	and	CCONJ
eurjchem-1962	197	23	interaction	interaction	NOUN
eurjchem-1962	197	24	.	.	PUNCT
eurjchem-1962	198	1	in	in	ADP
eurjchem-1962	198	2	this	this	PRON
eurjchem-1962	198	3	,	,	PUNCT
eurjchem-1962	198	4	castp	castp	ADJ
eurjchem-1962	198	5	server	server	NOUN
eurjchem-1962	198	6	identifies	identify	VERB
eurjchem-1962	198	7	all	all	DET
eurjchem-1962	198	8	the	the	DET
eurjchem-1962	198	9	active	active	ADJ
eurjchem-1962	198	10	pockets	pocket	NOUN
eurjchem-1962	198	11	and	and	CCONJ
eurjchem-1962	198	12	measures	measure	NOUN
eurjchem-1962	198	13	the	the	DET
eurjchem-1962	198	14	volume	volume	NOUN
eurjchem-1962	198	15	and	and	CCONJ
eurjchem-1962	198	16	area	area	NOUN
eurjchem-1962	198	17	of	of	ADP
eurjchem-1962	198	18	each	each	DET
eurjchem-1962	198	19	pocket	pocket	NOUN
eurjchem-1962	198	20	as	as	ADV
eurjchem-1962	198	21	well	well	ADV
eurjchem-1962	198	22	as	as	ADP
eurjchem-1962	198	23	the	the	DET
eurjchem-1962	198	24	size	size	NOUN
eurjchem-1962	198	25	of	of	ADP
eurjchem-1962	198	26	mouth	mouth	NOUN
eurjchem-1962	198	27	openings	opening	NOUN
eurjchem-1962	198	28	of	of	ADP
eurjchem-1962	198	29	individual	individual	ADJ
eurjchem-1962	198	30	pockets	pocket	NOUN
eurjchem-1962	198	31	,	,	PUNCT
eurjchem-1962	198	32	which	which	PRON
eurjchem-1962	198	33	helps	help	VERB
eurjchem-1962	198	34	to	to	PART
eurjchem-1962	198	35	assess	assess	VERB
eurjchem-1962	198	36	the	the	DET
eurjchem-1962	198	37	accessibility	accessibility	NOUN
eurjchem-1962	198	38	of	of	ADP
eurjchem-1962	198	39	binding	bind	VERB
eurjchem-1962	198	40	sites	site	NOUN
eurjchem-1962	198	41	to	to	ADP
eurjchem-1962	198	42	various	various	ADJ
eurjchem-1962	198	43	ligands	ligand	NOUN
eurjchem-1962	198	44	and	and	CCONJ
eurjchem-1962	198	45	substrates	substrate	NOUN
eurjchem-1962	198	46	[	[	X
eurjchem-1962	198	47	42	42	NUM
eurjchem-1962	198	48	]	]	PUNCT
eurjchem-1962	198	49	.	.	PUNCT
eurjchem-1962	199	1	https://mcule.com/apps/property-calculator/	https://mcule.com/apps/property-calculator/	PROPN
eurjchem-1962	199	2	http://tox.charite.de/protox_ii/index.php?site=home	http://tox.charite.de/protox_ii/index.php?site=home	VERB
eurjchem-1962	199	3	https://smartcyp.sund.ku.dk/mol_to_som	https://smartcyp.sund.ku.dk/mol_to_som	PRON
eurjchem-1962	199	4	https://www.rcsb.org/	https://www.rcsb.org/	ADJ
eurjchem-1962	199	5	http://sts.bioe.uic.edu/castp/index.html?201l	http://sts.bioe.uic.edu/castp/index.html?201l	X
eurjchem-1962	200	1	http://sts.bioe.uic.edu/castp/index.html?201l	http://sts.bioe.uic.edu/castp/index.html?201l	PROPN
eurjchem-1962	201	1	174	174	NUM
eurjchem-1962	201	2	kumar	kumar	PROPN
eurjchem-1962	201	3	et	et	PROPN
eurjchem-1962	201	4	al	al	PROPN
eurjchem-1962	201	5	.	.	PUNCT
eurjchem-1962	201	6	/	/	SYM
eurjchem-1962	201	7	european	european	PROPN
eurjchem-1962	201	8	journal	journal	PROPN
eurjchem-1962	201	9	of	of	ADP
eurjchem-1962	201	10	chemistry	chemistry	NOUN
eurjchem-1962	201	11	11	11	NUM
eurjchem-1962	201	12	(	(	PUNCT
eurjchem-1962	201	13	2	2	NUM
eurjchem-1962	201	14	)	)	PUNCT
eurjchem-1962	201	15	(	(	PUNCT
eurjchem-1962	201	16	2020	2020	NUM
eurjchem-1962	201	17	)	)	PUNCT
eurjchem-1962	201	18	168	168	NUM
eurjchem-1962	201	19	-	-	SYM
eurjchem-1962	201	20	178	178	NUM
eurjchem-1962	201	21	2020	2020	NUM
eurjchem-1962	201	22	–	–	PUNCT
eurjchem-1962	201	23	european	european	ADJ
eurjchem-1962	201	24	journal	journal	NOUN
eurjchem-1962	201	25	of	of	ADP
eurjchem-1962	201	26	chemistry	chemistry	NOUN
eurjchem-1962	201	27	–	–	PUNCT
eurjchem-1962	201	28	cc	cc	NOUN
eurjchem-1962	201	29	by	by	ADP
eurjchem-1962	201	30	nc	nc	PROPN
eurjchem-1962	201	31	–	–	PUNCT
eurjchem-1962	201	32	doi	doi	NOUN
eurjchem-1962	201	33	:	:	PUNCT
eurjchem-1962	201	34	10.5155	10.5155	NUM
eurjchem-1962	201	35	/	/	SYM
eurjchem-1962	201	36	eurjchem.11.2.168	eurjchem.11.2.168	NOUN
eurjchem-1962	201	37	-	-	PUNCT
eurjchem-1962	201	38	178.1962	178.1962	NUM
eurjchem-1962	201	39	(	(	PUNCT
eurjchem-1962	201	40	a	a	NOUN
eurjchem-1962	201	41	)	)	PUNCT
eurjchem-1962	201	42	(	(	PUNCT
eurjchem-1962	201	43	b	b	X
eurjchem-1962	201	44	)	)	PUNCT
eurjchem-1962	201	45	figure	figure	NOUN
eurjchem-1962	201	46	6	6	NUM
eurjchem-1962	201	47	.	.	PUNCT
eurjchem-1962	201	48	structural	structural	ADJ
eurjchem-1962	201	49	presentation	presentation	NOUN
eurjchem-1962	201	50	of	of	ADP
eurjchem-1962	201	51	human	human	ADJ
eurjchem-1962	201	52	topoisomerase	topoisomerase	ADJ
eurjchem-1962	201	53	ii	ii	PROPN
eurjchem-1962	201	54	(	(	PUNCT
eurjchem-1962	201	55	pdb	pdb	NOUN
eurjchem-1962	201	56	:	:	PUNCT
eurjchem-1962	201	57	1zxm	1zxm	NUM
eurjchem-1962	201	58	)	)	PUNCT
eurjchem-1962	201	59	.	.	PUNCT
eurjchem-1962	202	1	(	(	PUNCT
eurjchem-1962	202	2	a	a	X
eurjchem-1962	202	3	)	)	PUNCT
eurjchem-1962	202	4	surface	surface	NOUN
eurjchem-1962	202	5	structure	structure	NOUN
eurjchem-1962	202	6	of	of	ADP
eurjchem-1962	202	7	topo	topo	PROPN
eurjchem-1962	202	8	ii	ii	PROPN
eurjchem-1962	202	9	and	and	CCONJ
eurjchem-1962	202	10	(	(	PUNCT
eurjchem-1962	202	11	b	b	NOUN
eurjchem-1962	202	12	)	)	PUNCT
eurjchem-1962	202	13	ribbon	ribbon	NOUN
eurjchem-1962	202	14	structure	structure	NOUN
eurjchem-1962	202	15	of	of	ADP
eurjchem-1962	202	16	topo	topo	PROPN
eurjchem-1962	202	17	ii	ii	PROPN
eurjchem-1962	202	18	.	.	PUNCT
eurjchem-1962	203	1	to	to	PART
eurjchem-1962	203	2	get	get	VERB
eurjchem-1962	203	3	the	the	DET
eurjchem-1962	203	4	topographic	topographic	ADJ
eurjchem-1962	203	5	computation	computation	NOUN
eurjchem-1962	203	6	,	,	PUNCT
eurjchem-1962	203	7	the	the	DET
eurjchem-1962	203	8	input	input	NOUN
eurjchem-1962	203	9	can	can	AUX
eurjchem-1962	203	10	be	be	AUX
eurjchem-1962	203	11	in	in	ADP
eurjchem-1962	203	12	the	the	DET
eurjchem-1962	203	13	form	form	NOUN
eurjchem-1962	203	14	of	of	ADP
eurjchem-1962	203	15	a	a	DET
eurjchem-1962	203	16	pdb	pdb	NOUN
eurjchem-1962	203	17	structure	structure	NOUN
eurjchem-1962	203	18	/	/	SYM
eurjchem-1962	203	19	four	four	NUM
eurjchem-1962	203	20	letters	letter	NOUN
eurjchem-1962	203	21	pdb	pdb	VERB
eurjchem-1962	203	22	i	i	PRON
eurjchem-1962	203	23	d.	d.	PROPN
eurjchem-1962	203	24	further	far	ADV
eurjchem-1962	203	25	,	,	PUNCT
eurjchem-1962	203	26	one	one	PRON
eurjchem-1962	203	27	can	can	AUX
eurjchem-1962	203	28	submit	submit	VERB
eurjchem-1962	203	29	the	the	DET
eurjchem-1962	203	30	structures	structure	NOUN
eurjchem-1962	203	31	directly	directly	ADV
eurjchem-1962	203	32	to	to	PART
eurjchem-1962	203	33	get	get	VERB
eurjchem-1962	203	34	a	a	DET
eurjchem-1962	203	35	customized	customized	ADJ
eurjchem-1962	203	36	evaluation	evaluation	NOUN
eurjchem-1962	203	37	.	.	PUNCT
eurjchem-1962	204	1	for	for	ADP
eurjchem-1962	204	2	pre	pre	ADJ
eurjchem-1962	204	3	-	-	ADJ
eurjchem-1962	204	4	computed	computed	ADJ
eurjchem-1962	204	5	results	result	NOUN
eurjchem-1962	204	6	,	,	PUNCT
eurjchem-1962	204	7	a	a	DET
eurjchem-1962	204	8	default	default	NOUN
eurjchem-1962	204	9	probe	probe	NOUN
eurjchem-1962	204	10	radius	radius	NOUN
eurjchem-1962	204	11	of	of	ADP
eurjchem-1962	204	12	1.4	1.4	NUM
eurjchem-1962	204	13	å	å	NOUN
eurjchem-1962	204	14	is	be	AUX
eurjchem-1962	204	15	used	use	VERB
eurjchem-1962	204	16	,	,	PUNCT
eurjchem-1962	204	17	which	which	PRON
eurjchem-1962	204	18	is	be	AUX
eurjchem-1962	204	19	the	the	DET
eurjchem-1962	204	20	standard	standard	ADJ
eurjchem-1962	204	21	value	value	NOUN
eurjchem-1962	204	22	for	for	ADP
eurjchem-1962	204	23	computing	compute	VERB
eurjchem-1962	204	24	the	the	DET
eurjchem-1962	204	25	solvent	solvent	ADJ
eurjchem-1962	204	26	accessible	accessible	ADJ
eurjchem-1962	204	27	surface	surface	NOUN
eurjchem-1962	204	28	area	area	NOUN
eurjchem-1962	204	29	.	.	PUNCT
eurjchem-1962	205	1	for	for	ADP
eurjchem-1962	205	2	the	the	DET
eurjchem-1962	205	3	customized	customized	ADJ
eurjchem-1962	205	4	computation	computation	NOUN
eurjchem-1962	205	5	requests	request	NOUN
eurjchem-1962	205	6	,	,	PUNCT
eurjchem-1962	205	7	users	user	NOUN
eurjchem-1962	205	8	can	can	AUX
eurjchem-1962	205	9	specify	specify	VERB
eurjchem-1962	205	10	any	any	DET
eurjchem-1962	205	11	probe	probe	NOUN
eurjchem-1962	205	12	radius	radius	NOUN
eurjchem-1962	205	13	as	as	SCONJ
eurjchem-1962	205	14	desired	desire	VERB
eurjchem-1962	205	15	[	[	X
eurjchem-1962	205	16	43	43	NUM
eurjchem-1962	205	17	]	]	PUNCT
eurjchem-1962	205	18	.	.	PUNCT
eurjchem-1962	206	1	for	for	ADP
eurjchem-1962	206	2	the	the	DET
eurjchem-1962	206	3	receptor	receptor	NOUN
eurjchem-1962	206	4	1zxm	1zxm	NOUN
eurjchem-1962	206	5	,	,	PUNCT
eurjchem-1962	206	6	we	we	PRON
eurjchem-1962	206	7	analyzed	analyze	VERB
eurjchem-1962	206	8	the	the	DET
eurjchem-1962	206	9	active	active	ADJ
eurjchem-1962	206	10	site	site	NOUN
eurjchem-1962	206	11	by	by	ADP
eurjchem-1962	206	12	using	use	VERB
eurjchem-1962	206	13	the	the	DET
eurjchem-1962	206	14	castp	castp	ADJ
eurjchem-1962	206	15	server	server	NOUN
eurjchem-1962	206	16	and	and	CCONJ
eurjchem-1962	206	17	the	the	DET
eurjchem-1962	206	18	obtained	obtain	VERB
eurjchem-1962	206	19	results	result	NOUN
eurjchem-1962	206	20	are	be	AUX
eurjchem-1962	206	21	as	as	SCONJ
eurjchem-1962	206	22	shown	show	VERB
eurjchem-1962	206	23	in	in	ADP
eurjchem-1962	206	24	figure	figure	NOUN
eurjchem-1962	206	25	7	7	NUM
eurjchem-1962	206	26	.	.	PUNCT
eurjchem-1962	206	27	alternatively	alternatively	ADV
eurjchem-1962	206	28	,	,	PUNCT
eurjchem-1962	206	29	there	there	PRON
eurjchem-1962	206	30	is	be	VERB
eurjchem-1962	206	31	another	another	DET
eurjchem-1962	206	32	freely	freely	ADV
eurjchem-1962	206	33	accessible	accessible	ADJ
eurjchem-1962	206	34	online	online	ADJ
eurjchem-1962	206	35	database	database	NOUN
eurjchem-1962	206	36	called	call	VERB
eurjchem-1962	206	37	pdbsum	pdbsum	NOUN
eurjchem-1962	206	38	(	(	PUNCT
eurjchem-1962	206	39	http://www.ebi.ac.uk/thornton-srv/data	http://www.ebi.ac.uk/thornton-srv/data	NOUN
eurjchem-1962	206	40	bases	basis	NOUN
eurjchem-1962	206	41	/	/	SYM
eurjchem-1962	206	42	cgibin	cgibin	NOUN
eurjchem-1962	206	43	/	/	SYM
eurjchem-1962	206	44	pdbsum	pdbsum	NOUN
eurjchem-1962	206	45	/	/	SYM
eurjchem-1962	206	46	getpage.pl?pdbcode	getpage.pl?pdbcode	NOUN
eurjchem-1962	206	47	=	=	SYM
eurjchem-1962	206	48	index.html	index.html	NOUN
eurjchem-1962	206	49	)	)	PUNCT
eurjchem-1962	206	50	to	to	PART
eurjchem-1962	206	51	analyze	analyze	VERB
eurjchem-1962	206	52	the	the	DET
eurjchem-1962	206	53	complete	complete	ADJ
eurjchem-1962	206	54	details	detail	NOUN
eurjchem-1962	206	55	of	of	ADP
eurjchem-1962	206	56	a	a	DET
eurjchem-1962	206	57	protein	protein	NOUN
eurjchem-1962	206	58	.	.	PUNCT
eurjchem-1962	207	1	this	this	DET
eurjchem-1962	207	2	database	database	NOUN
eurjchem-1962	207	3	provides	provide	VERB
eurjchem-1962	207	4	a	a	DET
eurjchem-1962	207	5	summary	summary	NOUN
eurjchem-1962	207	6	of	of	ADP
eurjchem-1962	207	7	the	the	DET
eurjchem-1962	207	8	molecules	molecule	NOUN
eurjchem-1962	207	9	in	in	ADP
eurjchem-1962	207	10	each	each	DET
eurjchem-1962	207	11	pdb	pdb	NOUN
eurjchem-1962	207	12	file	file	NOUN
eurjchem-1962	207	13	(	(	PUNCT
eurjchem-1962	207	14	i.e.	i.e.	X
eurjchem-1962	207	15	proteins	protein	NOUN
eurjchem-1962	207	16	,	,	PUNCT
eurjchem-1962	207	17	nucleic	nucleic	ADJ
eurjchem-1962	207	18	acids	acid	NOUN
eurjchem-1962	207	19	,	,	PUNCT
eurjchem-1962	207	20	ligands	ligand	NOUN
eurjchem-1962	207	21	,	,	PUNCT
eurjchem-1962	207	22	water	water	NOUN
eurjchem-1962	207	23	molecules	molecule	NOUN
eurjchem-1962	207	24	and	and	CCONJ
eurjchem-1962	207	25	metals	metal	NOUN
eurjchem-1962	207	26	)	)	PUNCT
eurjchem-1962	207	27	together	together	ADV
eurjchem-1962	207	28	with	with	ADP
eurjchem-1962	207	29	various	various	ADJ
eurjchem-1962	207	30	analyses	analysis	NOUN
eurjchem-1962	207	31	of	of	ADP
eurjchem-1962	207	32	their	their	PRON
eurjchem-1962	207	33	structural	structural	ADJ
eurjchem-1962	207	34	features	feature	NOUN
eurjchem-1962	207	35	[	[	X
eurjchem-1962	207	36	44,45	44,45	X
eurjchem-1962	207	37	]	]	X
eurjchem-1962	207	38	.	.	PUNCT
eurjchem-1962	208	1	a	a	DET
eurjchem-1962	208	2	calculation	calculation	NOUN
eurjchem-1962	208	3	based	base	VERB
eurjchem-1962	208	4	on	on	ADP
eurjchem-1962	208	5	ramachandran	ramachandran	PROPN
eurjchem-1962	208	6	plot	plot	NOUN
eurjchem-1962	208	7	quality	quality	NOUN
eurjchem-1962	208	8	and	and	CCONJ
eurjchem-1962	208	9	the	the	DET
eurjchem-1962	208	10	side	side	NOUN
eurjchem-1962	208	11	chain	chain	NOUN
eurjchem-1962	208	12	properties	property	NOUN
eurjchem-1962	208	13	for	for	ADP
eurjchem-1962	208	14	the	the	DET
eurjchem-1962	208	15	main	main	ADJ
eurjchem-1962	208	16	-	-	PUNCT
eurjchem-1962	208	17	chain	chain	NOUN
eurjchem-1962	208	18	of	of	ADP
eurjchem-1962	208	19	the	the	DET
eurjchem-1962	208	20	1zxm	1zxm	NUM
eurjchem-1962	208	21	was	be	AUX
eurjchem-1962	208	22	performed	perform	VERB
eurjchem-1962	208	23	by	by	ADP
eurjchem-1962	208	24	using	use	VERB
eurjchem-1962	208	25	procheck	procheck	NOUN
eurjchem-1962	208	26	(	(	PUNCT
eurjchem-1962	208	27	sub	sub	NOUN
eurjchem-1962	208	28	-	-	NOUN
eurjchem-1962	208	29	application	application	NOUN
eurjchem-1962	208	30	of	of	ADP
eurjchem-1962	208	31	pdbdsum	pdbdsum	NOUN
eurjchem-1962	208	32	)	)	PUNCT
eurjchem-1962	208	33	which	which	PRON
eurjchem-1962	208	34	were	be	AUX
eurjchem-1962	208	35	found	find	VERB
eurjchem-1962	208	36	to	to	PART
eurjchem-1962	208	37	be	be	AUX
eurjchem-1962	208	38	normal	normal	ADJ
eurjchem-1962	208	39	and	and	CCONJ
eurjchem-1962	208	40	the	the	DET
eurjchem-1962	208	41	tested	test	VERB
eurjchem-1962	208	42	parameters	parameter	NOUN
eurjchem-1962	208	43	were	be	AUX
eurjchem-1962	208	44	included	include	VERB
eurjchem-1962	208	45	in	in	ADP
eurjchem-1962	208	46	the	the	DET
eurjchem-1962	208	47	standard	standard	ADJ
eurjchem-1962	208	48	deviation	deviation	NOUN
eurjchem-1962	208	49	of	of	ADP
eurjchem-1962	208	50	the	the	DET
eurjchem-1962	208	51	chi	chi	NOUN
eurjchem-1962	208	52	angles	angle	NOUN
eurjchem-1962	209	1	[	[	X
eurjchem-1962	209	2	46	46	NUM
eurjchem-1962	209	3	]	]	PUNCT
eurjchem-1962	209	4	.	.	PUNCT
eurjchem-1962	210	1	the	the	DET
eurjchem-1962	210	2	enlarged	enlarged	ADJ
eurjchem-1962	210	3	secondary	secondary	ADJ
eurjchem-1962	210	4	structure	structure	NOUN
eurjchem-1962	210	5	and	and	CCONJ
eurjchem-1962	210	6	ramachandran	ramachandran	NOUN
eurjchem-1962	210	7	plot	plot	NOUN
eurjchem-1962	210	8	for	for	ADP
eurjchem-1962	210	9	1zxm	1zxm	NUM
eurjchem-1962	210	10	predicted	predict	VERB
eurjchem-1962	210	11	by	by	ADP
eurjchem-1962	210	12	pdbsum	pdbsum	NOUN
eurjchem-1962	210	13	web	web	NOUN
eurjchem-1962	210	14	server	server	NOUN
eurjchem-1962	210	15	generated	generate	VERB
eurjchem-1962	210	16	are	be	AUX
eurjchem-1962	210	17	shown	show	VERB
eurjchem-1962	210	18	in	in	ADP
eurjchem-1962	210	19	figure	figure	NOUN
eurjchem-1962	210	20	8	8	NUM
eurjchem-1962	210	21	.	.	NOUN
eurjchem-1962	211	1	6.2	6.2	NUM
eurjchem-1962	211	2	.	.	PUNCT
eurjchem-1962	212	1	determination	determination	NOUN
eurjchem-1962	212	2	of	of	ADP
eurjchem-1962	212	3	interaction	interaction	NOUN
eurjchem-1962	212	4	partners	partner	NOUN
eurjchem-1962	212	5	of	of	ADP
eurjchem-1962	212	6	1zxm	1zxm	NUM
eurjchem-1962	212	7	by	by	ADP
eurjchem-1962	212	8	string	string	NOUN
eurjchem-1962	212	9	database	database	NOUN
eurjchem-1962	212	10	the	the	DET
eurjchem-1962	212	11	aim	aim	NOUN
eurjchem-1962	212	12	of	of	ADP
eurjchem-1962	212	13	search	search	NOUN
eurjchem-1962	212	14	tool	tool	NOUN
eurjchem-1962	212	15	retrieval	retrieval	NOUN
eurjchem-1962	212	16	of	of	ADP
eurjchem-1962	212	17	interacting	interact	VERB
eurjchem-1962	212	18	genes	gene	NOUN
eurjchem-1962	212	19	/	/	SYM
eurjchem-1962	212	20	proteins	protein	NOUN
eurjchem-1962	212	21	(	(	PUNCT
eurjchem-1962	212	22	string	string	NOUN
eurjchem-1962	212	23	)	)	PUNCT
eurjchem-1962	212	24	database	database	NOUN
eurjchem-1962	212	25	is	be	AUX
eurjchem-1962	212	26	to	to	PART
eurjchem-1962	212	27	collect	collect	VERB
eurjchem-1962	212	28	,	,	PUNCT
eurjchem-1962	212	29	score	score	NOUN
eurjchem-1962	212	30	,	,	PUNCT
eurjchem-1962	212	31	and	and	CCONJ
eurjchem-1962	212	32	incorporate	incorporate	VERB
eurjchem-1962	212	33	all	all	DET
eurjchem-1962	212	34	publicly	publicly	ADV
eurjchem-1962	212	35	available	available	ADJ
eurjchem-1962	212	36	sources	source	NOUN
eurjchem-1962	212	37	of	of	ADP
eurjchem-1962	212	38	knowledge	knowledge	NOUN
eurjchem-1962	212	39	on	on	ADP
eurjchem-1962	212	40	protein	protein	NOUN
eurjchem-1962	212	41	-	-	PUNCT
eurjchem-1962	212	42	protein	protein	NOUN
eurjchem-1962	212	43	interaction	interaction	NOUN
eurjchem-1962	212	44	and	and	CCONJ
eurjchem-1962	212	45	complement	complement	VERB
eurjchem-1962	212	46	these	these	PRON
eurjchem-1962	212	47	with	with	ADP
eurjchem-1962	212	48	computational	computational	ADJ
eurjchem-1962	212	49	predictions	prediction	NOUN
eurjchem-1962	212	50	which	which	PRON
eurjchem-1962	212	51	helps	help	VERB
eurjchem-1962	212	52	to	to	PART
eurjchem-1962	212	53	create	create	VERB
eurjchem-1962	212	54	a	a	DET
eurjchem-1962	212	55	global	global	ADJ
eurjchem-1962	212	56	network	network	NOUN
eurjchem-1962	212	57	that	that	PRON
eurjchem-1962	212	58	is	be	AUX
eurjchem-1962	212	59	comprehensive	comprehensive	ADJ
eurjchem-1962	212	60	and	and	CCONJ
eurjchem-1962	212	61	objective	objective	ADJ
eurjchem-1962	212	62	,	,	PUNCT
eurjchem-1962	212	63	including	include	VERB
eurjchem-1962	212	64	both	both	CCONJ
eurjchem-1962	212	65	direct	direct	ADJ
eurjchem-1962	212	66	(	(	PUNCT
eurjchem-1962	212	67	physical	physical	ADJ
eurjchem-1962	212	68	)	)	PUNCT
eurjchem-1962	212	69	and	and	CCONJ
eurjchem-1962	212	70	indirect	indirect	ADJ
eurjchem-1962	212	71	(	(	PUNCT
eurjchem-1962	212	72	functional	functional	ADJ
eurjchem-1962	212	73	)	)	PUNCT
eurjchem-1962	212	74	interaction	interaction	NOUN
eurjchem-1962	212	75	.	.	PUNCT
eurjchem-1962	213	1	the	the	DET
eurjchem-1962	213	2	string	string	NOUN
eurjchem-1962	213	3	is	be	AUX
eurjchem-1962	213	4	a	a	DET
eurjchem-1962	213	5	publicly	publicly	ADV
eurjchem-1962	213	6	available	available	ADJ
eurjchem-1962	213	7	free	free	ADJ
eurjchem-1962	213	8	database	database	NOUN
eurjchem-1962	213	9	which	which	PRON
eurjchem-1962	213	10	has	have	AUX
eurjchem-1962	213	11	been	be	AUX
eurjchem-1962	213	12	used	use	VERB
eurjchem-1962	213	13	to	to	PART
eurjchem-1962	213	14	analyze	analyze	VERB
eurjchem-1962	213	15	protein	protein	NOUN
eurjchem-1962	213	16	interactions	interaction	NOUN
eurjchem-1962	213	17	of	of	ADP
eurjchem-1962	213	18	1zxm	1zxm	NUM
eurjchem-1962	213	19	(	(	PUNCT
eurjchem-1962	213	20	http://stringdb.org/	http://stringdb.org/	NOUN
eurjchem-1962	213	21	)	)	PUNCT
eurjchem-1962	214	1	[	[	X
eurjchem-1962	214	2	47	47	NUM
eurjchem-1962	214	3	]	]	PUNCT
eurjchem-1962	214	4	.	.	PUNCT
eurjchem-1962	215	1	the	the	DET
eurjchem-1962	215	2	string	string	NOUN
eurjchem-1962	215	3	database	database	NOUN
eurjchem-1962	215	4	has	have	VERB
eurjchem-1962	215	5	an	an	DET
eurjchem-1962	215	6	advantage	advantage	NOUN
eurjchem-1962	215	7	that	that	SCONJ
eurjchem-1962	215	8	it	it	PRON
eurjchem-1962	215	9	predicts	predict	VERB
eurjchem-1962	215	10	most	most	ADJ
eurjchem-1962	215	11	aggregate	aggregate	ADJ
eurjchem-1962	215	12	information	information	NOUN
eurjchem-1962	215	13	of	of	ADP
eurjchem-1962	215	14	the	the	DET
eurjchem-1962	215	15	protein	protein	NOUN
eurjchem-1962	215	16	-	-	PUNCT
eurjchem-1962	215	17	protein	protein	NOUN
eurjchem-1962	215	18	associated	associate	VERB
eurjchem-1962	215	19	clusters	cluster	NOUN
eurjchem-1962	215	20	.	.	PUNCT
eurjchem-1962	216	1	in	in	ADP
eurjchem-1962	216	2	the	the	DET
eurjchem-1962	216	3	present	present	ADJ
eurjchem-1962	216	4	example	example	NOUN
eurjchem-1962	216	5	,	,	PUNCT
eurjchem-1962	216	6	the	the	DET
eurjchem-1962	216	7	ppi	ppi	NOUN
eurjchem-1962	216	8	network	network	NOUN
eurjchem-1962	216	9	of	of	ADP
eurjchem-1962	216	10	genes	gene	NOUN
eurjchem-1962	216	11	was	be	AUX
eurjchem-1962	216	12	constructed	construct	VERB
eurjchem-1962	216	13	with	with	ADP
eurjchem-1962	216	14	the	the	DET
eurjchem-1962	216	15	string	string	NOUN
eurjchem-1962	216	16	database	database	NOUN
eurjchem-1962	216	17	and	and	CCONJ
eurjchem-1962	216	18	the	the	DET
eurjchem-1962	216	19	interaction	interaction	NOUN
eurjchem-1962	216	20	with	with	ADP
eurjchem-1962	216	21	a	a	DET
eurjchem-1962	216	22	combined	combine	VERB
eurjchem-1962	216	23	score	score	NOUN
eurjchem-1962	216	24	>	>	X
eurjchem-1962	216	25	0.4	0.4	NUM
eurjchem-1962	216	26	was	be	AUX
eurjchem-1962	216	27	considered	consider	VERB
eurjchem-1962	216	28	statistically	statistically	ADV
eurjchem-1962	216	29	significant	significant	ADJ
eurjchem-1962	216	30	.	.	PUNCT
eurjchem-1962	217	1	the	the	DET
eurjchem-1962	217	2	value	value	NOUN
eurjchem-1962	217	3	obtained	obtain	VERB
eurjchem-1962	217	4	here	here	ADV
eurjchem-1962	217	5	is	be	AUX
eurjchem-1962	217	6	statistically	statistically	ADV
eurjchem-1962	217	7	very	very	ADV
eurjchem-1962	217	8	significant	significant	ADJ
eurjchem-1962	217	9	as	as	SCONJ
eurjchem-1962	217	10	tpx2	tpx2	PROPN
eurjchem-1962	217	11	has	have	AUX
eurjchem-1962	217	12	shown	show	VERB
eurjchem-1962	217	13	the	the	DET
eurjchem-1962	217	14	highest	high	ADJ
eurjchem-1962	217	15	score	score	NOUN
eurjchem-1962	217	16	of	of	ADP
eurjchem-1962	217	17	0.997	0.997	NUM
eurjchem-1962	217	18	(	(	PUNCT
eurjchem-1962	217	19	figure	figure	NOUN
eurjchem-1962	217	20	9	9	NUM
eurjchem-1962	217	21	)	)	PUNCT
eurjchem-1962	217	22	.	.	PUNCT
eurjchem-1962	218	1	7	7	X
eurjchem-1962	218	2	.	.	X
eurjchem-1962	218	3	molecular	molecular	ADJ
eurjchem-1962	218	4	docking	docking	NOUN
eurjchem-1962	218	5	and	and	CCONJ
eurjchem-1962	218	6	visualization	visualization	NOUN
eurjchem-1962	218	7	of	of	ADP
eurjchem-1962	218	8	doxorubicin	doxorubicin	PROPN
eurjchem-1962	218	9	interaction	interaction	NOUN
eurjchem-1962	218	10	profile	profile	NOUN
eurjchem-1962	218	11	with	with	ADP
eurjchem-1962	218	12	1zxm	1zxm	NUM
eurjchem-1962	218	13	receptor	receptor	NOUN
eurjchem-1962	218	14	the	the	DET
eurjchem-1962	218	15	docking	docking	NOUN
eurjchem-1962	218	16	analysis	analysis	NOUN
eurjchem-1962	218	17	carried	carry	VERB
eurjchem-1962	218	18	out	out	ADP
eurjchem-1962	218	19	using	use	VERB
eurjchem-1962	218	20	the	the	DET
eurjchem-1962	218	21	dna	dna	PROPN
eurjchem-1962	218	22	top2a	top2a	PROPN
eurjchem-1962	218	23	(	(	PUNCT
eurjchem-1962	218	24	pdb:1zxm	pdb:1zxm	NOUN
eurjchem-1962	218	25	)	)	PUNCT
eurjchem-1962	218	26	has	have	AUX
eurjchem-1962	218	27	shown	show	VERB
eurjchem-1962	218	28	very	very	ADV
eurjchem-1962	218	29	high	high	ADJ
eurjchem-1962	218	30	binding	bind	VERB
eurjchem-1962	218	31	affinity	affinity	NOUN
eurjchem-1962	218	32	with	with	ADP
eurjchem-1962	218	33	the	the	DET
eurjchem-1962	218	34	standard	standard	ADJ
eurjchem-1962	218	35	anticancer	anticancer	NOUN
eurjchem-1962	218	36	drug	drug	NOUN
eurjchem-1962	218	37	doxorubicin	doxorubicin	PROPN
eurjchem-1962	218	38	as	as	SCONJ
eurjchem-1962	218	39	revealed	reveal	VERB
eurjchem-1962	218	40	by	by	ADP
eurjchem-1962	218	41	three	three	NUM
eurjchem-1962	218	42	different	different	ADJ
eurjchem-1962	218	43	web	web	NOUN
eurjchem-1962	218	44	servers	server	NOUN
eurjchem-1962	218	45	such	such	ADJ
eurjchem-1962	218	46	as	as	ADP
eurjchem-1962	218	47	swissdock	swissdock	NOUN
eurjchem-1962	218	48	[	[	X
eurjchem-1962	218	49	48	48	NUM
eurjchem-1962	218	50	]	]	PUNCT
eurjchem-1962	218	51	,	,	PUNCT
eurjchem-1962	218	52	mcule	mcule	ADJ
eurjchem-1962	218	53	[	[	X
eurjchem-1962	218	54	49	49	NUM
eurjchem-1962	218	55	]	]	PUNCT
eurjchem-1962	218	56	and	and	CCONJ
eurjchem-1962	218	57	mtiautodock	mtiautodock	NOUN
eurjchem-1962	219	1	[	[	X
eurjchem-1962	219	2	50	50	NUM
eurjchem-1962	219	3	]	]	PUNCT
eurjchem-1962	219	4	.	.	PUNCT
eurjchem-1962	220	1	visualization	visualization	NOUN
eurjchem-1962	220	2	of	of	ADP
eurjchem-1962	220	3	binding	bind	VERB
eurjchem-1962	220	4	interactions	interaction	NOUN
eurjchem-1962	220	5	of	of	ADP
eurjchem-1962	220	6	doxorubicin	doxorubicin	PROPN
eurjchem-1962	220	7	upon	upon	SCONJ
eurjchem-1962	220	8	docking	dock	VERB
eurjchem-1962	220	9	onto	onto	ADP
eurjchem-1962	220	10	receptor	receptor	NOUN
eurjchem-1962	220	11	1zxm	1zxm	NUM
eurjchem-1962	220	12	in	in	ADP
eurjchem-1962	220	13	top	top	ADJ
eurjchem-1962	220	14	scored	score	VERB
eurjchem-1962	220	15	poses	pose	NOUN
eurjchem-1962	220	16	obtained	obtain	VERB
eurjchem-1962	220	17	by	by	ADP
eurjchem-1962	220	18	the	the	DET
eurjchem-1962	220	19	mcule	mcule	NOUN
eurjchem-1962	220	20	and	and	CCONJ
eurjchem-1962	220	21	mtiautodock	mtiautodock	NOUN
eurjchem-1962	220	22	are	be	AUX
eurjchem-1962	220	23	as	as	SCONJ
eurjchem-1962	220	24	shown	show	VERB
eurjchem-1962	220	25	in	in	ADP
eurjchem-1962	220	26	figures	figure	NOUN
eurjchem-1962	220	27	10	10	NUM
eurjchem-1962	220	28	and	and	CCONJ
eurjchem-1962	220	29	11	11	NUM
eurjchem-1962	220	30	.	.	PUNCT
eurjchem-1962	221	1	once	once	SCONJ
eurjchem-1962	221	2	the	the	DET
eurjchem-1962	221	3	ligand	ligand	ADJ
eurjchem-1962	221	4	structure	structure	NOUN
eurjchem-1962	221	5	and	and	CCONJ
eurjchem-1962	221	6	appropriate	appropriate	ADJ
eurjchem-1962	221	7	receptor	receptor	NOUN
eurjchem-1962	221	8	are	be	AUX
eurjchem-1962	221	9	uploaded	upload	VERB
eurjchem-1962	221	10	,	,	PUNCT
eurjchem-1962	221	11	the	the	DET
eurjchem-1962	221	12	web	web	NOUN
eurjchem-1962	221	13	servers	server	NOUN
eurjchem-1962	221	14	splits	split	VERB
eurjchem-1962	221	15	the	the	DET
eurjchem-1962	221	16	ligand	ligand	ADJ
eurjchem-1962	221	17	file	file	NOUN
eurjchem-1962	221	18	in	in	ADP
eurjchem-1962	221	19	different	different	ADJ
eurjchem-1962	221	20	conformations	conformation	NOUN
eurjchem-1962	221	21	and	and	CCONJ
eurjchem-1962	221	22	sets	set	VERB
eurjchem-1962	221	23	up	up	ADP
eurjchem-1962	221	24	the	the	DET
eurjchem-1962	221	25	grid	grid	NOUN
eurjchem-1962	221	26	box	box	NOUN
eurjchem-1962	221	27	in	in	ADP
eurjchem-1962	221	28	the	the	DET
eurjchem-1962	221	29	active	active	ADJ
eurjchem-1962	221	30	sites	site	NOUN
eurjchem-1962	221	31	of	of	ADP
eurjchem-1962	221	32	residues	residue	NOUN
eurjchem-1962	221	33	for	for	ADP
eurjchem-1962	221	34	better	well	ADJ
eurjchem-1962	221	35	interactions	interaction	NOUN
eurjchem-1962	221	36	and	and	CCONJ
eurjchem-1962	221	37	the	the	DET
eurjchem-1962	221	38	data	data	NOUN
eurjchem-1962	221	39	is	be	AUX
eurjchem-1962	221	40	generated	generate	VERB
eurjchem-1962	221	41	for	for	ADP
eurjchem-1962	221	42	the	the	DET
eurjchem-1962	221	43	visualization	visualization	NOUN
eurjchem-1962	221	44	.	.	PUNCT
eurjchem-1962	222	1	in	in	ADP
eurjchem-1962	222	2	the	the	DET
eurjchem-1962	222	3	present	present	ADJ
eurjchem-1962	222	4	example	example	NOUN
eurjchem-1962	222	5	,	,	PUNCT
eurjchem-1962	222	6	the	the	DET
eurjchem-1962	222	7	binding	bind	VERB
eurjchem-1962	222	8	energy	energy	NOUN
eurjchem-1962	222	9	values	value	NOUN
eurjchem-1962	222	10	of	of	ADP
eurjchem-1962	222	11	doxorubicin	doxorubicin	PROPN
eurjchem-1962	222	12	ranges	range	VERB
eurjchem-1962	222	13	between	between	ADP
eurjchem-1962	222	14	-6.8	-6.8	NOUN
eurjchem-1962	222	15	to	to	ADP
eurjchem-1962	222	16	9.11	9.11	NUM
eurjchem-1962	222	17	as	as	SCONJ
eurjchem-1962	222	18	indicated	indicate	VERB
eurjchem-1962	222	19	by	by	ADP
eurjchem-1962	222	20	swissdock	swissdock	NOUN
eurjchem-1962	222	21	.	.	PUNCT
eurjchem-1962	223	1	http://www.ebi.ac.uk/thornton-srv/data%20bases/cgibin/pdbsum/getpage.pl?pdbcode=index.html	http://www.ebi.ac.uk/thornton-srv/data%20bases/cgibin/pdbsum/getpage.pl?pdbcode=index.html	PRON
eurjchem-1962	223	2	http://www.ebi.ac.uk/thornton-srv/data%20bases/cgibin/pdbsum/getpage.pl?pdbcode=index.html	http://www.ebi.ac.uk/thornton-srv/data%20bases/cgibin/pdbsum/getpage.pl?pdbcode=index.html	NUM
eurjchem-1962	223	3	http://string-db.org/	http://string-db.org/	PRON
eurjchem-1962	223	4	http://string-db.org/	http://string-db.org/	X
eurjchem-1962	224	1	kumar	kumar	PROPN
eurjchem-1962	224	2	et	et	PROPN
eurjchem-1962	224	3	al	al	PROPN
eurjchem-1962	224	4	.	.	PUNCT
eurjchem-1962	224	5	/	/	SYM
eurjchem-1962	224	6	european	european	PROPN
eurjchem-1962	224	7	journal	journal	PROPN
eurjchem-1962	224	8	of	of	ADP
eurjchem-1962	224	9	chemistry	chemistry	NOUN
eurjchem-1962	224	10	11	11	NUM
eurjchem-1962	224	11	(	(	PUNCT
eurjchem-1962	224	12	2	2	NUM
eurjchem-1962	224	13	)	)	PUNCT
eurjchem-1962	224	14	(	(	PUNCT
eurjchem-1962	224	15	2020	2020	NUM
eurjchem-1962	224	16	)	)	PUNCT
eurjchem-1962	224	17	168	168	NUM
eurjchem-1962	224	18	-	-	SYM
eurjchem-1962	224	19	178	178	NUM
eurjchem-1962	224	20	175	175	NUM
eurjchem-1962	224	21	2020	2020	NUM
eurjchem-1962	224	22	–	–	PUNCT
eurjchem-1962	224	23	european	european	ADJ
eurjchem-1962	224	24	journal	journal	NOUN
eurjchem-1962	224	25	of	of	ADP
eurjchem-1962	224	26	chemistry	chemistry	NOUN
eurjchem-1962	224	27	–	–	PUNCT
eurjchem-1962	224	28	cc	cc	NOUN
eurjchem-1962	224	29	by	by	ADP
eurjchem-1962	224	30	nc	nc	PROPN
eurjchem-1962	224	31	–	–	PUNCT
eurjchem-1962	224	32	doi	doi	NOUN
eurjchem-1962	224	33	:	:	PUNCT
eurjchem-1962	224	34	10.5155	10.5155	NUM
eurjchem-1962	224	35	/	/	SYM
eurjchem-1962	224	36	eurjchem.11.2.168	eurjchem.11.2.168	NOUN
eurjchem-1962	224	37	-	-	PUNCT
eurjchem-1962	224	38	178.1962	178.1962	NUM
eurjchem-1962	224	39	table	table	NOUN
eurjchem-1962	224	40	3	3	NUM
eurjchem-1962	224	41	.	.	PUNCT
eurjchem-1962	225	1	docking	dock	VERB
eurjchem-1962	225	2	interaction	interaction	NOUN
eurjchem-1962	225	3	score	score	NOUN
eurjchem-1962	225	4	and	and	CCONJ
eurjchem-1962	225	5	clustering	cluster	VERB
eurjchem-1962	225	6	results	result	NOUN
eurjchem-1962	225	7	of	of	ADP
eurjchem-1962	225	8	doxorubicin	doxorubicin	PROPN
eurjchem-1962	225	9	with	with	ADP
eurjchem-1962	225	10	1zxm	1zxm	NUM
eurjchem-1962	225	11	by	by	ADP
eurjchem-1962	225	12	swissdock	swissdock	NOUN
eurjchem-1962	225	13	.	.	PUNCT
eurjchem-1962	226	1	receptor	receptor	NOUN
eurjchem-1962	226	2	no	no	INTJ
eurjchem-1962	226	3	.	.	PUNCT
eurjchem-1962	227	1	of	of	ADP
eurjchem-1962	227	2	swiss	swiss	ADJ
eurjchem-1962	227	3	dock	dock	PROPN
eurjchem-1962	227	4	clusters	clusters	PROPN
eurjchem-1962	227	5	cluster	cluster	PROPN
eurjchem-1962	227	6	rank	rank	PROPN
eurjchem-1962	227	7	full	full	PROPN
eurjchem-1962	227	8	fitness	fitness	NOUN
eurjchem-1962	227	9	(	(	PUNCT
eurjchem-1962	227	10	kcal/	kcal/	NUM
eurjchem-1962	227	11	mol	mol	NOUN
eurjchem-1962	227	12	)	)	PUNCT
eurjchem-1962	227	13	estimated	estimate	VERB
eurjchem-1962	227	14	∆g	∆g	PROPN
eurjchem-1962	227	15	(	(	PUNCT
eurjchem-1962	227	16	kcal	kcal	PROPN
eurjchem-1962	227	17	/	/	SYM
eurjchem-1962	227	18	mol	mol	NOUN
eurjchem-1962	227	19	)	)	PUNCT
eurjchem-1962	227	20	1zxm	1zxm	NOUN
eurjchem-1962	227	21	29	29	NUM
eurjchem-1962	227	22	(	(	PUNCT
eurjchem-1962	227	23	257	257	NUM
eurjchem-1962	227	24	runs	run	NOUN
eurjchem-1962	227	25	)	)	PUNCT
eurjchem-1962	228	1	1	1	NUM
eurjchem-1962	228	2	-4590.14	-4590.14	PROPN
eurjchem-1962	228	3	-7.92	-7.92	SYM
eurjchem-1962	228	4	2	2	NUM
eurjchem-1962	228	5	-4589.66	-4589.66	NUM
eurjchem-1962	228	6	-8.95	-8.95	NUM
eurjchem-1962	228	7	3	3	NUM
eurjchem-1962	228	8	-4586.9	-4586.9	NOUN
eurjchem-1962	228	9	-6.8	-6.8	PROPN
eurjchem-1962	228	10	4	4	NUM
eurjchem-1962	228	11	-4585.05	-4585.05	NOUN
eurjchem-1962	228	12	-9.11	-9.11	NUM
eurjchem-1962	228	13	5	5	NUM
eurjchem-1962	228	14	-4585.48	-4585.48	PROPN
eurjchem-1962	228	15	-7.24	-7.24	PRON
eurjchem-1962	228	16	table	table	NOUN
eurjchem-1962	228	17	4	4	NUM
eurjchem-1962	228	18	.	.	PUNCT
eurjchem-1962	228	19	docking	dock	VERB
eurjchem-1962	228	20	interaction	interaction	NOUN
eurjchem-1962	228	21	score	score	NOUN
eurjchem-1962	228	22	with	with	ADP
eurjchem-1962	228	23	best	good	ADJ
eurjchem-1962	228	24	three	three	NUM
eurjchem-1962	228	25	docking	docking	NOUN
eurjchem-1962	228	26	poses	pose	NOUN
eurjchem-1962	228	27	of	of	ADP
eurjchem-1962	228	28	doxorubicin	doxorubicin	PROPN
eurjchem-1962	228	29	and	and	CCONJ
eurjchem-1962	228	30	1zxm	1zxm	NUM
eurjchem-1962	228	31	by	by	ADP
eurjchem-1962	228	32	mcule	mcule	ADJ
eurjchem-1962	228	33	server	server	NOUN
eurjchem-1962	228	34	.	.	PUNCT
eurjchem-1962	229	1	no	no	DET
eurjchem-1962	229	2	docking	docking	NOUN
eurjchem-1962	229	3	pose	pose	VERB
eurjchem-1962	229	4	docking	dock	VERB
eurjchem-1962	229	5	score	score	NOUN
eurjchem-1962	229	6	1	1	NUM
eurjchem-1962	229	7	#	#	SYM
eurjchem-1962	229	8	1	1	NUM
eurjchem-1962	229	9	-8.9	-8.9	ADJ
eurjchem-1962	229	10	2	2	NUM
eurjchem-1962	229	11	#	#	SYM
eurjchem-1962	229	12	2	2	NUM
eurjchem-1962	229	13	-8.4	-8.4	NOUN
eurjchem-1962	229	14	3	3	NUM
eurjchem-1962	229	15	4	4	NUM
eurjchem-1962	229	16	#	#	SYM
eurjchem-1962	229	17	3	3	NUM
eurjchem-1962	229	18	#	#	SYM
eurjchem-1962	229	19	4	4	NUM
eurjchem-1962	229	20	-8.3	-8.3	ADJ
eurjchem-1962	229	21	-8.2	-8.2	NOUN
eurjchem-1962	229	22	figure	figure	NOUN
eurjchem-1962	229	23	7	7	NUM
eurjchem-1962	229	24	.	.	PUNCT
eurjchem-1962	230	1	active	active	ADJ
eurjchem-1962	230	2	sites	site	NOUN
eurjchem-1962	230	3	prediction	prediction	NOUN
eurjchem-1962	230	4	for	for	ADP
eurjchem-1962	230	5	the	the	DET
eurjchem-1962	230	6	receptor	receptor	NOUN
eurjchem-1962	230	7	(	(	PUNCT
eurjchem-1962	230	8	1zxm	1zxm	NOUN
eurjchem-1962	230	9	)	)	PUNCT
eurjchem-1962	230	10	side	side	NOUN
eurjchem-1962	230	11	chains	chain	NOUN
eurjchem-1962	230	12	a	a	PRON
eurjchem-1962	230	13	and	and	CCONJ
eurjchem-1962	230	14	b	b	NOUN
eurjchem-1962	230	15	by	by	ADP
eurjchem-1962	230	16	using	use	VERB
eurjchem-1962	230	17	csatp	csatp	PROPN
eurjchem-1962	230	18	web	web	NOUN
eurjchem-1962	230	19	server	server	NOUN
eurjchem-1962	230	20	.	.	PUNCT
eurjchem-1962	231	1	figure	figure	NOUN
eurjchem-1962	231	2	8	8	NUM
eurjchem-1962	231	3	.	.	PUNCT
eurjchem-1962	231	4	prediction	prediction	NOUN
eurjchem-1962	231	5	by	by	ADP
eurjchem-1962	231	6	ramachandran	ramachandran	PROPN
eurjchem-1962	231	7	plot	plot	PROPN
eurjchem-1962	231	8	and	and	CCONJ
eurjchem-1962	231	9	enlarged	enlarge	VERB
eurjchem-1962	231	10	secondary	secondary	ADJ
eurjchem-1962	231	11	structure	structure	NOUN
eurjchem-1962	231	12	of	of	ADP
eurjchem-1962	231	13	1zxm	1zxm	NUM
eurjchem-1962	231	14	by	by	ADP
eurjchem-1962	231	15	pdbsum	pdbsum	NOUN
eurjchem-1962	231	16	web	web	NOUN
eurjchem-1962	231	17	server	server	NOUN
eurjchem-1962	231	18	.	.	PUNCT
eurjchem-1962	232	1	the	the	DET
eurjchem-1962	232	2	mcule	mcule	ADJ
eurjchem-1962	232	3	server	server	NOUN
eurjchem-1962	232	4	provides	provide	VERB
eurjchem-1962	232	5	four	four	NUM
eurjchem-1962	232	6	best	good	ADJ
eurjchem-1962	232	7	docking	docking	NOUN
eurjchem-1962	232	8	poses	pose	NOUN
eurjchem-1962	232	9	based	base	VERB
eurjchem-1962	232	10	on	on	ADP
eurjchem-1962	232	11	top	top	ADJ
eurjchem-1962	232	12	four	four	NUM
eurjchem-1962	232	13	docking	docking	NOUN
eurjchem-1962	232	14	scores	score	NOUN
eurjchem-1962	232	15	with	with	ADP
eurjchem-1962	232	16	best	good	ADJ
eurjchem-1962	232	17	poses	pose	NOUN
eurjchem-1962	232	18	of	of	ADP
eurjchem-1962	232	19	binding	bind	VERB
eurjchem-1962	232	20	affinity	affinity	NOUN
eurjchem-1962	232	21	and	and	CCONJ
eurjchem-1962	232	22	interaction	interaction	NOUN
eurjchem-1962	232	23	as	as	SCONJ
eurjchem-1962	232	24	shown	show	VERB
eurjchem-1962	232	25	in	in	ADP
eurjchem-1962	232	26	figure	figure	NOUN
eurjchem-1962	232	27	10	10	NUM
eurjchem-1962	232	28	(	(	PUNCT
eurjchem-1962	232	29	pose	pose	VERB
eurjchem-1962	232	30	1=	1=	NUM
eurjchem-1962	232	31	-8.9	-8.9	ADJ
eurjchem-1962	232	32	,	,	PUNCT
eurjchem-1962	232	33	pose	pose	VERB
eurjchem-1962	232	34	2=	2=	NUM
eurjchem-1962	232	35	8.4	8.4	NUM
eurjchem-1962	232	36	,	,	PUNCT
eurjchem-1962	232	37	pose3=	pose3=	NOUN
eurjchem-1962	232	38	-8.3	-8.3	NOUN
eurjchem-1962	232	39	and	and	CCONJ
eurjchem-1962	232	40	pose4=	pose4=	VERB
eurjchem-1962	232	41	-8.2	-8.2	PROPN
eurjchem-1962	232	42	)	)	PUNCT
eurjchem-1962	232	43	.	.	PUNCT
eurjchem-1962	233	1	in	in	ADP
eurjchem-1962	233	2	the	the	DET
eurjchem-1962	233	3	case	case	NOUN
eurjchem-1962	233	4	of	of	ADP
eurjchem-1962	233	5	mtiautodock	mtiautodock	PROPN
eurjchem-1962	233	6	server	server	NOUN
eurjchem-1962	233	7	,	,	PUNCT
eurjchem-1962	233	8	which	which	PRON
eurjchem-1962	233	9	is	be	AUX
eurjchem-1962	233	10	implemented	implement	VERB
eurjchem-1962	233	11	in	in	ADP
eurjchem-1962	233	12	autodock	autodock	NOUN
eurjchem-1962	233	13	4.2.6	4.2.6	NUM
eurjchem-1962	233	14	,	,	PUNCT
eurjchem-1962	233	15	it	it	PRON
eurjchem-1962	233	16	generated	generate	VERB
eurjchem-1962	233	17	10	10	NUM
eurjchem-1962	233	18	different	different	ADJ
eurjchem-1962	233	19	conformations	conformation	NOUN
eurjchem-1962	233	20	of	of	ADP
eurjchem-1962	233	21	doxorubicin	doxorubicin	PROPN
eurjchem-1962	233	22	.	.	PUNCT
eurjchem-1962	234	1	the	the	DET
eurjchem-1962	234	2	data	datum	NOUN
eurjchem-1962	234	3	generated	generate	VERB
eurjchem-1962	234	4	from	from	ADP
eurjchem-1962	234	5	the	the	DET
eurjchem-1962	234	6	above	above	ADJ
eurjchem-1962	234	7	docking	dock	VERB
eurjchem-1962	234	8	servers	server	NOUN
eurjchem-1962	234	9	for	for	ADP
eurjchem-1962	234	10	the	the	DET
eurjchem-1962	234	11	ligand	ligand	NOUN
eurjchem-1962	234	12	doxorubicin	doxorubicin	PROPN
eurjchem-1962	234	13	and	and	CCONJ
eurjchem-1962	234	14	target	target	VERB
eurjchem-1962	234	15	receptor	receptor	NOUN
eurjchem-1962	234	16	1zxm	1zxm	NUM
eurjchem-1962	234	17	is	be	AUX
eurjchem-1962	234	18	shown	show	VERB
eurjchem-1962	234	19	in	in	ADP
eurjchem-1962	234	20	tables	table	NOUN
eurjchem-1962	234	21	3	3	NUM
eurjchem-1962	234	22	-	-	SYM
eurjchem-1962	234	23	5	5	NUM
eurjchem-1962	234	24	.	.	NOUN
eurjchem-1962	234	25	176	176	NUM
eurjchem-1962	234	26	kumar	kumar	PROPN
eurjchem-1962	234	27	et	et	PROPN
eurjchem-1962	234	28	al	al	PROPN
eurjchem-1962	234	29	.	.	PUNCT
eurjchem-1962	234	30	/	/	SYM
eurjchem-1962	234	31	european	european	PROPN
eurjchem-1962	234	32	journal	journal	PROPN
eurjchem-1962	234	33	of	of	ADP
eurjchem-1962	234	34	chemistry	chemistry	NOUN
eurjchem-1962	234	35	11	11	NUM
eurjchem-1962	234	36	(	(	PUNCT
eurjchem-1962	234	37	2	2	NUM
eurjchem-1962	234	38	)	)	PUNCT
eurjchem-1962	234	39	(	(	PUNCT
eurjchem-1962	234	40	2020	2020	NUM
eurjchem-1962	234	41	)	)	PUNCT
eurjchem-1962	234	42	168	168	NUM
eurjchem-1962	234	43	-	-	SYM
eurjchem-1962	234	44	178	178	NUM
eurjchem-1962	234	45	2020	2020	NUM
eurjchem-1962	234	46	–	–	PUNCT
eurjchem-1962	234	47	european	european	ADJ
eurjchem-1962	234	48	journal	journal	NOUN
eurjchem-1962	234	49	of	of	ADP
eurjchem-1962	234	50	chemistry	chemistry	NOUN
eurjchem-1962	234	51	–	–	PUNCT
eurjchem-1962	234	52	cc	cc	NOUN
eurjchem-1962	234	53	by	by	ADP
eurjchem-1962	234	54	nc	nc	PROPN
eurjchem-1962	234	55	–	–	PUNCT
eurjchem-1962	234	56	doi	doi	NOUN
eurjchem-1962	234	57	:	:	PUNCT
eurjchem-1962	234	58	10.5155	10.5155	NUM
eurjchem-1962	234	59	/	/	SYM
eurjchem-1962	234	60	eurjchem.11.2.168	eurjchem.11.2.168	NOUN
eurjchem-1962	234	61	-	-	PUNCT
eurjchem-1962	234	62	178.1962	178.1962	NUM
eurjchem-1962	234	63	figure	figure	NOUN
eurjchem-1962	234	64	9	9	NUM
eurjchem-1962	234	65	.	.	PUNCT
eurjchem-1962	235	1	snapshot	snapshot	NOUN
eurjchem-1962	235	2	of	of	ADP
eurjchem-1962	235	3	a	a	DET
eurjchem-1962	235	4	typical	typical	ADJ
eurjchem-1962	235	5	output	output	NOUN
eurjchem-1962	235	6	from	from	ADP
eurjchem-1962	235	7	a	a	DET
eurjchem-1962	235	8	string	string	NOUN
eurjchem-1962	235	9	database	database	NOUN
eurjchem-1962	235	10	.	.	PUNCT
eurjchem-1962	236	1	topo	topo	PROPN
eurjchem-1962	236	2	ii	ii	PROPN
eurjchem-1962	236	3	isomerase	isomerase	NOUN
eurjchem-1962	236	4	(	(	PUNCT
eurjchem-1962	236	5	1zxm	1zxm	NUM
eurjchem-1962	236	6	)	)	PUNCT
eurjchem-1962	236	7	and	and	CCONJ
eurjchem-1962	236	8	its	its	PRON
eurjchem-1962	236	9	interaction	interaction	NOUN
eurjchem-1962	236	10	partners	partner	NOUN
eurjchem-1962	236	11	are	be	AUX
eurjchem-1962	236	12	shown	show	VERB
eurjchem-1962	236	13	here	here	ADV
eurjchem-1962	236	14	.	.	PUNCT
eurjchem-1962	237	1	(	(	PUNCT
eurjchem-1962	237	2	a	a	X
eurjchem-1962	237	3	)	)	PUNCT
eurjchem-1962	237	4	(	(	PUNCT
eurjchem-1962	237	5	b	b	X
eurjchem-1962	237	6	)	)	PUNCT
eurjchem-1962	237	7	(	(	PUNCT
eurjchem-1962	237	8	c	c	X
eurjchem-1962	237	9	)	)	PUNCT
eurjchem-1962	237	10	(	(	PUNCT
eurjchem-1962	237	11	d	d	X
eurjchem-1962	237	12	)	)	PUNCT
eurjchem-1962	237	13	figure	figure	NOUN
eurjchem-1962	237	14	10	10	NUM
eurjchem-1962	237	15	.	.	PUNCT
eurjchem-1962	238	1	the	the	DET
eurjchem-1962	238	2	best	good	ADJ
eurjchem-1962	238	3	four	four	NUM
eurjchem-1962	238	4	pose	pose	VERB
eurjchem-1962	238	5	molecular	molecular	ADJ
eurjchem-1962	238	6	visualization	visualization	NOUN
eurjchem-1962	238	7	for	for	ADP
eurjchem-1962	238	8	the	the	DET
eurjchem-1962	238	9	binding	binding	NOUN
eurjchem-1962	238	10	of	of	ADP
eurjchem-1962	238	11	doxorubicin	doxorubicin	PROPN
eurjchem-1962	238	12	with	with	ADP
eurjchem-1962	238	13	the	the	DET
eurjchem-1962	238	14	receptor	receptor	NOUN
eurjchem-1962	238	15	1zxm	1zxm	NUM
eurjchem-1962	238	16	dna	dna	PROPN
eurjchem-1962	238	17	topoisomerase	topoisomerase	PROPN
eurjchem-1962	238	18	ii	ii	PROPN
eurjchem-1962	238	19	with	with	ADP
eurjchem-1962	238	20	top	top	ADV
eurjchem-1962	238	21	-	-	PUNCT
eurjchem-1962	238	22	ranked	rank	VERB
eurjchem-1962	238	23	multiconformational	multiconformational	ADJ
eurjchem-1962	238	24	view	view	NOUN
eurjchem-1962	238	25	.	.	PUNCT
eurjchem-1962	239	1	(	(	PUNCT
eurjchem-1962	239	2	a	a	X
eurjchem-1962	239	3	)	)	PUNCT
eurjchem-1962	239	4	,	,	PUNCT
eurjchem-1962	239	5	(	(	PUNCT
eurjchem-1962	239	6	b	b	NOUN
eurjchem-1962	239	7	)	)	PUNCT
eurjchem-1962	239	8	,	,	PUNCT
eurjchem-1962	239	9	(	(	PUNCT
eurjchem-1962	239	10	c	c	X
eurjchem-1962	239	11	)	)	PUNCT
eurjchem-1962	239	12	and	and	CCONJ
eurjchem-1962	239	13	(	(	PUNCT
eurjchem-1962	239	14	d	d	X
eurjchem-1962	239	15	)	)	PUNCT
eurjchem-1962	239	16	are	be	AUX
eurjchem-1962	239	17	the	the	DET
eurjchem-1962	239	18	different	different	ADJ
eurjchem-1962	239	19	docking	docking	NOUN
eurjchem-1962	239	20	poses	pose	NOUN
eurjchem-1962	239	21	generated	generate	VERB
eurjchem-1962	239	22	by	by	ADP
eurjchem-1962	239	23	the	the	DET
eurjchem-1962	239	24	server	server	NOUN
eurjchem-1962	239	25	mcule	mcule	NOUN
eurjchem-1962	239	26	.	.	PUNCT
eurjchem-1962	240	1	7.1	7.1	NUM
eurjchem-1962	240	2	.	.	PUNCT
eurjchem-1962	241	1	results	result	NOUN
eurjchem-1962	241	2	of	of	ADP
eurjchem-1962	241	3	docking	dock	VERB
eurjchem-1962	241	4	interaction	interaction	NOUN
eurjchem-1962	241	5	of	of	ADP
eurjchem-1962	241	6	doxorubicin	doxorubicin	PROPN
eurjchem-1962	241	7	with1zxm	with1zxm	PROPN
eurjchem-1962	241	8	receptor	receptor	NOUN
eurjchem-1962	241	9	by	by	ADP
eurjchem-1962	241	10	swissdock	swissdock	NOUN
eurjchem-1962	241	11	,	,	PUNCT
eurjchem-1962	241	12	mcule	mcule	ADJ
eurjchem-1962	241	13	and	and	CCONJ
eurjchem-1962	241	14	mtiautodock	mtiautodock	NOUN
eurjchem-1962	241	15	the	the	DET
eurjchem-1962	241	16	molecular	molecular	ADJ
eurjchem-1962	241	17	docking	docking	NOUN
eurjchem-1962	241	18	study	study	NOUN
eurjchem-1962	241	19	with	with	ADP
eurjchem-1962	241	20	dna	dna	PROPN
eurjchem-1962	241	21	top2a	top2a	PROPN
eurjchem-1962	241	22	(	(	PUNCT
eurjchem-1962	241	23	pdb	pdb	NOUN
eurjchem-1962	241	24	:	:	PUNCT
eurjchem-1962	241	25	1zxm	1zxm	NUM
eurjchem-1962	241	26	)	)	PUNCT
eurjchem-1962	241	27	revealed	reveal	VERB
eurjchem-1962	241	28	that	that	SCONJ
eurjchem-1962	241	29	doxorubicin	doxorubicin	PROPN
eurjchem-1962	241	30	has	have	AUX
eurjchem-1962	241	31	shown	show	VERB
eurjchem-1962	241	32	high	high	ADJ
eurjchem-1962	241	33	binding	bind	VERB
eurjchem-1962	241	34	affinity	affinity	NOUN
eurjchem-1962	241	35	as	as	SCONJ
eurjchem-1962	241	36	indicated	indicate	VERB
eurjchem-1962	241	37	by	by	ADP
eurjchem-1962	241	38	all	all	DET
eurjchem-1962	241	39	the	the	DET
eurjchem-1962	241	40	three	three	NUM
eurjchem-1962	241	41	different	different	ADJ
eurjchem-1962	241	42	online	online	ADJ
eurjchem-1962	241	43	docking	docking	NOUN
eurjchem-1962	241	44	servers	server	NOUN
eurjchem-1962	241	45	.	.	PUNCT
eurjchem-1962	242	1	the	the	DET
eurjchem-1962	242	2	swissdock	swissdock	NOUN
eurjchem-1962	242	3	docking	docking	NOUN
eurjchem-1962	242	4	tool	tool	NOUN
eurjchem-1962	242	5	focused	focus	VERB
eurjchem-1962	242	6	on	on	ADP
eurjchem-1962	242	7	ligand	ligand	NOUN
eurjchem-1962	242	8	-	-	PUNCT
eurjchem-1962	242	9	protein	protein	NOUN
eurjchem-1962	242	10	interaction	interaction	NOUN
eurjchem-1962	242	11	after	after	ADP
eurjchem-1962	242	12	uploading	upload	VERB
eurjchem-1962	242	13	the	the	DET
eurjchem-1962	242	14	protein	protein	NOUN
eurjchem-1962	242	15	and	and	CCONJ
eurjchem-1962	242	16	ligand	ligand	ADJ
eurjchem-1962	242	17	structure	structure	NOUN
eurjchem-1962	242	18	files	file	NOUN
eurjchem-1962	242	19	.	.	PUNCT
eurjchem-1962	243	1	the	the	DET
eurjchem-1962	243	2	required	require	VERB
eurjchem-1962	243	3	structure	structure	NOUN
eurjchem-1962	243	4	input	input	NOUN
eurjchem-1962	243	5	format	format	NOUN
eurjchem-1962	243	6	of	of	ADP
eurjchem-1962	243	7	the	the	DET
eurjchem-1962	243	8	receptor	receptor	NOUN
eurjchem-1962	243	9	could	could	AUX
eurjchem-1962	243	10	be	be	AUX
eurjchem-1962	243	11	protein	protein	NOUN
eurjchem-1962	243	12	pdb	pdb	PROPN
eurjchem-1962	243	13	code	code	NOUN
eurjchem-1962	243	14	,	,	PUNCT
eurjchem-1962	243	15	name	name	NOUN
eurjchem-1962	243	16	of	of	ADP
eurjchem-1962	243	17	the	the	DET
eurjchem-1962	243	18	protein	protein	NOUN
eurjchem-1962	243	19	,	,	PUNCT
eurjchem-1962	243	20	sequence	sequence	NOUN
eurjchem-1962	243	21	,	,	PUNCT
eurjchem-1962	243	22	or	or	CCONJ
eurjchem-1962	243	23	url	url	X
eurjchem-1962	243	24	etc	etc	X
eurjchem-1962	243	25	.	.	PUNCT
eurjchem-1962	244	1	the	the	DET
eurjchem-1962	244	2	ligand	ligand	ADJ
eurjchem-1962	244	3	input	input	NOUN
eurjchem-1962	244	4	could	could	AUX
eurjchem-1962	244	5	be	be	AUX
eurjchem-1962	244	6	zinc	zinc	NOUN
eurjchem-1962	244	7	substance	substance	NOUN
eurjchem-1962	244	8	i	i	PROPN
eurjchem-1962	244	9	d	d	PROPN
eurjchem-1962	244	10	,	,	PUNCT
eurjchem-1962	244	11	name	name	NOUN
eurjchem-1962	244	12	of	of	ADP
eurjchem-1962	244	13	the	the	DET
eurjchem-1962	244	14	ligand	ligand	NOUN
eurjchem-1962	244	15	or	or	CCONJ
eurjchem-1962	244	16	category	category	NOUN
eurjchem-1962	244	17	(	(	PUNCT
eurjchem-1962	244	18	like	like	ADP
eurjchem-1962	244	19	scaffolds	scaffold	NOUN
eurjchem-1962	244	20	or	or	CCONJ
eurjchem-1962	244	21	side	side	NOUN
eurjchem-1962	244	22	chains	chain	NOUN
eurjchem-1962	244	23	)	)	PUNCT
eurjchem-1962	244	24	,	,	PUNCT
eurjchem-1962	244	25	or	or	CCONJ
eurjchem-1962	244	26	url	url	X
eurjchem-1962	244	27	etc	etc	X
eurjchem-1962	244	28	.	.	X
eurjchem-1962	244	29	for	for	ADP
eurjchem-1962	244	30	the	the	DET
eurjchem-1962	244	31	modified	modify	VERB
eurjchem-1962	244	32	ligands	ligand	NOUN
eurjchem-1962	244	33	and	and	CCONJ
eurjchem-1962	244	34	receptors	receptor	NOUN
eurjchem-1962	244	35	,	,	PUNCT
eurjchem-1962	244	36	the	the	DET
eurjchem-1962	244	37	structure	structure	NOUN
eurjchem-1962	244	38	needs	need	VERB
eurjchem-1962	244	39	to	to	PART
eurjchem-1962	244	40	be	be	AUX
eurjchem-1962	244	41	uploaded	upload	VERB
eurjchem-1962	244	42	separately	separately	ADV
eurjchem-1962	244	43	.	.	PUNCT
eurjchem-1962	245	1	as	as	SCONJ
eurjchem-1962	245	2	indicated	indicate	VERB
eurjchem-1962	245	3	above	above	ADV
eurjchem-1962	245	4	,	,	PUNCT
eurjchem-1962	245	5	the	the	DET
eurjchem-1962	245	6	docking	dock	VERB
eurjchem-1962	245	7	studies	study	NOUN
eurjchem-1962	245	8	of	of	ADP
eurjchem-1962	245	9	doxorubicin	doxorubicin	PROPN
eurjchem-1962	245	10	was	be	AUX
eurjchem-1962	245	11	performed	perform	VERB
eurjchem-1962	245	12	with	with	ADP
eurjchem-1962	245	13	mcule	mcule	ADJ
eurjchem-1962	245	14	,	,	PUNCT
eurjchem-1962	245	15	swissdock	swissdock	NOUN
eurjchem-1962	245	16	and	and	CCONJ
eurjchem-1962	245	17	mtiautodock	mtiautodock	NOUN
eurjchem-1962	245	18	web	web	NOUN
eurjchem-1962	245	19	servers	server	NOUN
eurjchem-1962	245	20	to	to	PART
eurjchem-1962	245	21	understand	understand	VERB
eurjchem-1962	245	22	the	the	DET
eurjchem-1962	245	23	ligand	ligand	NOUN
eurjchem-1962	245	24	’s	’s	PART
eurjchem-1962	245	25	interaction	interaction	NOUN
eurjchem-1962	245	26	with	with	ADP
eurjchem-1962	245	27	topo	topo	PROPN
eurjchem-1962	245	28	ii	ii	PROPN
eurjchem-1962	245	29	(	(	PUNCT
eurjchem-1962	245	30	1zxm	1zxm	NOUN
eurjchem-1962	245	31	)	)	PUNCT
eurjchem-1962	245	32	.	.	PUNCT
eurjchem-1962	246	1	the	the	DET
eurjchem-1962	246	2	results	result	NOUN
eurjchem-1962	246	3	of	of	ADP
eurjchem-1962	246	4	docking	dock	VERB
eurjchem-1962	246	5	analyses	analysis	NOUN
eurjchem-1962	246	6	with	with	ADP
eurjchem-1962	246	7	docking	dock	VERB
eurjchem-1962	246	8	score	score	NOUN
eurjchem-1962	246	9	are	be	AUX
eurjchem-1962	246	10	shown	show	VERB
eurjchem-1962	246	11	in	in	ADP
eurjchem-1962	246	12	tables	table	NOUN
eurjchem-1962	246	13	3	3	NUM
eurjchem-1962	246	14	-	-	SYM
eurjchem-1962	246	15	5	5	NUM
eurjchem-1962	246	16	.	.	NOUN
eurjchem-1962	246	17	8	8	NUM
eurjchem-1962	246	18	.	.	PUNCT
eurjchem-1962	247	1	conclusions	conclusion	NOUN
eurjchem-1962	247	2	in	in	ADP
eurjchem-1962	247	3	the	the	DET
eurjchem-1962	247	4	discovery	discovery	NOUN
eurjchem-1962	247	5	and	and	CCONJ
eurjchem-1962	247	6	optimization	optimization	NOUN
eurjchem-1962	247	7	of	of	ADP
eurjchem-1962	247	8	hit	hit	VERB
eurjchem-1962	247	9	molecules	molecule	NOUN
eurjchem-1962	247	10	,	,	PUNCT
eurjchem-1962	247	11	computational	computational	ADJ
eurjchem-1962	247	12	approach	approach	NOUN
eurjchem-1962	247	13	using	use	VERB
eurjchem-1962	247	14	online	online	ADJ
eurjchem-1962	247	15	web	web	NOUN
eurjchem-1962	247	16	servers	server	NOUN
eurjchem-1962	247	17	and	and	CCONJ
eurjchem-1962	247	18	databases	database	NOUN
eurjchem-1962	247	19	have	have	AUX
eurjchem-1962	247	20	become	become	VERB
eurjchem-1962	247	21	an	an	DET
eurjchem-1962	247	22	essential	essential	ADJ
eurjchem-1962	247	23	component	component	NOUN
eurjchem-1962	247	24	of	of	ADP
eurjchem-1962	247	25	current	current	ADJ
eurjchem-1962	247	26	research	research	NOUN
eurjchem-1962	247	27	.	.	PUNCT
eurjchem-1962	248	1	these	these	PRON
eurjchem-1962	248	2	are	be	AUX
eurjchem-1962	248	3	highly	highly	ADV
eurjchem-1962	248	4	useful	useful	ADJ
eurjchem-1962	248	5	in	in	ADP
eurjchem-1962	248	6	the	the	DET
eurjchem-1962	248	7	preparation	preparation	NOUN
eurjchem-1962	248	8	of	of	ADP
eurjchem-1962	248	9	ligands	ligand	NOUN
eurjchem-1962	248	10	to	to	PART
eurjchem-1962	248	11	enable	enable	VERB
eurjchem-1962	248	12	pharmacokinetic	pharmacokinetic	ADJ
eurjchem-1962	248	13	predictions	prediction	NOUN
eurjchem-1962	248	14	and	and	CCONJ
eurjchem-1962	248	15	analysis	analysis	NOUN
eurjchem-1962	248	16	of	of	ADP
eurjchem-1962	248	17	appropriate	appropriate	ADJ
eurjchem-1962	248	18	receptors	receptor	NOUN
eurjchem-1962	248	19	with	with	ADP
eurjchem-1962	248	20	the	the	DET
eurjchem-1962	248	21	active	active	ADJ
eurjchem-1962	248	22	pocket	pocket	NOUN
eurjchem-1962	248	23	residues	residue	NOUN
eurjchem-1962	248	24	to	to	PART
eurjchem-1962	248	25	find	find	VERB
eurjchem-1962	248	26	the	the	DET
eurjchem-1962	248	27	specific	specific	ADJ
eurjchem-1962	248	28	target	target	NOUN
eurjchem-1962	248	29	and	and	CCONJ
eurjchem-1962	248	30	validation	validation	NOUN
eurjchem-1962	248	31	among	among	ADP
eurjchem-1962	248	32	many	many	ADJ
eurjchem-1962	248	33	others	other	NOUN
eurjchem-1962	248	34	.	.	PUNCT
eurjchem-1962	249	1	many	many	ADJ
eurjchem-1962	249	2	of	of	ADP
eurjchem-1962	249	3	these	these	DET
eurjchem-1962	249	4	methods	method	NOUN
eurjchem-1962	249	5	and	and	CCONJ
eurjchem-1962	249	6	databases	database	NOUN
eurjchem-1962	249	7	are	be	AUX
eurjchem-1962	249	8	now	now	ADV
eurjchem-1962	249	9	available	available	ADJ
eurjchem-1962	249	10	freely	freely	ADV
eurjchem-1962	249	11	online	online	ADV
eurjchem-1962	249	12	for	for	ADP
eurjchem-1962	249	13	the	the	DET
eurjchem-1962	249	14	researchers	researcher	NOUN
eurjchem-1962	249	15	.	.	PUNCT
eurjchem-1962	250	1	these	these	DET
eurjchem-1962	250	2	tools	tool	NOUN
eurjchem-1962	250	3	provide	provide	VERB
eurjchem-1962	250	4	needed	need	VERB
eurjchem-1962	250	5	support	support	NOUN
eurjchem-1962	250	6	for	for	ADP
eurjchem-1962	250	7	the	the	DET
eurjchem-1962	250	8	drug	drug	NOUN
eurjchem-1962	250	9	discovery	discovery	NOUN
eurjchem-1962	250	10	tasks	task	NOUN
eurjchem-1962	250	11	including	include	VERB
eurjchem-1962	250	12	the	the	DET
eurjchem-1962	250	13	ability	ability	NOUN
eurjchem-1962	250	14	to	to	PART
eurjchem-1962	250	15	find	find	VERB
eurjchem-1962	250	16	a	a	DET
eurjchem-1962	250	17	new	new	ADJ
eurjchem-1962	250	18	drug	drug	NOUN
eurjchem-1962	250	19	molecule	molecule	NOUN
eurjchem-1962	250	20	,	,	PUNCT
eurjchem-1962	250	21	poly	poly	ADJ
eurjchem-1962	250	22	-	-	PUNCT
eurjchem-1962	250	23	pharmacology	pharmacology	NOUN
eurjchem-1962	250	24	,	,	PUNCT
eurjchem-1962	250	25	drug	drug	NOUN
eurjchem-1962	250	26	-	-	PUNCT
eurjchem-1962	250	27	drug	drug	NOUN
eurjchem-1962	250	28	and	and	CCONJ
eurjchem-1962	250	29	drug	drug	NOUN
eurjchem-1962	250	30	-	-	PUNCT
eurjchem-1962	250	31	protein	protein	NOUN
eurjchem-1962	250	32	interaction	interaction	NOUN
eurjchem-1962	250	33	,	,	PUNCT
eurjchem-1962	250	34	prediction	prediction	NOUN
eurjchem-1962	250	35	of	of	ADP
eurjchem-1962	250	36	active	active	ADJ
eurjchem-1962	250	37	sites	site	NOUN
eurjchem-1962	250	38	and	and	CCONJ
eurjchem-1962	250	39	very	very	ADV
eurjchem-1962	250	40	valuable	valuable	ADJ
eurjchem-1962	250	41	aggregate	aggregate	ADJ
eurjchem-1962	250	42	information	information	NOUN
eurjchem-1962	250	43	of	of	ADP
eurjchem-1962	250	44	the	the	DET
eurjchem-1962	250	45	protein	protein	NOUN
eurjchem-1962	250	46	-	-	PUNCT
eurjchem-1962	250	47	protein	protein	NOUN
eurjchem-1962	250	48	associated	associated	ADJ
eurjchem-1962	250	49	clusters	cluster	NOUN
eurjchem-1962	250	50	.	.	PUNCT
eurjchem-1962	251	1	there	there	PRON
eurjchem-1962	251	2	are	be	VERB
eurjchem-1962	251	3	still	still	ADV
eurjchem-1962	251	4	gaps	gap	NOUN
eurjchem-1962	251	5	that	that	PRON
eurjchem-1962	251	6	are	be	AUX
eurjchem-1962	251	7	needed	need	VERB
eurjchem-1962	251	8	to	to	PART
eurjchem-1962	251	9	be	be	AUX
eurjchem-1962	251	10	improved	improve	VERB
eurjchem-1962	251	11	with	with	ADP
eurjchem-1962	251	12	regard	regard	NOUN
eurjchem-1962	251	13	to	to	ADP
eurjchem-1962	251	14	enhancing	enhance	VERB
eurjchem-1962	251	15	guidance	guidance	NOUN
eurjchem-1962	251	16	to	to	ADP
eurjchem-1962	251	17	users	user	NOUN
eurjchem-1962	251	18	and	and	CCONJ
eurjchem-1962	251	19	screening	screen	VERB
eurjchem-1962	251	20	methods	method	NOUN
eurjchem-1962	251	21	for	for	ADP
eurjchem-1962	251	22	combining	combine	VERB
eurjchem-1962	251	23	receptor	receptor	NOUN
eurjchem-1962	251	24	flexibility	flexibility	NOUN
eurjchem-1962	251	25	and	and	CCONJ
eurjchem-1962	251	26	best	good	ADJ
eurjchem-1962	251	27	scoring	scoring	NOUN
eurjchem-1962	251	28	schemes	scheme	NOUN
eurjchem-1962	251	29	,	,	PUNCT
eurjchem-1962	251	30	better	well	ADJ
eurjchem-1962	251	31	selection	selection	NOUN
eurjchem-1962	251	32	of	of	ADP
eurjchem-1962	251	33	binding	bind	VERB
eurjchem-1962	251	34	pocket	pocket	NOUN
eurjchem-1962	251	35	in	in	ADP
eurjchem-1962	251	36	a	a	DET
eurjchem-1962	251	37	receptor	receptor	NOUN
eurjchem-1962	251	38	and	and	CCONJ
eurjchem-1962	251	39	kumar	kumar	PROPN
eurjchem-1962	251	40	et	et	PROPN
eurjchem-1962	251	41	al	al	PROPN
eurjchem-1962	251	42	.	.	PUNCT
eurjchem-1962	251	43	/	/	SYM
eurjchem-1962	251	44	european	european	PROPN
eurjchem-1962	251	45	journal	journal	PROPN
eurjchem-1962	251	46	of	of	ADP
eurjchem-1962	251	47	chemistry	chemistry	NOUN
eurjchem-1962	251	48	11	11	NUM
eurjchem-1962	251	49	(	(	PUNCT
eurjchem-1962	251	50	2	2	NUM
eurjchem-1962	251	51	)	)	PUNCT
eurjchem-1962	251	52	(	(	PUNCT
eurjchem-1962	251	53	2020	2020	NUM
eurjchem-1962	251	54	)	)	PUNCT
eurjchem-1962	251	55	168	168	NUM
eurjchem-1962	251	56	-	-	SYM
eurjchem-1962	251	57	178	178	NUM
eurjchem-1962	251	58	177	177	NUM
eurjchem-1962	251	59	2020	2020	NUM
eurjchem-1962	251	60	–	–	PUNCT
eurjchem-1962	251	61	european	european	ADJ
eurjchem-1962	251	62	journal	journal	NOUN
eurjchem-1962	251	63	of	of	ADP
eurjchem-1962	251	64	chemistry	chemistry	NOUN
eurjchem-1962	251	65	–	–	PUNCT
eurjchem-1962	251	66	cc	cc	NOUN
eurjchem-1962	251	67	by	by	ADP
eurjchem-1962	251	68	nc	nc	PROPN
eurjchem-1962	251	69	–	–	PUNCT
eurjchem-1962	251	70	doi	doi	NOUN
eurjchem-1962	251	71	:	:	PUNCT
eurjchem-1962	251	72	10.5155	10.5155	NUM
eurjchem-1962	251	73	/	/	SYM
eurjchem-1962	251	74	eurjchem.11.2.168	eurjchem.11.2.168	NOUN
eurjchem-1962	251	75	-	-	PUNCT
eurjchem-1962	251	76	178.1962	178.1962	NUM
eurjchem-1962	251	77	table	table	NOUN
eurjchem-1962	251	78	5	5	NUM
eurjchem-1962	251	79	.	.	NOUN
eurjchem-1962	251	80	ten	ten	NUM
eurjchem-1962	251	81	different	different	ADJ
eurjchem-1962	251	82	conformational	conformational	ADJ
eurjchem-1962	251	83	interactions	interaction	NOUN
eurjchem-1962	251	84	of	of	ADP
eurjchem-1962	251	85	doxorubicin	doxorubicin	PROPN
eurjchem-1962	251	86	with	with	ADP
eurjchem-1962	251	87	its	its	PRON
eurjchem-1962	251	88	target	target	NOUN
eurjchem-1962	251	89	receptor	receptor	NOUN
eurjchem-1962	251	90	1zxm	1zxm	NUM
eurjchem-1962	251	91	as	as	SCONJ
eurjchem-1962	251	92	provided	provide	VERB
eurjchem-1962	251	93	by	by	ADP
eurjchem-1962	251	94	mtiautodock	mtiautodock	PROPN
eurjchem-1962	251	95	server	server	PROPN
eurjchem-1962	251	96	.	.	PUNCT
eurjchem-1962	251	97	ligand	ligand	PROPN
eurjchem-1962	251	98	all	all	DET
eurjchem-1962	251	99	poses	pose	NOUN
eurjchem-1962	251	100	concatenated	concatenate	VERB
eurjchem-1962	251	101	file	file	NOUN
eurjchem-1962	251	102	(	(	PUNCT
eurjchem-1962	251	103	pdbqt	pdbqt	NOUN
eurjchem-1962	251	104	)	)	PUNCT
eurjchem-1962	251	105	all	all	DET
eurjchem-1962	251	106	poses	pose	NOUN
eurjchem-1962	251	107	concatenated	concatenate	VERB
eurjchem-1962	251	108	file	file	NOUN
eurjchem-1962	251	109	(	(	PUNCT
eurjchem-1962	251	110	mol2	mol2	PROPN
eurjchem-1962	251	111	)	)	PUNCT
eurjchem-1962	251	112	pose	pose	VERB
eurjchem-1962	251	113	energy	energy	NOUN
eurjchem-1962	251	114	rotatable	rotatable	ADJ
eurjchem-1962	251	115	bonds	bond	NOUN
eurjchem-1962	251	116	doxorubicin	doxorubicin	PROPN
eurjchem-1962	251	117	ligands_in1_all_poses.pdbqt	ligands_in1_all_poses.pdbqt	PROPN
eurjchem-1962	251	118	ligands_in1_all_poses.mol2	ligands_in1_all_poses.mol2	PROPN
eurjchem-1962	251	119	ligands_in1_1.pdbqt	ligands_in1_1.pdbqt	PROPN
eurjchem-1962	251	120	-5.94	-5.94	NUM
eurjchem-1962	251	121	2	2	NUM
eurjchem-1962	251	122	ligands_in1_2.pdbqt	ligands_in1_2.pdbqt	NOUN
eurjchem-1962	251	123	-5.93	-5.93	NUM
eurjchem-1962	251	124	2	2	NUM
eurjchem-1962	251	125	ligands_in1_3.pdbqt	ligands_in1_3.pdbqt	NOUN
eurjchem-1962	251	126	-5.93	-5.93	NUM
eurjchem-1962	251	127	2	2	NUM
eurjchem-1962	251	128	ligands_in1_4.pdbqt	ligands_in1_4.pdbqt	NOUN
eurjchem-1962	251	129	-5.73	-5.73	NUM
eurjchem-1962	251	130	2	2	NUM
eurjchem-1962	251	131	ligands_in1_5.pdbqt	ligands_in1_5.pdbqt	NOUN
eurjchem-1962	251	132	-5.54	-5.54	NUM
eurjchem-1962	251	133	2	2	NUM
eurjchem-1962	251	134	ligands_in1_6.pdbqt	ligands_in1_6.pdbqt	NOUN
eurjchem-1962	251	135	-5.51	-5.51	NUM
eurjchem-1962	251	136	2	2	NUM
eurjchem-1962	251	137	ligands_in1_7.pdbqt	ligands_in1_7.pdbqt	NOUN
eurjchem-1962	251	138	-5.45	-5.45	ADJ
eurjchem-1962	251	139	2	2	NUM
eurjchem-1962	251	140	ligands_in1_8.pdbqt	ligands_in1_8.pdbqt	NOUN
eurjchem-1962	251	141	-5.37	-5.37	NUM
eurjchem-1962	251	142	2	2	NUM
eurjchem-1962	251	143	ligands_in1_9.pdbqt	ligands_in1_9.pdbqt	NOUN
eurjchem-1962	251	144	-5.28	-5.28	NOUN
eurjchem-1962	251	145	2	2	NUM
eurjchem-1962	251	146	ligands_in1_10.pdbqt	ligands_in1_10.pdbqt	NOUN
eurjchem-1962	251	147	-5.24	-5.24	NOUN
eurjchem-1962	251	148	2	2	NUM
eurjchem-1962	251	149	(	(	PUNCT
eurjchem-1962	251	150	a	a	NOUN
eurjchem-1962	251	151	)	)	PUNCT
eurjchem-1962	251	152	(	(	PUNCT
eurjchem-1962	251	153	b	b	X
eurjchem-1962	251	154	)	)	PUNCT
eurjchem-1962	251	155	(	(	PUNCT
eurjchem-1962	251	156	c	c	X
eurjchem-1962	251	157	)	)	PUNCT
eurjchem-1962	251	158	(	(	PUNCT
eurjchem-1962	251	159	d	d	X
eurjchem-1962	251	160	)	)	PUNCT
eurjchem-1962	251	161	(	(	PUNCT
eurjchem-1962	251	162	e	e	NOUN
eurjchem-1962	251	163	)	)	PUNCT
eurjchem-1962	251	164	(	(	PUNCT
eurjchem-1962	251	165	f	f	X
eurjchem-1962	251	166	)	)	PUNCT
eurjchem-1962	251	167	(	(	PUNCT
eurjchem-1962	251	168	g	g	NOUN
eurjchem-1962	251	169	)	)	PUNCT
eurjchem-1962	251	170	(	(	PUNCT
eurjchem-1962	251	171	h	h	NOUN
eurjchem-1962	251	172	)	)	PUNCT
eurjchem-1962	251	173	(	(	PUNCT
eurjchem-1962	251	174	i	i	NOUN
eurjchem-1962	251	175	)	)	PUNCT
eurjchem-1962	251	176	(	(	PUNCT
eurjchem-1962	251	177	j	j	NOUN
eurjchem-1962	251	178	)	)	PUNCT
eurjchem-1962	251	179	figure	figure	NOUN
eurjchem-1962	251	180	11	11	NUM
eurjchem-1962	251	181	.	.	PUNCT
eurjchem-1962	252	1	visualization	visualization	NOUN
eurjchem-1962	252	2	of	of	ADP
eurjchem-1962	252	3	binding	bind	VERB
eurjchem-1962	252	4	interactions	interaction	NOUN
eurjchem-1962	252	5	of	of	ADP
eurjchem-1962	252	6	doxorubicin	doxorubicin	PROPN
eurjchem-1962	252	7	upon	upon	SCONJ
eurjchem-1962	252	8	docking	dock	VERB
eurjchem-1962	252	9	onto	onto	ADP
eurjchem-1962	252	10	receptor	receptor	NOUN
eurjchem-1962	252	11	1zxm	1zxm	NUM
eurjchem-1962	252	12	in	in	ADP
eurjchem-1962	252	13	top	top	ADJ
eurjchem-1962	252	14	10	10	NUM
eurjchem-1962	252	15	scored	score	VERB
eurjchem-1962	252	16	poses	pose	NOUN
eurjchem-1962	252	17	.	.	PUNCT
eurjchem-1962	253	1	(	(	PUNCT
eurjchem-1962	253	2	a	a	PROPN
eurjchem-1962	253	3	-	-	PUNCT
eurjchem-1962	253	4	j	j	NOUN
eurjchem-1962	253	5	)	)	PUNCT
eurjchem-1962	253	6	are	be	AUX
eurjchem-1962	253	7	different	different	ADJ
eurjchem-1962	253	8	conformation	conformation	NOUN
eurjchem-1962	253	9	of	of	ADP
eurjchem-1962	253	10	binding	bind	VERB
eurjchem-1962	253	11	interaction	interaction	NOUN
eurjchem-1962	253	12	between	between	ADP
eurjchem-1962	253	13	the	the	DET
eurjchem-1962	253	14	ligand	ligand	NOUN
eurjchem-1962	253	15	doxorubicin	doxorubicin	PROPN
eurjchem-1962	253	16	and	and	CCONJ
eurjchem-1962	253	17	the	the	DET
eurjchem-1962	253	18	receptor	receptor	NOUN
eurjchem-1962	253	19	(	(	PUNCT
eurjchem-1962	253	20	1zxm	1zxm	NOUN
eurjchem-1962	253	21	)	)	PUNCT
eurjchem-1962	253	22	.	.	PUNCT
eurjchem-1962	254	1	developing	develop	VERB
eurjchem-1962	254	2	user	user	NOUN
eurjchem-1962	254	3	-	-	PUNCT
eurjchem-1962	254	4	friendly	friendly	ADJ
eurjchem-1962	254	5	workflows	workflow	NOUN
eurjchem-1962	254	6	.	.	PUNCT
eurjchem-1962	255	1	yet	yet	ADV
eurjchem-1962	255	2	,	,	PUNCT
eurjchem-1962	255	3	the	the	DET
eurjchem-1962	255	4	freely	freely	ADV
eurjchem-1962	255	5	available	available	ADJ
eurjchem-1962	255	6	and	and	CCONJ
eurjchem-1962	255	7	online	online	ADJ
eurjchem-1962	255	8	accessible	accessible	ADJ
eurjchem-1962	255	9	web	web	NOUN
eurjchem-1962	255	10	servers	server	NOUN
eurjchem-1962	255	11	and	and	CCONJ
eurjchem-1962	255	12	databases	database	NOUN
eurjchem-1962	255	13	have	have	AUX
eurjchem-1962	255	14	already	already	ADV
eurjchem-1962	255	15	contributed	contribute	VERB
eurjchem-1962	255	16	enormously	enormously	ADV
eurjchem-1962	255	17	to	to	PART
eurjchem-1962	255	18	do	do	VERB
eurjchem-1962	255	19	faster	fast	ADV
eurjchem-1962	255	20	,	,	PUNCT
eurjchem-1962	255	21	better	well	ADJ
eurjchem-1962	255	22	and	and	CCONJ
eurjchem-1962	255	23	cheaper	cheap	ADJ
eurjchem-1962	255	24	identification	identification	NOUN
eurjchem-1962	255	25	of	of	ADP
eurjchem-1962	255	26	new	new	ADJ
eurjchem-1962	255	27	drug	drug	NOUN
eurjchem-1962	255	28	candidates	candidate	NOUN
eurjchem-1962	255	29	either	either	CCONJ
eurjchem-1962	255	30	synthesized	synthesize	VERB
eurjchem-1962	255	31	or	or	CCONJ
eurjchem-1962	255	32	extracted	extract	VERB
eurjchem-1962	255	33	from	from	ADP
eurjchem-1962	255	34	natural	natural	ADJ
eurjchem-1962	255	35	sources	source	NOUN
eurjchem-1962	255	36	.	.	PUNCT
eurjchem-1962	256	1	in	in	ADP
eurjchem-1962	256	2	this	this	DET
eurjchem-1962	256	3	present	present	ADJ
eurjchem-1962	256	4	compilation	compilation	NOUN
eurjchem-1962	256	5	,	,	PUNCT
eurjchem-1962	256	6	by	by	ADP
eurjchem-1962	256	7	taking	take	VERB
eurjchem-1962	256	8	doxorubicin	doxorubicin	PROPN
eurjchem-1962	256	9	as	as	ADP
eurjchem-1962	256	10	a	a	DET
eurjchem-1962	256	11	model	model	NOUN
eurjchem-1962	256	12	ligand	ligand	NOUN
eurjchem-1962	256	13	and	and	CCONJ
eurjchem-1962	256	14	its	its	PRON
eurjchem-1962	256	15	1zxm	1zxm	NUM
eurjchem-1962	256	16	target	target	NOUN
eurjchem-1962	256	17	receptor	receptor	NOUN
eurjchem-1962	256	18	,	,	PUNCT
eurjchem-1962	256	19	we	we	PRON
eurjchem-1962	256	20	have	have	AUX
eurjchem-1962	256	21	shown	show	VERB
eurjchem-1962	256	22	the	the	DET
eurjchem-1962	256	23	utility	utility	NOUN
eurjchem-1962	256	24	of	of	ADP
eurjchem-1962	256	25	some	some	PRON
eurjchem-1962	256	26	of	of	ADP
eurjchem-1962	256	27	the	the	DET
eurjchem-1962	256	28	free	free	ADJ
eurjchem-1962	256	29	online	online	ADJ
eurjchem-1962	256	30	available	available	ADJ
eurjchem-1962	256	31	tools	tool	NOUN
eurjchem-1962	256	32	in	in	ADP
eurjchem-1962	256	33	the	the	DET
eurjchem-1962	256	34	area	area	NOUN
eurjchem-1962	256	35	of	of	ADP
eurjchem-1962	256	36	in	in	ADP
eurjchem-1962	256	37	silico	silico	NOUN
eurjchem-1962	256	38	drug	drug	NOUN
eurjchem-1962	256	39	design	design	NOUN
eurjchem-1962	256	40	.	.	PUNCT
eurjchem-1962	257	1	disclosure	disclosure	NOUN
eurjchem-1962	257	2	statement	statement	NOUN
eurjchem-1962	257	3	conflict	conflict	NOUN
eurjchem-1962	257	4	of	of	ADP
eurjchem-1962	257	5	interests	interest	NOUN
eurjchem-1962	257	6	:	:	PUNCT
eurjchem-1962	257	7	the	the	DET
eurjchem-1962	257	8	authors	author	NOUN
eurjchem-1962	257	9	report	report	VERB
eurjchem-1962	257	10	no	no	DET
eurjchem-1962	257	11	conflicts	conflict	NOUN
eurjchem-1962	257	12	of	of	ADP
eurjchem-1962	257	13	interest	interest	NOUN
eurjchem-1962	257	14	in	in	ADP
eurjchem-1962	257	15	this	this	DET
eurjchem-1962	257	16	work	work	NOUN
eurjchem-1962	257	17	.	.	PUNCT
eurjchem-1962	258	1	author	author	NOUN
eurjchem-1962	258	2	contributions	contribution	NOUN
eurjchem-1962	258	3	:	:	PUNCT
eurjchem-1962	258	4	rajeshwara	rajeshwara	PROPN
eurjchem-1962	258	5	achur	achur	PROPN
eurjchem-1962	258	6	and	and	CCONJ
eurjchem-1962	258	7	praveen	praveen	PROPN
eurjchem-1962	258	8	kumar	kumar	PROPN
eurjchem-1962	258	9	conceptualized	conceptualize	VERB
eurjchem-1962	258	10	the	the	DET
eurjchem-1962	258	11	study	study	NOUN
eurjchem-1962	258	12	,	,	PUNCT
eurjchem-1962	258	13	performed	perform	VERB
eurjchem-1962	258	14	the	the	DET
eurjchem-1962	258	15	review	review	NOUN
eurjchem-1962	258	16	of	of	ADP
eurjchem-1962	258	17	literature	literature	NOUN
eurjchem-1962	258	18	and	and	CCONJ
eurjchem-1962	258	19	wrote	write	VERB
eurjchem-1962	258	20	the	the	DET
eurjchem-1962	258	21	manuscript	manuscript	NOUN
eurjchem-1962	258	22	.	.	PUNCT
eurjchem-1962	259	1	the	the	DET
eurjchem-1962	259	2	manuscript	manuscript	NOUN
eurjchem-1962	259	3	contents	content	NOUN
eurjchem-1962	259	4	were	be	AUX
eurjchem-1962	259	5	designed	design	VERB
eurjchem-1962	259	6	and	and	CCONJ
eurjchem-1962	259	7	compiled	compile	VERB
eurjchem-1962	259	8	in	in	ADP
eurjchem-1962	259	9	consultation	consultation	NOUN
eurjchem-1962	259	10	and	and	CCONJ
eurjchem-1962	259	11	inputs	input	NOUN
eurjchem-1962	259	12	from	from	ADP
eurjchem-1962	259	13	nayak	nayak	PROPN
eurjchem-1962	259	14	devappa	devappa	PROPN
eurjchem-1962	259	15	satyanarayan	satyanarayan	PROPN
eurjchem-1962	259	16	,	,	PUNCT
eurjchem-1962	259	17	subba	subba	PROPN
eurjchem-1962	259	18	rao	rao	PROPN
eurjchem-1962	259	19	venkata	venkata	PROPN
eurjchem-1962	259	20	madhunapantula	madhunapantula	PROPN
eurjchem-1962	259	21	and	and	CCONJ
eurjchem-1962	259	22	hulikal	hulikal	PROPN
eurjchem-1962	259	23	shivashankara	shivashankara	PROPN
eurjchem-1962	259	24	santhosh	santhosh	PROPN
eurjchem-1962	259	25	kumar	kumar	PROPN
eurjchem-1962	259	26	.	.	PROPN
eurjchem-1962	259	27	178	178	NUM
eurjchem-1962	259	28	kumar	kumar	PROPN
eurjchem-1962	259	29	et	et	PROPN
eurjchem-1962	259	30	al	al	PROPN
eurjchem-1962	259	31	.	.	PUNCT
eurjchem-1962	259	32	/	/	SYM
eurjchem-1962	259	33	european	european	PROPN
eurjchem-1962	259	34	journal	journal	PROPN
eurjchem-1962	259	35	of	of	ADP
eurjchem-1962	259	36	chemistry	chemistry	NOUN
eurjchem-1962	259	37	11	11	NUM
eurjchem-1962	259	38	(	(	PUNCT
eurjchem-1962	259	39	2	2	NUM
eurjchem-1962	259	40	)	)	PUNCT
eurjchem-1962	259	41	(	(	PUNCT
eurjchem-1962	259	42	2020	2020	NUM
eurjchem-1962	259	43	)	)	PUNCT
eurjchem-1962	259	44	168	168	NUM
eurjchem-1962	259	45	-	-	SYM
eurjchem-1962	259	46	178	178	NUM
eurjchem-1962	259	47	2020	2020	NUM
eurjchem-1962	259	48	–	–	PUNCT
eurjchem-1962	259	49	european	european	ADJ
eurjchem-1962	259	50	journal	journal	NOUN
eurjchem-1962	259	51	of	of	ADP
eurjchem-1962	259	52	chemistry	chemistry	NOUN
eurjchem-1962	259	53	–	–	PUNCT
eurjchem-1962	259	54	cc	cc	NOUN
eurjchem-1962	259	55	by	by	ADP
eurjchem-1962	259	56	nc	nc	PROPN
eurjchem-1962	259	57	–	–	PUNCT
eurjchem-1962	259	58	doi	doi	NOUN
eurjchem-1962	259	59	:	:	PUNCT
eurjchem-1962	259	60	10.5155	10.5155	NUM
eurjchem-1962	259	61	/	/	SYM
eurjchem-1962	259	62	eurjchem.11.2.168	eurjchem.11.2.168	NOUN
eurjchem-1962	259	63	-	-	PUNCT
eurjchem-1962	259	64	178.1962	178.1962	NUM
eurjchem-1962	259	65	ethical	ethical	ADJ
eurjchem-1962	259	66	approval	approval	NOUN
eurjchem-1962	259	67	:	:	PUNCT
eurjchem-1962	259	68	the	the	DET
eurjchem-1962	259	69	present	present	ADJ
eurjchem-1962	259	70	study	study	NOUN
eurjchem-1962	259	71	did	do	AUX
eurjchem-1962	259	72	not	not	PART
eurjchem-1962	259	73	require	require	VERB
eurjchem-1962	259	74	any	any	DET
eurjchem-1962	259	75	type	type	NOUN
eurjchem-1962	259	76	of	of	ADP
eurjchem-1962	259	77	ethical	ethical	ADJ
eurjchem-1962	259	78	approval	approval	NOUN
eurjchem-1962	259	79	.	.	PUNCT
eurjchem-1962	260	1	sample	sample	NOUN
eurjchem-1962	260	2	availability	availability	NOUN
eurjchem-1962	260	3	:	:	PUNCT
eurjchem-1962	260	4	not	not	PART
eurjchem-1962	260	5	applicable	applicable	ADJ
eurjchem-1962	260	6	.	.	PUNCT
eurjchem-1962	261	1	orcid	orcid	NOUN
eurjchem-1962	261	2	praveen	praveen	PROPN
eurjchem-1962	261	3	kumar	kumar	PROPN
eurjchem-1962	261	4	http://orcid.org/0000-0002-8034-6348	http://orcid.org/0000-0002-8034-6348	PROPN
eurjchem-1962	261	5	nayak	nayak	PROPN
eurjchem-1962	261	6	devappa	devappa	PROPN
eurjchem-1962	261	7	satyanarayan	satyanarayan	PROPN
eurjchem-1962	261	8	http://orcid.org/0000-0001-4511-3749	http://orcid.org/0000-0001-4511-3749	PROPN
eurjchem-1962	261	9	subba	subba	PROPN
eurjchem-1962	261	10	rao	rao	PROPN
eurjchem-1962	261	11	venkata	venkata	PROPN
eurjchem-1962	261	12	madhunapantula	madhunapantula	PROPN
eurjchem-1962	261	13	http://orcid.org/0000-0001-9167-9271	http://orcid.org/0000-0001-9167-9271	PROPN
eurjchem-1962	261	14	hulikal	hulikal	PROPN
eurjchem-1962	261	15	shivashankara	shivashankara	PROPN
eurjchem-1962	261	16	santhosh	santhosh	PROPN
eurjchem-1962	261	17	kumar	kumar	PROPN
eurjchem-1962	261	18	http://orcid.org/0000-0003-0371-3535	http://orcid.org/0000-0003-0371-3535	PROPN
eurjchem-1962	261	19	rajeshwara	rajeshwara	PROPN
eurjchem-1962	261	20	achur	achur	PROPN
eurjchem-1962	261	21	http://orcid.org/0000-0001-9867-8917	http://orcid.org/0000-0001-9867-8917	NOUN
eurjchem-1962	261	22	references	reference	NOUN
eurjchem-1962	261	23	[	[	X
eurjchem-1962	261	24	1	1	NUM
eurjchem-1962	261	25	]	]	PUNCT
eurjchem-1962	261	26	.	.	PUNCT
eurjchem-1962	262	1	fang	fang	PROPN
eurjchem-1962	262	2	,	,	PUNCT
eurjchem-1962	262	3	y.	y.	PROPN
eurjchem-1962	262	4	;	;	PUNCT
eurjchem-1962	262	5	ding	ding	NOUN
eurjchem-1962	262	6	,	,	PUNCT
eurjchem-1962	262	7	y.	y.	PROPN
eurjchem-1962	262	8	;	;	PUNCT
eurjchem-1962	262	9	feinstein	feinstein	PROPN
eurjchem-1962	262	10	,	,	PUNCT
eurjchem-1962	262	11	w.	w.	PROPN
eurjchem-1962	262	12	p.	p.	PROPN
eurjchem-1962	262	13	;	;	PUNCT
eurjchem-1962	262	14	koppelman	koppelman	NOUN
eurjchem-1962	262	15	,	,	PUNCT
eurjchem-1962	262	16	d.	d.	PROPN
eurjchem-1962	262	17	m.	m.	PROPN
eurjchem-1962	262	18	;	;	PUNCT
eurjchem-1962	262	19	moreno	moreno	PROPN
eurjchem-1962	262	20	,	,	PUNCT
eurjchem-1962	262	21	j.	j.	PROPN
eurjchem-1962	262	22	;	;	PUNCT
eurjchem-1962	262	23	jarrell	jarrell	PROPN
eurjchem-1962	262	24	,	,	PUNCT
eurjchem-1962	262	25	m.	m.	NOUN
eurjchem-1962	262	26	;	;	PUNCT
eurjchem-1962	262	27	ramanujam	ramanujam	PROPN
eurjchem-1962	262	28	,	,	PUNCT
eurjchem-1962	262	29	j.	j.	PROPN
eurjchem-1962	262	30	;	;	PUNCT
eurjchem-1962	262	31	brylinski	brylinski	PROPN
eurjchem-1962	262	32	,	,	PUNCT
eurjchem-1962	262	33	m.	m.	NOUN
eurjchem-1962	262	34	plos	plo	VERB
eurjchem-1962	262	35	one	one	NUM
eurjchem-1962	262	36	2016	2016	NUM
eurjchem-1962	262	37	,	,	PUNCT
eurjchem-1962	262	38	11(7	11(7	NUM
eurjchem-1962	262	39	)	)	PUNCT
eurjchem-1962	262	40	,	,	PUNCT
eurjchem-1962	262	41	e0158898	e0158898	PROPN
eurjchem-1962	262	42	.	.	PUNCT
eurjchem-1962	263	1	[	[	X
eurjchem-1962	263	2	2	2	NUM
eurjchem-1962	263	3	]	]	PUNCT
eurjchem-1962	263	4	.	.	PUNCT
eurjchem-1962	264	1	bode	bode	PROPN
eurjchem-1962	264	2	,	,	PUNCT
eurjchem-1962	264	3	j.	j.	PROPN
eurjchem-1962	264	4	w.	w.	PROPN
eurjchem-1962	264	5	;	;	PUNCT
eurjchem-1962	264	6	reactor	reactor	NOUN
eurjchem-1962	264	7	chemaxon	chemaxon	PROPN
eurjchem-1962	264	8	ltd	ltd	PROPN
eurjchem-1962	264	9	.	.	PROPN
eurjchem-1962	264	10	retrieved	retrieve	VERB
eurjchem-1962	264	11	december	december	PROPN
eurjchem-1962	264	12	15	15	NUM
eurjchem-1962	264	13	,	,	PUNCT
eurjchem-1962	264	14	2019	2019	NUM
eurjchem-1962	264	15	,	,	PUNCT
eurjchem-1962	264	16	from	from	ADP
eurjchem-1962	264	17	https://chemaxon.com/	https://chemaxon.com/	PROPN
eurjchem-1962	265	1	[	[	X
eurjchem-1962	265	2	3	3	NUM
eurjchem-1962	265	3	]	]	PUNCT
eurjchem-1962	265	4	.	.	PUNCT
eurjchem-1962	266	1	cousins	cousin	NOUN
eurjchem-1962	266	2	,	,	PUNCT
eurjchem-1962	266	3	k.	k.	PROPN
eurjchem-1962	266	4	r.	r.	PROPN
eurjchem-1962	266	5	chemdraw	chemdraw	PROPN
eurjchem-1962	266	6	ultra	ultra	ADJ
eurjchem-1962	266	7	12	12	NUM
eurjchem-1962	266	8	.	.	NOUN
eurjchem-1962	266	9	0	0	X
eurjchem-1962	266	10	.	.	PUNCT
eurjchem-1962	267	1	retrieved	retrieve	VERB
eurjchem-1962	267	2	december	december	PROPN
eurjchem-1962	267	3	17	17	NUM
eurjchem-1962	267	4	,	,	PUNCT
eurjchem-1962	267	5	2019	2019	NUM
eurjchem-1962	267	6	from	from	ADP
eurjchem-1962	267	7	https://chemdrawdirect.perkinelmer.cloud/js/sample/index.html	https://chemdrawdirect.perkinelmer.cloud/js/sample/index.html	PROPN
eurjchem-1962	267	8	[	[	X
eurjchem-1962	267	9	4	4	NUM
eurjchem-1962	267	10	]	]	PUNCT
eurjchem-1962	267	11	.	.	PUNCT
eurjchem-1962	268	1	smith	smith	PROPN
eurjchem-1962	268	2	,	,	PUNCT
eurjchem-1962	268	3	t.	t.	PROPN
eurjchem-1962	268	4	j.	j.	PROPN
eurjchem-1962	268	5	j.	j.	PROPN
eurjchem-1962	268	6	mol	mol	PROPN
eurjchem-1962	268	7	.	.	PUNCT
eurjchem-1962	268	8	graphics	graphic	NOUN
eurjchem-1962	268	9	1995	1995	NUM
eurjchem-1962	268	10	,	,	PUNCT
eurjchem-1962	268	11	13(2	13(2	PROPN
eurjchem-1962	268	12	)	)	PUNCT
eurjchem-1962	268	13	,	,	PUNCT
eurjchem-1962	268	14	122	122	NUM
eurjchem-1962	268	15	-	-	SYM
eurjchem-1962	268	16	125	125	NUM
eurjchem-1962	268	17	.	.	PUNCT
eurjchem-1962	269	1	[	[	X
eurjchem-1962	269	2	5	5	NUM
eurjchem-1962	269	3	]	]	PUNCT
eurjchem-1962	269	4	.	.	PUNCT
eurjchem-1962	270	1	lipinski	lipinski	PROPN
eurjchem-1962	270	2	,	,	PUNCT
eurjchem-1962	270	3	c.	c.	PROPN
eurjchem-1962	270	4	a.	a.	PROPN
eurjchem-1962	270	5	;	;	PUNCT
eurjchem-1962	270	6	lombardo	lombardo	PROPN
eurjchem-1962	270	7	,	,	PUNCT
eurjchem-1962	270	8	f.	f.	PROPN
eurjchem-1962	270	9	;	;	PUNCT
eurjchem-1962	270	10	dominy	dominy	PROPN
eurjchem-1962	270	11	,	,	PUNCT
eurjchem-1962	270	12	b.	b.	PROPN
eurjchem-1962	270	13	w.	w.	PROPN
eurjchem-1962	270	14	;	;	PUNCT
eurjchem-1962	270	15	feeney	feeney	PROPN
eurjchem-1962	270	16	,	,	PUNCT
eurjchem-1962	270	17	p.	p.	PROPN
eurjchem-1962	270	18	j.	j.	PROPN
eurjchem-1962	271	1	adv	adv	PROPN
eurjchem-1962	271	2	drug	drug	PROPN
eurjchem-1962	271	3	deliv	deliv	PROPN
eurjchem-1962	271	4	.	.	PUNCT
eurjchem-1962	272	1	rev	rev	PROPN
eurjchem-1962	272	2	.	.	PROPN
eurjchem-1962	272	3	2001	2001	NUM
eurjchem-1962	272	4	,	,	PUNCT
eurjchem-1962	272	5	46(1	46(1	X
eurjchem-1962	272	6	-	-	PUNCT
eurjchem-1962	272	7	3	3	NUM
eurjchem-1962	272	8	)	)	PUNCT
eurjchem-1962	272	9	,	,	PUNCT
eurjchem-1962	272	10	3	3	NUM
eurjchem-1962	272	11	-	-	SYM
eurjchem-1962	272	12	26	26	NUM
eurjchem-1962	272	13	.	.	PUNCT
eurjchem-1962	273	1	[	[	X
eurjchem-1962	273	2	6	6	NUM
eurjchem-1962	273	3	]	]	PUNCT
eurjchem-1962	273	4	.	.	PUNCT
eurjchem-1962	274	1	duffy	duffy	PROPN
eurjchem-1962	274	2	,	,	PUNCT
eurjchem-1962	274	3	f.	f.	PROPN
eurjchem-1962	274	4	j.	j.	PROPN
eurjchem-1962	274	5	;	;	PUNCT
eurjchem-1962	274	6	devocelle	devocelle	ADJ
eurjchem-1962	274	7	m.	m.	NOUN
eurjchem-1962	274	8	;	;	PUNCT
eurjchem-1962	274	9	shields	shield	NOUN
eurjchem-1962	274	10	,	,	PUNCT
eurjchem-1962	274	11	d.	d.	PROPN
eurjchem-1962	274	12	c.	c.	PROPN
eurjchem-1962	274	13	computational	computational	PROPN
eurjchem-1962	274	14	approaches	approach	NOUN
eurjchem-1962	274	15	to	to	ADP
eurjchem-1962	274	16	developing	develop	VERB
eurjchem-1962	274	17	short	short	ADJ
eurjchem-1962	274	18	cyclic	cyclic	ADJ
eurjchem-1962	274	19	peptide	peptide	NOUN
eurjchem-1962	274	20	modulators	modulator	NOUN
eurjchem-1962	274	21	of	of	ADP
eurjchem-1962	274	22	protein	protein	NOUN
eurjchem-1962	274	23	-	-	PUNCT
eurjchem-1962	274	24	protein	protein	NOUN
eurjchem-1962	274	25	interactions	interaction	NOUN
eurjchem-1962	274	26	.	.	PUNCT
eurjchem-1962	275	1	in	in	ADP
eurjchem-1962	275	2	:	:	PUNCT
eurjchem-1962	275	3	zhou	zhou	PROPN
eurjchem-1962	275	4	p.	p.	PROPN
eurjchem-1962	275	5	,	,	PUNCT
eurjchem-1962	275	6	huang	huang	PROPN
eurjchem-1962	275	7	j.	j.	PROPN
eurjchem-1962	275	8	(	(	PUNCT
eurjchem-1962	275	9	eds	eds	PROPN
eurjchem-1962	275	10	)	)	PUNCT
eurjchem-1962	275	11	computational	computational	ADJ
eurjchem-1962	275	12	peptidology	peptidology	NOUN
eurjchem-1962	275	13	.	.	PUNCT
eurjchem-1962	276	1	methods	method	NOUN
eurjchem-1962	276	2	in	in	ADP
eurjchem-1962	276	3	molecular	molecular	ADJ
eurjchem-1962	276	4	biology	biology	NOUN
eurjchem-1962	276	5	,	,	PUNCT
eurjchem-1962	276	6	vol	vol	NOUN
eurjchem-1962	276	7	1268	1268	NUM
eurjchem-1962	276	8	.	.	PUNCT
eurjchem-1962	277	1	humana	humana	PROPN
eurjchem-1962	277	2	press	press	PROPN
eurjchem-1962	277	3	,	,	PUNCT
eurjchem-1962	277	4	new	new	PROPN
eurjchem-1962	277	5	york	york	PROPN
eurjchem-1962	277	6	,	,	PUNCT
eurjchem-1962	277	7	ny	ny	PROPN
eurjchem-1962	277	8	,	,	PUNCT
eurjchem-1962	277	9	2015	2015	NUM
eurjchem-1962	277	10	.	.	PUNCT
eurjchem-1962	278	1	[	[	X
eurjchem-1962	278	2	7	7	NUM
eurjchem-1962	278	3	]	]	PUNCT
eurjchem-1962	278	4	.	.	PUNCT
eurjchem-1962	278	5	silverman	silverman	PROPN
eurjchem-1962	278	6	,	,	PUNCT
eurjchem-1962	278	7	r.	r.	PROPN
eurjchem-1962	278	8	b.	b.	PROPN
eurjchem-1962	278	9	;	;	PUNCT
eurjchem-1962	278	10	holladay	holladay	PROPN
eurjchem-1962	278	11	,	,	PUNCT
eurjchem-1962	278	12	m.	m.	PROPN
eurjchem-1962	278	13	w.	w.	PROPN
eurjchem-1962	278	14	the	the	DET
eurjchem-1962	278	15	organic	organic	ADJ
eurjchem-1962	278	16	chemistry	chemistry	NOUN
eurjchem-1962	278	17	of	of	ADP
eurjchem-1962	278	18	drug	drug	NOUN
eurjchem-1962	278	19	design	design	NOUN
eurjchem-1962	278	20	and	and	CCONJ
eurjchem-1962	278	21	drug	drug	NOUN
eurjchem-1962	278	22	action	action	NOUN
eurjchem-1962	278	23	.	.	PUNCT
eurjchem-1962	279	1	academic	academic	ADJ
eurjchem-1962	279	2	press	press	NOUN
eurjchem-1962	279	3	,	,	PUNCT
eurjchem-1962	279	4	isbn	isbn	ADJ
eurjchem-1962	279	5	978	978	NUM
eurjchem-1962	279	6	-	-	SYM
eurjchem-1962	279	7	0	0	NUM
eurjchem-1962	279	8	-	-	PUNCT
eurjchem-1962	279	9	12	12	NUM
eurjchem-1962	279	10	-	-	PUNCT
eurjchem-1962	279	11	382030	382030	NUM
eurjchem-1962	279	12	-	-	PUNCT
eurjchem-1962	279	13	3	3	NUM
eurjchem-1962	279	14	,	,	PUNCT
eurjchem-1962	279	15	2016	2016	NUM
eurjchem-1962	279	16	.	.	PUNCT
eurjchem-1962	280	1	[	[	X
eurjchem-1962	280	2	8	8	NUM
eurjchem-1962	280	3	]	]	PUNCT
eurjchem-1962	280	4	.	.	PUNCT
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eurjchem-1962	281	2	,	,	PUNCT
eurjchem-1962	281	3	j.	j.	PROPN
eurjchem-1962	281	4	computational	computational	ADJ
eurjchem-1962	281	5	chemistry	chemistry	NOUN
eurjchem-1962	281	6	in	in	ADP
eurjchem-1962	281	7	predictive	predictive	ADJ
eurjchem-1962	281	8	toxicology	toxicology	NOUN
eurjchem-1962	281	9	:	:	PUNCT
eurjchem-1962	281	10	status	status	NOUN
eurjchem-1962	281	11	quo	quo	PROPN
eurjchem-1962	281	12	et	et	NOUN
eurjchem-1962	281	13	quo	quo	NOUN
eurjchem-1962	281	14	vadis	vadis	PROPN
eurjchem-1962	281	15	?	?	PUNCT
eurjchem-1962	282	1	in	in	ADP
eurjchem-1962	282	2	advances	advance	NOUN
eurjchem-1962	282	3	in	in	ADP
eurjchem-1962	282	4	molecular	molecular	ADJ
eurjchem-1962	282	5	toxicology	toxicology	NOUN
eurjchem-1962	282	6	,	,	PUNCT
eurjchem-1962	282	7	ed	ed	NOUN
eurjchem-1962	282	8	.	.	PUNCT
eurjchem-1962	283	1	j.	j.	PROPN
eurjchem-1962	283	2	fishbein	fishbein	PROPN
eurjchem-1962	283	3	,	,	PUNCT
eurjchem-1962	283	4	elsevier	elsevier	PROPN
eurjchem-1962	283	5	,	,	PUNCT
eurjchem-1962	283	6	san	san	PROPN
eurjchem-1962	283	7	diego	diego	PROPN
eurjchem-1962	283	8	,	,	PUNCT
eurjchem-1962	283	9	2016	2016	NUM
eurjchem-1962	283	10	,	,	PUNCT
eurjchem-1962	283	11	vol	vol	NOUN
eurjchem-1962	283	12	.	.	PROPN
eurjchem-1962	283	13	10	10	NUM
eurjchem-1962	283	14	,	,	PUNCT
eurjchem-1962	283	15	pp	pp	ADJ
eurjchem-1962	283	16	.	.	PUNCT
eurjchem-1962	284	1	139	139	NUM
eurjchem-1962	284	2	-	-	SYM
eurjchem-1962	284	3	186	186	NUM
eurjchem-1962	284	4	.	.	PUNCT
eurjchem-1962	285	1	[	[	X
eurjchem-1962	285	2	9	9	NUM
eurjchem-1962	285	3	]	]	PUNCT
eurjchem-1962	285	4	.	.	PUNCT
eurjchem-1962	285	5	ertl	ertl	PROPN
eurjchem-1962	285	6	,	,	PUNCT
eurjchem-1962	285	7	p.	p.	PROPN
eurjchem-1962	285	8	;	;	PUNCT
eurjchem-1962	285	9	rohde	rohde	PROPN
eurjchem-1962	285	10	,	,	PUNCT
eurjchem-1962	285	11	b.	b.	PROPN
eurjchem-1962	285	12	;	;	PUNCT
eurjchem-1962	285	13	selzer	selzer	PROPN
eurjchem-1962	285	14	,	,	PUNCT
eurjchem-1962	285	15	p.	p.	PROPN
eurjchem-1962	285	16	j.	j.	PROPN
eurjchem-1962	285	17	med	med	PROPN
eurjchem-1962	285	18	.	.	PROPN
eurjchem-1962	285	19	chem	chem	PROPN
eurjchem-1962	285	20	.	.	PUNCT
eurjchem-1962	286	1	2000	2000	NUM
eurjchem-1962	286	2	,	,	PUNCT
eurjchem-1962	286	3	43(20	43(20	NUM
eurjchem-1962	286	4	)	)	PUNCT
eurjchem-1962	286	5	,	,	PUNCT
eurjchem-1962	286	6	3714	3714	NUM
eurjchem-1962	286	7	-	-	SYM
eurjchem-1962	286	8	3717	3717	NUM
eurjchem-1962	286	9	.	.	PUNCT
eurjchem-1962	287	1	[	[	X
eurjchem-1962	287	2	10	10	NUM
eurjchem-1962	287	3	]	]	PUNCT
eurjchem-1962	287	4	.	.	PUNCT
eurjchem-1962	288	1	edwards	edwards	PROPN
eurjchem-1962	288	2	,	,	PUNCT
eurjchem-1962	288	3	r.	r.	PROPN
eurjchem-1962	288	4	a.	a.	PROPN
eurjchem-1962	288	5	;	;	PUNCT
eurjchem-1962	288	6	olsen	olsen	PROPN
eurjchem-1962	288	7	,	,	PUNCT
eurjchem-1962	288	8	g.	g.	PROPN
eurjchem-1962	288	9	j.	j.	PROPN
eurjchem-1962	288	10	;	;	PUNCT
eurjchem-1962	288	11	maloy	maloy	PROPN
eurjchem-1962	288	12	,	,	PUNCT
eurjchem-1962	288	13	s.	s.	PROPN
eurjchem-1962	288	14	r.	r.	PROPN
eurjchem-1962	288	15	trends	trends	PROPN
eurjchem-1962	288	16	microbiol	microbiol	PROPN
eurjchem-1962	288	17	.	.	PUNCT
eurjchem-1962	289	1	2002	2002	NUM
eurjchem-1962	289	2	,	,	PUNCT
eurjchem-1962	289	3	10(2	10(2	NUM
eurjchem-1962	289	4	)	)	PUNCT
eurjchem-1962	289	5	,	,	PUNCT
eurjchem-1962	289	6	94	94	NUM
eurjchem-1962	289	7	-	-	SYM
eurjchem-1962	289	8	99	99	NUM
eurjchem-1962	289	9	.	.	PUNCT
eurjchem-1962	290	1	[	[	X
eurjchem-1962	290	2	11	11	NUM
eurjchem-1962	290	3	]	]	PUNCT
eurjchem-1962	290	4	.	.	PUNCT
eurjchem-1962	291	1	murtaza	murtaza	PROPN
eurjchem-1962	291	2	,	,	PUNCT
eurjchem-1962	291	3	s.	s.	PROPN
eurjchem-1962	291	4	;	;	PUNCT
eurjchem-1962	291	5	altaf	altaf	PROPN
eurjchem-1962	291	6	,	,	PUNCT
eurjchem-1962	291	7	a.	a.	NOUN
eurjchem-1962	291	8	a.	a.	NOUN
eurjchem-1962	291	9	;	;	PUNCT
eurjchem-1962	291	10	hamayun	hamayun	NOUN
eurjchem-1962	291	11	,	,	PUNCT
eurjchem-1962	291	12	m.	m.	NOUN
eurjchem-1962	291	13	;	;	PUNCT
eurjchem-1962	291	14	iftikhar	iftikhar	PROPN
eurjchem-1962	291	15	,	,	PUNCT
eurjchem-1962	291	16	k.	k.	PROPN
eurjchem-1962	291	17	;	;	PUNCT
eurjchem-1962	291	18	tahir	tahir	PROPN
eurjchem-1962	291	19	,	,	PUNCT
eurjchem-1962	291	20	m.	m.	NOUN
eurjchem-1962	291	21	n.	n.	PROPN
eurjchem-1962	291	22	;	;	PUNCT
eurjchem-1962	291	23	tariq	tariq	PROPN
eurjchem-1962	291	24	,	,	PUNCT
eurjchem-1962	291	25	j.	j.	PROPN
eurjchem-1962	291	26	;	;	PUNCT
eurjchem-1962	291	27	faiz	faiz	PROPN
eurjchem-1962	291	28	,	,	PUNCT
eurjchem-1962	291	29	k.	k.	PROPN
eurjchem-1962	291	30	eur	eur	PROPN
eurjchem-1962	291	31	.	.	PUNCT
eurjchem-1962	292	1	j.	j.	PROPN
eurjchem-1962	292	2	chem	chem	PROPN
eurjchem-1962	292	3	.	.	PUNCT
eurjchem-1962	293	1	2019	2019	NUM
eurjchem-1962	293	2	,	,	PUNCT
eurjchem-1962	293	3	10(4	10(4	NUM
eurjchem-1962	293	4	)	)	PUNCT
eurjchem-1962	293	5	,	,	PUNCT
eurjchem-1962	293	6	358	358	NUM
eurjchem-1962	293	7	-	-	SYM
eurjchem-1962	293	8	366	366	NUM
eurjchem-1962	293	9	.	.	PUNCT
eurjchem-1962	294	1	[	[	X
eurjchem-1962	294	2	12	12	NUM
eurjchem-1962	294	3	]	]	PUNCT
eurjchem-1962	294	4	.	.	PUNCT
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eurjchem-1962	295	2	,	,	PUNCT
eurjchem-1962	295	3	m.	m.	NOUN
eurjchem-1962	295	4	calculation	calculation	NOUN
eurjchem-1962	295	5	of	of	ADP
eurjchem-1962	295	6	molecular	molecular	ADJ
eurjchem-1962	295	7	properties	property	NOUN
eurjchem-1962	295	8	and	and	CCONJ
eurjchem-1962	295	9	bioactivity	bioactivity	NOUN
eurjchem-1962	295	10	score	score	NOUN
eurjchem-1962	295	11	,	,	PUNCT
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eurjchem-1962	295	13	november	november	PROPN
eurjchem-1962	295	14	26	26	NUM
eurjchem-1962	295	15	,	,	PUNCT
eurjchem-1962	295	16	2019	2019	NUM
eurjchem-1962	295	17	,	,	PUNCT
eurjchem-1962	295	18	from	from	ADP
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eurjchem-1962	295	20	[	[	X
eurjchem-1962	295	21	13	13	NUM
eurjchem-1962	295	22	]	]	PUNCT
eurjchem-1962	295	23	.	.	PUNCT
eurjchem-1962	296	1	norinder	norinder	PROPN
eurjchem-1962	296	2	,	,	PUNCT
eurjchem-1962	296	3	u.	u.	PROPN
eurjchem-1962	296	4	;	;	PUNCT
eurjchem-1962	296	5	bergstrom	bergstrom	PROPN
eurjchem-1962	296	6	,	,	PUNCT
eurjchem-1962	296	7	c.	c.	PROPN
eurjchem-1962	296	8	a.	a.	PROPN
eurjchem-1962	296	9	chemmedchem	chemmedchem	PROPN
eurjchem-1962	296	10	2006	2006	NUM
eurjchem-1962	296	11	,	,	PUNCT
eurjchem-1962	296	12	1(9	1(9	NUM
eurjchem-1962	296	13	)	)	PUNCT
eurjchem-1962	296	14	,	,	PUNCT
eurjchem-1962	296	15	920	920	NUM
eurjchem-1962	296	16	-	-	SYM
eurjchem-1962	296	17	937	937	NUM
eurjchem-1962	296	18	.	.	PUNCT
eurjchem-1962	297	1	[	[	X
eurjchem-1962	297	2	14	14	NUM
eurjchem-1962	297	3	]	]	PUNCT
eurjchem-1962	297	4	.	.	PUNCT
eurjchem-1962	297	5	veber	veber	PROPN
eurjchem-1962	297	6	,	,	PUNCT
eurjchem-1962	297	7	d.	d.	PROPN
eurjchem-1962	297	8	f.	f.	PROPN
eurjchem-1962	297	9	;	;	PUNCT
eurjchem-1962	297	10	johnson	johnson	PROPN
eurjchem-1962	297	11	,	,	PUNCT
eurjchem-1962	297	12	s.	s.	PROPN
eurjchem-1962	297	13	r.	r.	PROPN
eurjchem-1962	297	14	;	;	PUNCT
eurjchem-1962	298	1	cheng	cheng	PROPN
eurjchem-1962	298	2	,	,	PUNCT
eurjchem-1962	298	3	h.	h.	PROPN
eurjchem-1962	298	4	y.	y.	PROPN
eurjchem-1962	298	5	;	;	PUNCT
eurjchem-1962	298	6	smith	smith	PROPN
eurjchem-1962	298	7	,	,	PUNCT
eurjchem-1962	298	8	b.	b.	PROPN
eurjchem-1962	298	9	r.	r.	PROPN
eurjchem-1962	298	10	;	;	PUNCT
eurjchem-1962	298	11	ward	ward	PROPN
eurjchem-1962	298	12	,	,	PUNCT
eurjchem-1962	298	13	k.	k.	PROPN
eurjchem-1962	298	14	w.	w.	PROPN
eurjchem-1962	298	15	;	;	PUNCT
eurjchem-1962	298	16	kopple	kopple	PROPN
eurjchem-1962	298	17	,	,	PUNCT
eurjchem-1962	298	18	k.	k.	PROPN
eurjchem-1962	298	19	d.	d.	PROPN
eurjchem-1962	298	20	j.	j.	PROPN
eurjchem-1962	298	21	med	med	PROPN
eurjchem-1962	298	22	.	.	PROPN
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eurjchem-1962	298	24	.	.	PUNCT
eurjchem-1962	299	1	2002	2002	NUM
eurjchem-1962	299	2	,	,	PUNCT
eurjchem-1962	299	3	45(12	45(12	NUM
eurjchem-1962	299	4	)	)	PUNCT
eurjchem-1962	299	5	,	,	PUNCT
eurjchem-1962	299	6	2615	2615	NUM
eurjchem-1962	299	7	-	-	SYM
eurjchem-1962	299	8	2623	2623	NUM
eurjchem-1962	299	9	.	.	PUNCT
eurjchem-1962	300	1	[	[	X
eurjchem-1962	300	2	15	15	NUM
eurjchem-1962	300	3	]	]	PUNCT
eurjchem-1962	300	4	.	.	PUNCT
eurjchem-1962	300	5	ritchie	ritchie	PROPN
eurjchem-1962	300	6	,	,	PUNCT
eurjchem-1962	300	7	t.	t.	PROPN
eurjchem-1962	300	8	j.	j.	PROPN
eurjchem-1962	300	9	;	;	PUNCT
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eurjchem-1962	300	11	,	,	PUNCT
eurjchem-1962	300	12	s.	s.	PROPN
eurjchem-1962	300	13	j.	j.	PROPN
eurjchem-1962	300	14	;	;	PUNCT
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eurjchem-1962	300	16	,	,	PUNCT
eurjchem-1962	300	17	s.	s.	PROPN
eurjchem-1962	300	18	;	;	PUNCT
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eurjchem-1962	300	20	,	,	PUNCT
eurjchem-1962	300	21	s.	s.	PROPN
eurjchem-1962	300	22	d.	d.	PROPN
eurjchem-1962	300	23	;	;	PUNCT
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eurjchem-1962	300	25	,	,	PUNCT
eurjchem-1962	300	26	c.	c.	PROPN
eurjchem-1962	300	27	n.	n.	PROPN
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eurjchem-1962	300	29	.	.	PROPN
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eurjchem-1962	300	31	.	.	PUNCT
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eurjchem-1962	301	2	.	.	PUNCT
eurjchem-1962	302	1	2013	2013	NUM
eurjchem-1962	302	2	,	,	PUNCT
eurjchem-1962	302	3	4(4	4(4	NUM
eurjchem-1962	302	4	)	)	PUNCT
eurjchem-1962	302	5	,	,	PUNCT
eurjchem-1962	302	6	673	673	NUM
eurjchem-1962	302	7	-	-	SYM
eurjchem-1962	302	8	680	680	NUM
eurjchem-1962	302	9	.	.	PUNCT
eurjchem-1962	303	1	[	[	X
eurjchem-1962	303	2	16	16	NUM
eurjchem-1962	303	3	]	]	PUNCT
eurjchem-1962	303	4	.	.	PUNCT
eurjchem-1962	304	1	thakker	thakker	PROPN
eurjchem-1962	304	2	,	,	PUNCT
eurjchem-1962	304	3	d.	d.	PROPN
eurjchem-1962	304	4	r.	r.	PROPN
eurjchem-1962	304	5	;	;	PUNCT
eurjchem-1962	304	6	hoyer	hoyer	PROPN
eurjchem-1962	304	7	,	,	PUNCT
eurjchem-1962	304	8	d.	d.	PROPN
eurjchem-1962	304	9	;	;	PUNCT
eurjchem-1962	304	10	cryan	cryan	PROPN
eurjchem-1962	304	11	,	,	PUNCT
eurjchem-1962	304	12	j.	j.	PROPN
eurjchem-1962	304	13	f.	f.	PROPN
eurjchem-1962	304	14	pharmacol	pharmacol	PROPN
eurjchem-1962	304	15	.	.	PUNCT
eurjchem-1962	305	1	therapeut	therapeut	PROPN
eurjchem-1962	305	2	.	.	PUNCT
eurjchem-1962	306	1	2006	2006	NUM
eurjchem-1962	306	2	,	,	PUNCT
eurjchem-1962	306	3	109(3	109(3	NUM
eurjchem-1962	306	4	)	)	PUNCT
eurjchem-1962	306	5	,	,	PUNCT
eurjchem-1962	306	6	413	413	NUM
eurjchem-1962	306	7	-	-	SYM
eurjchem-1962	306	8	438	438	NUM
eurjchem-1962	306	9	.	.	PUNCT
eurjchem-1962	307	1	[	[	X
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eurjchem-1962	307	3	]	]	PUNCT
eurjchem-1962	307	4	.	.	PUNCT
eurjchem-1962	308	1	alavijeh	alavijeh	PROPN
eurjchem-1962	308	2	,	,	PUNCT
eurjchem-1962	308	3	m.	m.	PROPN
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eurjchem-1962	308	5	;	;	PUNCT
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eurjchem-1962	308	7	,	,	PUNCT
eurjchem-1962	308	8	m.	m.	NOUN
eurjchem-1962	308	9	;	;	PUNCT
eurjchem-1962	308	10	qaiser	qaiser	NOUN
eurjchem-1962	308	11	,	,	PUNCT
eurjchem-1962	308	12	m.	m.	NOUN
eurjchem-1962	308	13	z.	z.	PROPN
eurjchem-1962	308	14	;	;	PUNCT
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eurjchem-1962	308	16	,	,	PUNCT
eurjchem-1962	308	17	a.	a.	PROPN
eurjchem-1962	308	18	m.	m.	PROPN
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eurjchem-1962	308	20	2005	2005	NUM
eurjchem-1962	308	21	,	,	PUNCT
eurjchem-1962	308	22	2(4	2(4	NUM
eurjchem-1962	308	23	)	)	PUNCT
eurjchem-1962	308	24	,	,	PUNCT
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eurjchem-1962	308	26	-	-	SYM
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eurjchem-1962	308	28	.	.	PUNCT
eurjchem-1962	309	1	[	[	X
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eurjchem-1962	309	3	]	]	SYM
eurjchem-1962	309	4	.	.	PUNCT
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eurjchem-1962	309	6	,	,	PUNCT
eurjchem-1962	309	7	k.	k.	PROPN
eurjchem-1962	309	8	h.	h.	PROPN
eurjchem-1962	309	9	;	;	PUNCT
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eurjchem-1962	309	11	,	,	PUNCT
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eurjchem-1962	309	13	;	;	PUNCT
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eurjchem-1962	309	15	,	,	PUNCT
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eurjchem-1962	309	17	;	;	PUNCT
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eurjchem-1962	309	19	,	,	PUNCT
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eurjchem-1962	309	21	j.	j.	PROPN
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eurjchem-1962	309	23	res	res	PROPN
eurjchem-1962	309	24	.	.	PUNCT
eurjchem-1962	309	25	1999	1999	NUM
eurjchem-1962	309	26	,	,	PUNCT
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eurjchem-1962	309	28	,	,	PUNCT
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eurjchem-1962	309	30	-	-	SYM
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eurjchem-1962	309	32	.	.	PUNCT
eurjchem-1962	310	1	[	[	X
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eurjchem-1962	310	3	]	]	PUNCT
eurjchem-1962	310	4	.	.	PUNCT
eurjchem-1962	311	1	kwon	kwon	PROPN
eurjchem-1962	311	2	,	,	PUNCT
eurjchem-1962	311	3	y.	y.	PROPN
eurjchem-1962	311	4	,	,	PUNCT
eurjchem-1962	311	5	handbook	handbook	NOUN
eurjchem-1962	311	6	of	of	ADP
eurjchem-1962	311	7	essential	essential	ADJ
eurjchem-1962	311	8	pharmacokinetics	pharmacokinetic	NOUN
eurjchem-1962	311	9	,	,	PUNCT
eurjchem-1962	311	10	pharmacodynamics	pharmacodynamic	NOUN
eurjchem-1962	311	11	and	and	CCONJ
eurjchem-1962	311	12	drug	drug	NOUN
eurjchem-1962	311	13	metabolism	metabolism	NOUN
eurjchem-1962	311	14	for	for	ADP
eurjchem-1962	311	15	industrial	industrial	ADJ
eurjchem-1962	311	16	scientists	scientist	NOUN
eurjchem-1962	311	17	.	.	PUNCT
eurjchem-1962	312	1	new	new	PROPN
eurjchem-1962	312	2	york	york	PROPN
eurjchem-1962	312	3	:	:	PUNCT
eurjchem-1962	312	4	kluwer	kluwer	PROPN
eurjchem-1962	312	5	academic	academic	PROPN
eurjchem-1962	312	6	/	/	SYM
eurjchem-1962	312	7	plenum	plenum	NOUN
eurjchem-1962	312	8	publishers	publisher	NOUN
eurjchem-1962	312	9	,	,	PUNCT
eurjchem-1962	312	10	2001	2001	NUM
eurjchem-1962	312	11	.	.	PUNCT
eurjchem-1962	313	1	[	[	X
eurjchem-1962	313	2	20	20	NUM
eurjchem-1962	313	3	]	]	PUNCT
eurjchem-1962	313	4	.	.	PUNCT
eurjchem-1962	314	1	jiang	jiang	PROPN
eurjchem-1962	314	2	,	,	PUNCT
eurjchem-1962	314	3	p.	p.	PROPN
eurjchem-1962	314	4	;	;	PUNCT
eurjchem-1962	314	5	li	li	PROPN
eurjchem-1962	314	6	,	,	PUNCT
eurjchem-1962	314	7	q.	q.	PROPN
eurjchem-1962	314	8	;	;	PUNCT
eurjchem-1962	314	9	lu	lu	PROPN
eurjchem-1962	314	10	,	,	PUNCT
eurjchem-1962	314	11	j.	j.	PROPN
eurjchem-1962	314	12	iop	iop	PROPN
eurjchem-1962	314	13	conf	conf	PROPN
eurjchem-1962	314	14	.	.	PUNCT
eurjchem-1962	315	1	ser	ser	PROPN
eurjchem-1962	315	2	.	.	PUNCT
eurjchem-1962	315	3	:	:	PUNCT
eurjchem-1962	316	1	earth	earth	PROPN
eurjchem-1962	316	2	environ	environ	X
eurjchem-1962	316	3	.	.	PUNCT
eurjchem-1962	317	1	sci	sci	PROPN
eurjchem-1962	317	2	.	.	PROPN
eurjchem-1962	317	3	2018	2018	NUM
eurjchem-1962	317	4	,	,	PUNCT
eurjchem-1962	317	5	178	178	NUM
eurjchem-1962	317	6	,	,	PUNCT
eurjchem-1962	317	7	012020	012020	NUM
eurjchem-1962	317	8	.	.	PUNCT
eurjchem-1962	318	1	[	[	X
eurjchem-1962	318	2	21	21	NUM
eurjchem-1962	318	3	]	]	PUNCT
eurjchem-1962	318	4	.	.	PUNCT
eurjchem-1962	319	1	kerns	kerns	PROPN
eurjchem-1962	319	2	,	,	PUNCT
eurjchem-1962	319	3	e.	e.	PROPN
eurjchem-1962	319	4	h.	h.	PROPN
eurjchem-1962	319	5	;	;	PUNCT
eurjchem-1962	319	6	di	di	PROPN
eurjchem-1962	319	7	,	,	PUNCT
eurjchem-1962	319	8	l.	l.	PROPN
eurjchem-1962	319	9	,	,	PUNCT
eurjchem-1962	319	10	drug	drug	NOUN
eurjchem-1962	319	11	-	-	PUNCT
eurjchem-1962	319	12	like	like	ADJ
eurjchem-1962	319	13	properties	property	NOUN
eurjchem-1962	319	14	:	:	PUNCT
eurjchem-1962	319	15	concepts	concept	NOUN
eurjchem-1962	319	16	,	,	PUNCT
eurjchem-1962	319	17	structure	structure	NOUN
eurjchem-1962	319	18	design	design	NOUN
eurjchem-1962	319	19	and	and	CCONJ
eurjchem-1962	319	20	methods	method	NOUN
eurjchem-1962	319	21	from	from	ADP
eurjchem-1962	319	22	adme	adme	NOUN
eurjchem-1962	319	23	to	to	ADP
eurjchem-1962	319	24	toxicity	toxicity	NOUN
eurjchem-1962	319	25	optimization	optimization	NOUN
eurjchem-1962	319	26	,	,	PUNCT
eurjchem-1962	319	27	academic	academic	ADJ
eurjchem-1962	319	28	press	press	NOUN
eurjchem-1962	319	29	,	,	PUNCT
eurjchem-1962	319	30	isbn	isbn	ADJ
eurjchem-1962	319	31	978	978	NUM
eurjchem-1962	319	32	-	-	SYM
eurjchem-1962	319	33	0	0	NUM
eurjchem-1962	319	34	-	-	PUNCT
eurjchem-1962	319	35	12	12	NUM
eurjchem-1962	319	36	-	-	PUNCT
eurjchem-1962	319	37	369520	369520	NUM
eurjchem-1962	319	38	-	-	SYM
eurjchem-1962	319	39	8	8	NUM
eurjchem-1962	319	40	,	,	PUNCT
eurjchem-1962	319	41	2008	2008	NUM
eurjchem-1962	319	42	.	.	PUNCT
eurjchem-1962	320	1	[	[	X
eurjchem-1962	320	2	22	22	NUM
eurjchem-1962	320	3	]	]	PUNCT
eurjchem-1962	320	4	.	.	PUNCT
eurjchem-1962	321	1	manallack	manallack	PROPN
eurjchem-1962	321	2	,	,	PUNCT
eurjchem-1962	321	3	d.	d.	PROPN
eurjchem-1962	321	4	t.	t.	PROPN
eurjchem-1962	321	5	perspec	perspec	PROPN
eurjchem-1962	321	6	.	.	PUNCT
eurjchem-1962	322	1	med	med	PROPN
eurjchem-1962	322	2	.	.	PROPN
eurjchem-1962	322	3	chem	chem	PROPN
eurjchem-1962	322	4	.	.	PUNCT
eurjchem-1962	323	1	2007	2007	NUM
eurjchem-1962	323	2	,	,	PUNCT
eurjchem-1962	323	3	1	1	NUM
eurjchem-1962	323	4	,	,	PUNCT
eurjchem-1962	323	5	25	25	NUM
eurjchem-1962	323	6	-	-	SYM
eurjchem-1962	323	7	48	48	NUM
eurjchem-1962	323	8	.	.	PUNCT
eurjchem-1962	324	1	[	[	X
eurjchem-1962	324	2	23	23	NUM
eurjchem-1962	324	3	]	]	PUNCT
eurjchem-1962	324	4	.	.	PUNCT
eurjchem-1962	325	1	irwin	irwin	PROPN
eurjchem-1962	325	2	,	,	PUNCT
eurjchem-1962	325	3	j.	j.	PROPN
eurjchem-1962	325	4	j.	j.	PROPN
eurjchem-1962	325	5	;	;	PUNCT
eurjchem-1962	325	6	shoichet	shoichet	PROPN
eurjchem-1962	325	7	,	,	PUNCT
eurjchem-1962	325	8	b.	b.	PROPN
eurjchem-1962	325	9	k.	k.	PROPN
eurjchem-1962	325	10	j.	j.	PROPN
eurjchem-1962	325	11	chem	chem	PROPN
eurjchem-1962	325	12	.	.	PUNCT
eurjchem-1962	326	1	inform	inform	NOUN
eurjchem-1962	326	2	.	.	PUNCT
eurjchem-1962	327	1	model	model	NOUN
eurjchem-1962	327	2	.	.	PUNCT
eurjchem-1962	328	1	2005	2005	NUM
eurjchem-1962	328	2	,	,	PUNCT
eurjchem-1962	328	3	45(1	45(1	NOUN
eurjchem-1962	328	4	)	)	PUNCT
eurjchem-1962	328	5	,	,	PUNCT
eurjchem-1962	328	6	177	177	NUM
eurjchem-1962	328	7	-	-	SYM
eurjchem-1962	328	8	182	182	NUM
eurjchem-1962	328	9	.	.	PUNCT
eurjchem-1962	329	1	[	[	X
eurjchem-1962	329	2	24	24	NUM
eurjchem-1962	329	3	]	]	PUNCT
eurjchem-1962	329	4	.	.	PUNCT
eurjchem-1962	330	1	van	van	PROPN
eurjchem-1962	330	2	de	de	PROPN
eurjchem-1962	330	3	waterbeemd	waterbeemd	PROPN
eurjchem-1962	330	4	,	,	PUNCT
eurjchem-1962	330	5	h.	h.	PROPN
eurjchem-1962	330	6	;	;	PUNCT
eurjchem-1962	330	7	smith	smith	PROPN
eurjchem-1962	330	8	,	,	PUNCT
eurjchem-1962	330	9	d.	d.	PROPN
eurjchem-1962	330	10	a.	a.	PROPN
eurjchem-1962	330	11	;	;	PUNCT
eurjchem-1962	330	12	beaumont	beaumont	PROPN
eurjchem-1962	330	13	,	,	PUNCT
eurjchem-1962	330	14	k.	k.	PROPN
eurjchem-1962	330	15	;	;	PUNCT
eurjchem-1962	330	16	walker	walker	PROPN
eurjchem-1962	330	17	,	,	PUNCT
eurjchem-1962	330	18	d.	d.	PROPN
eurjchem-1962	330	19	k.	k.	PROPN
eurjchem-1962	331	1	j.	j.	PROPN
eurjchem-1962	331	2	med	med	PROPN
eurjchem-1962	331	3	.	.	PROPN
eurjchem-1962	331	4	chem	chem	PROPN
eurjchem-1962	331	5	.	.	PUNCT
eurjchem-1962	332	1	2001	2001	NUM
eurjchem-1962	332	2	,	,	PUNCT
eurjchem-1962	332	3	44(9	44(9	NOUN
eurjchem-1962	332	4	)	)	PUNCT
eurjchem-1962	332	5	,	,	PUNCT
eurjchem-1962	332	6	1313	1313	NUM
eurjchem-1962	332	7	-	-	SYM
eurjchem-1962	332	8	1333	1333	NUM
eurjchem-1962	332	9	.	.	PUNCT
eurjchem-1962	333	1	[	[	X
eurjchem-1962	333	2	25	25	NUM
eurjchem-1962	333	3	]	]	PUNCT
eurjchem-1962	333	4	.	.	PUNCT
eurjchem-1962	334	1	chan	chan	PROPN
eurjchem-1962	334	2	,	,	PUNCT
eurjchem-1962	334	3	o.	o.	PROPN
eurjchem-1962	334	4	h.	h.	PROPN
eurjchem-1962	334	5	;	;	PUNCT
eurjchem-1962	334	6	stewart	stewart	PROPN
eurjchem-1962	334	7	,	,	PUNCT
eurjchem-1962	334	8	b.	b.	PROPN
eurjchem-1962	334	9	h.	h.	PROPN
eurjchem-1962	334	10	drug	drug	PROPN
eurjchem-1962	334	11	discov	discov	PROPN
eurjchem-1962	334	12	.	.	PUNCT
eurjchem-1962	335	1	today	today	NOUN
eurjchem-1962	335	2	1996	1996	NUM
eurjchem-1962	335	3	,	,	PUNCT
eurjchem-1962	335	4	1(11	1(11	NUM
eurjchem-1962	335	5	)	)	PUNCT
eurjchem-1962	335	6	,	,	PUNCT
eurjchem-1962	335	7	461	461	NUM
eurjchem-1962	335	8	-	-	SYM
eurjchem-1962	335	9	473	473	NUM
eurjchem-1962	335	10	.	.	PUNCT
eurjchem-1962	336	1	[	[	X
eurjchem-1962	336	2	26	26	NUM
eurjchem-1962	336	3	]	]	PUNCT
eurjchem-1962	336	4	.	.	PUNCT
eurjchem-1962	337	1	harris	harris	PROPN
eurjchem-1962	337	2	,	,	PUNCT
eurjchem-1962	337	3	d.	d.	PROPN
eurjchem-1962	337	4	a.	a.	PROPN
eurjchem-1962	337	5	trends	trends	PROPN
eurjchem-1962	337	6	biochem	biochem	PROPN
eurjchem-1962	337	7	.	.	PUNCT
eurjchem-1962	338	1	sci	sci	PROPN
eurjchem-1962	338	2	.	.	PROPN
eurjchem-1962	338	3	1993	1993	NUM
eurjchem-1962	338	4	,	,	PUNCT
eurjchem-1962	338	5	18(9	18(9	NOUN
eurjchem-1962	338	6	)	)	PUNCT
eurjchem-1962	338	7	,	,	PUNCT
eurjchem-1962	338	8	354	354	NUM
eurjchem-1962	338	9	.	.	PUNCT
eurjchem-1962	339	1	[	[	X
eurjchem-1962	339	2	27	27	NUM
eurjchem-1962	339	3	]	]	PUNCT
eurjchem-1962	339	4	.	.	PUNCT
eurjchem-1962	340	1	baell	baell	PROPN
eurjchem-1962	340	2	,	,	PUNCT
eurjchem-1962	340	3	j.	j.	PROPN
eurjchem-1962	340	4	b.	b.	PROPN
eurjchem-1962	340	5	;	;	PUNCT
eurjchem-1962	340	6	holloway	holloway	PROPN
eurjchem-1962	340	7	,	,	PUNCT
eurjchem-1962	340	8	g.	g.	PROPN
eurjchem-1962	340	9	a.	a.	PROPN
eurjchem-1962	340	10	j.	j.	PROPN
eurjchem-1962	340	11	med	med	PROPN
eurjchem-1962	340	12	.	.	PROPN
eurjchem-1962	340	13	chem	chem	PROPN
eurjchem-1962	340	14	.	.	PUNCT
eurjchem-1962	341	1	2010	2010	NUM
eurjchem-1962	341	2	,	,	PUNCT
eurjchem-1962	341	3	53(7	53(7	NUM
eurjchem-1962	341	4	)	)	PUNCT
eurjchem-1962	341	5	,	,	PUNCT
eurjchem-1962	341	6	2719	2719	NUM
eurjchem-1962	341	7	-	-	SYM
eurjchem-1962	341	8	2740	2740	NUM
eurjchem-1962	341	9	.	.	PUNCT
eurjchem-1962	342	1	[	[	X
eurjchem-1962	342	2	28	28	NUM
eurjchem-1962	342	3	]	]	PUNCT
eurjchem-1962	342	4	.	.	PUNCT
eurjchem-1962	343	1	daina	daina	PROPN
eurjchem-1962	343	2	,	,	PUNCT
eurjchem-1962	343	3	a.	a.	PROPN
eurjchem-1962	343	4	;	;	PUNCT
eurjchem-1962	343	5	michielin	michielin	PROPN
eurjchem-1962	343	6	,	,	PUNCT
eurjchem-1962	343	7	o.	o.	PROPN
eurjchem-1962	343	8	;	;	PUNCT
eurjchem-1962	343	9	zoete	zoete	PROPN
eurjchem-1962	343	10	,	,	PUNCT
eurjchem-1962	343	11	v.	v.	PROPN
eurjchem-1962	343	12	sci	sci	PROPN
eurjchem-1962	343	13	.	.	PUNCT
eurjchem-1962	343	14	reports	report	VERB
eurjchem-1962	343	15	2017	2017	NUM
eurjchem-1962	343	16	,	,	PUNCT
eurjchem-1962	343	17	7	7	NUM
eurjchem-1962	343	18	,	,	PUNCT
eurjchem-1962	343	19	42717	42717	NUM
eurjchem-1962	343	20	.	.	PUNCT
eurjchem-1962	344	1	[	[	X
eurjchem-1962	344	2	29	29	NUM
eurjchem-1962	344	3	]	]	PUNCT
eurjchem-1962	344	4	.	.	PUNCT
eurjchem-1962	345	1	yang	yang	PROPN
eurjchem-1962	345	2	,	,	PUNCT
eurjchem-1962	345	3	h.	h.	PROPN
eurjchem-1962	345	4	;	;	PUNCT
eurjchem-1962	345	5	lou	lou	PROPN
eurjchem-1962	345	6	,	,	PUNCT
eurjchem-1962	345	7	c.	c.	PROPN
eurjchem-1962	345	8	;	;	PUNCT
eurjchem-1962	345	9	sun	sun	PROPN
eurjchem-1962	345	10	,	,	PUNCT
eurjchem-1962	345	11	l.	l.	PROPN
eurjchem-1962	345	12	;	;	PUNCT
eurjchem-1962	345	13	li	li	PROPN
eurjchem-1962	345	14	,	,	PUNCT
eurjchem-1962	345	15	j.	j.	PROPN
eurjchem-1962	345	16	;	;	PUNCT
eurjchem-1962	345	17	cai	cai	PROPN
eurjchem-1962	345	18	,	,	PUNCT
eurjchem-1962	345	19	y.	y.	PROPN
eurjchem-1962	345	20	;	;	PUNCT
eurjchem-1962	345	21	wang	wang	PROPN
eurjchem-1962	345	22	,	,	PUNCT
eurjchem-1962	345	23	z.	z.	PROPN
eurjchem-1962	345	24	;	;	PUNCT
eurjchem-1962	345	25	li	li	PROPN
eurjchem-1962	345	26	,	,	PUNCT
eurjchem-1962	345	27	w.	w.	PROPN
eurjchem-1962	345	28	;	;	PUNCT
eurjchem-1962	345	29	liu	liu	PROPN
eurjchem-1962	345	30	,	,	PUNCT
eurjchem-1962	345	31	g.	g.	PROPN
eurjchem-1962	345	32	;	;	PUNCT
eurjchem-1962	345	33	tang	tang	PROPN
eurjchem-1962	345	34	,	,	PUNCT
eurjchem-1962	345	35	y.	y.	NOUN
eurjchem-1962	345	36	bioinformatics	bioinformatics	PROPN
eurjchem-1962	345	37	2019	2019	NUM
eurjchem-1962	345	38	,	,	PUNCT
eurjchem-1962	345	39	35(6	35(6	NUM
eurjchem-1962	345	40	)	)	PUNCT
eurjchem-1962	345	41	,	,	PUNCT
eurjchem-1962	345	42	1067	1067	NUM
eurjchem-1962	345	43	-	-	SYM
eurjchem-1962	345	44	1069	1069	NUM
eurjchem-1962	345	45	.	.	PUNCT
eurjchem-1962	346	1	[	[	X
eurjchem-1962	346	2	30	30	NUM
eurjchem-1962	346	3	]	]	PUNCT
eurjchem-1962	346	4	.	.	PUNCT
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eurjchem-1962	347	2	,	,	PUNCT
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eurjchem-1962	347	4	;	;	PUNCT
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eurjchem-1962	347	6	,	,	PUNCT
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eurjchem-1962	347	8	n.	n.	PROPN
eurjchem-1962	347	9	;	;	PUNCT
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eurjchem-1962	347	11	,	,	PUNCT
eurjchem-1962	347	12	z.	z.	PROPN
eurjchem-1962	347	13	j.	j.	PROPN
eurjchem-1962	347	14	;	;	PUNCT
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eurjchem-1962	347	16	,	,	PUNCT
eurjchem-1962	347	17	l.	l.	PROPN
eurjchem-1962	347	18	;	;	PUNCT
eurjchem-1962	347	19	cheng	cheng	PROPN
eurjchem-1962	347	20	,	,	PUNCT
eurjchem-1962	347	21	y.	y.	PROPN
eurjchem-1962	347	22	;	;	PUNCT
eurjchem-1962	347	23	ouyang	ouyang	PROPN
eurjchem-1962	347	24	,	,	PUNCT
eurjchem-1962	347	25	d.	d.	PROPN
eurjchem-1962	347	26	;	;	PUNCT
eurjchem-1962	347	27	lu	lu	PROPN
eurjchem-1962	347	28	,	,	PUNCT
eurjchem-1962	347	29	a.	a.	NOUN
eurjchem-1962	347	30	p.	p.	PROPN
eurjchem-1962	347	31	;	;	PUNCT
eurjchem-1962	347	32	cao	cao	PROPN
eurjchem-1962	347	33	,	,	PUNCT
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eurjchem-1962	347	35	s.	s.	PROPN
eurjchem-1962	347	36	j.	j.	PROPN
eurjchem-1962	347	37	cheminfor	cheminfor	PROPN
eurjchem-1962	347	38	.	.	PUNCT
eurjchem-1962	348	1	2018	2018	NUM
eurjchem-1962	348	2	,	,	PUNCT
eurjchem-1962	348	3	10(1	10(1	NUM
eurjchem-1962	348	4	)	)	PUNCT
eurjchem-1962	348	5	,	,	PUNCT
eurjchem-1962	348	6	29	29	NUM
eurjchem-1962	348	7	.	.	PUNCT
eurjchem-1962	349	1	[	[	X
eurjchem-1962	349	2	31	31	NUM
eurjchem-1962	349	3	]	]	PUNCT
eurjchem-1962	349	4	.	.	PUNCT
eurjchem-1962	349	5	pires	pires	PROPN
eurjchem-1962	349	6	,	,	PUNCT
eurjchem-1962	349	7	d.	d.	PROPN
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eurjchem-1962	349	9	;	;	PUNCT
eurjchem-1962	349	10	blundell	blundell	PROPN
eurjchem-1962	349	11	,	,	PUNCT
eurjchem-1962	349	12	t.	t.	PROPN
eurjchem-1962	349	13	l.	l.	PROPN
eurjchem-1962	349	14	;	;	PUNCT
eurjchem-1962	349	15	ascher	ascher	PROPN
eurjchem-1962	349	16	,	,	PUNCT
eurjchem-1962	349	17	d.	d.	PROPN
eurjchem-1962	349	18	b.	b.	PROPN
eurjchem-1962	349	19	j.	j.	PROPN
eurjchem-1962	349	20	med	med	PROPN
eurjchem-1962	349	21	.	.	PROPN
eurjchem-1962	349	22	chem	chem	PROPN
eurjchem-1962	349	23	.	.	PUNCT
eurjchem-1962	350	1	2015	2015	NUM
eurjchem-1962	350	2	,	,	PUNCT
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eurjchem-1962	350	4	)	)	PUNCT
eurjchem-1962	350	5	,	,	PUNCT
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eurjchem-1962	350	7	-	-	SYM
eurjchem-1962	350	8	4072	4072	NUM
eurjchem-1962	350	9	.	.	PUNCT
eurjchem-1962	351	1	[	[	X
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eurjchem-1962	351	3	]	]	PUNCT
eurjchem-1962	351	4	.	.	PUNCT
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eurjchem-1962	352	2	,	,	PUNCT
eurjchem-1962	352	3	p.	p.	NOUN
eurjchem-1962	352	4	;	;	PUNCT
eurjchem-1962	353	1	liu	liu	PROPN
eurjchem-1962	353	2	,	,	PUNCT
eurjchem-1962	353	3	r.	r.	PROPN
eurjchem-1962	353	4	;	;	PUNCT
eurjchem-1962	353	5	desai	desai	PROPN
eurjchem-1962	353	6	,	,	PUNCT
eurjchem-1962	353	7	v.	v.	ADV
eurjchem-1962	353	8	;	;	PUNCT
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eurjchem-1962	353	10	,	,	PUNCT
eurjchem-1962	353	11	a.	a.	NOUN
eurjchem-1962	353	12	frontiers	frontiers	PROPN
eurjchem-1962	353	13	pharmacol	pharmacol	PROPN
eurjchem-1962	353	14	.	.	PROPN
eurjchem-1962	353	15	2017	2017	NUM
eurjchem-1962	353	16	,	,	PUNCT
eurjchem-1962	353	17	8	8	NUM
eurjchem-1962	353	18	,	,	PUNCT
eurjchem-1962	353	19	889	889	NUM
eurjchem-1962	353	20	,	,	PUNCT
eurjchem-1962	353	21	1	1	NUM
eurjchem-1962	353	22	-	-	SYM
eurjchem-1962	353	23	14	14	NUM
eurjchem-1962	353	24	.	.	PUNCT
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eurjchem-1962	354	3	]	]	PUNCT
eurjchem-1962	354	4	.	.	PUNCT
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eurjchem-1962	355	2	,	,	PUNCT
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eurjchem-1962	355	4	k.	k.	PROPN
eurjchem-1962	355	5	;	;	PUNCT
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eurjchem-1962	355	7	,	,	PUNCT
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eurjchem-1962	355	9	h.	h.	PROPN
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eurjchem-1962	355	12	,	,	PUNCT
eurjchem-1962	355	13	i.	i.	PROPN
eurjchem-1962	355	14	h.	h.	PROPN
eurjchem-1962	355	15	;	;	PUNCT
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eurjchem-1962	355	17	,	,	PUNCT
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eurjchem-1962	355	19	t.	t.	PROPN
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eurjchem-1962	355	21	-	-	PUNCT
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eurjchem-1962	355	23	ver	ver	NOUN
eurjchem-1962	355	24	.	.	PUNCT
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eurjchem-1962	356	2	.	.	NOUN
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eurjchem-1962	356	8	,	,	PUNCT
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eurjchem-1962	356	12	design	design	NOUN
eurjchem-1962	356	13	research	research	NOUN
eurjchem-1962	356	14	,	,	PUNCT
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eurjchem-1962	356	16	,	,	PUNCT
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eurjchem-1962	357	3	]	]	SYM
eurjchem-1962	357	4	.	.	PUNCT
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eurjchem-1962	358	2	,	,	PUNCT
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eurjchem-1962	358	4	;	;	PUNCT
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eurjchem-1962	358	6	,	,	PUNCT
eurjchem-1962	358	7	a.	a.	PROPN
eurjchem-1962	358	8	o.	o.	PROPN
eurjchem-1962	358	9	;	;	PUNCT
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eurjchem-1962	358	11	.	.	PUNCT
eurjchem-1962	359	1	a.	a.	PROPN
eurjchem-1962	359	2	k.	k.	PROPN
eurjchem-1962	359	3	;	;	PUNCT
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eurjchem-1962	359	5	,	,	PUNCT
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eurjchem-1962	359	8	acids	acid	NOUN
eurjchem-1962	359	9	res	re	NOUN
eurjchem-1962	359	10	.	.	PROPN
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eurjchem-1962	359	12	,	,	PUNCT
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eurjchem-1962	359	15	,	,	PUNCT
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eurjchem-1962	359	17	-	-	SYM
eurjchem-1962	359	18	w263	w263	PROPN
eurjchem-1962	359	19	.	.	PUNCT
eurjchem-1962	360	1	[	[	X
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eurjchem-1962	360	3	]	]	PUNCT
eurjchem-1962	360	4	.	.	PUNCT
eurjchem-1962	361	1	wishart	wishart	PROPN
eurjchem-1962	361	2	,	,	PUNCT
eurjchem-1962	361	3	d.	d.	PROPN
eurjchem-1962	361	4	s.	s.	PROPN
eurjchem-1962	361	5	;	;	PUNCT
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eurjchem-1962	361	7	,	,	PUNCT
eurjchem-1962	361	8	y.	y.	PROPN
eurjchem-1962	361	9	d.	d.	PROPN
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eurjchem-1962	361	12	,	,	PUNCT
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eurjchem-1962	361	15	;	;	PUNCT
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eurjchem-1962	361	17	,	,	PUNCT
eurjchem-1962	361	18	e.	e.	PROPN
eurjchem-1962	361	19	j.	j.	PROPN
eurjchem-1962	361	20	;	;	PUNCT
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eurjchem-1962	361	22	,	,	PUNCT
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eurjchem-1962	361	26	,	,	PUNCT
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eurjchem-1962	361	28	r.	r.	PROPN
eurjchem-1962	361	29	;	;	PUNCT
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eurjchem-1962	361	31	,	,	PUNCT
eurjchem-1962	361	32	t.	t.	PROPN
eurjchem-1962	361	33	;	;	PUNCT
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eurjchem-1962	361	35	,	,	PUNCT
eurjchem-1962	361	36	d.	d.	PROPN
eurjchem-1962	361	37	;	;	PUNCT
eurjchem-1962	361	38	li	li	PROPN
eurjchem-1962	361	39	,	,	PUNCT
eurjchem-1962	361	40	c	c	X
eurjchem-1962	361	41	;	;	PUNCT
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eurjchem-1962	361	43	,	,	PUNCT
eurjchem-1962	361	44	z.	z.	PROPN
eurjchem-1962	361	45	;	;	PUNCT
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eurjchem-1962	361	47	,	,	PUNCT
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eurjchem-1962	361	51	res	re	NOUN
eurjchem-1962	361	52	.	.	PROPN
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eurjchem-1962	361	54	,	,	PUNCT
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eurjchem-1962	361	56	)	)	PUNCT
eurjchem-1962	361	57	,	,	PUNCT
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eurjchem-1962	361	59	-	-	NOUN
eurjchem-1962	361	60	1082	1082	NUM
eurjchem-1962	361	61	.	.	PUNCT
eurjchem-1962	362	1	[	[	X
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eurjchem-1962	362	3	]	]	PUNCT
eurjchem-1962	362	4	.	.	PUNCT
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eurjchem-1962	362	6	,	,	PUNCT
eurjchem-1962	362	7	d.	d.	PROPN
eurjchem-1962	362	8	;	;	PUNCT
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eurjchem-1962	362	10	,	,	PUNCT
eurjchem-1962	362	11	a.	a.	PROPN
eurjchem-1962	362	12	s.	s.	PROPN
eurjchem-1962	362	13	;	;	PUNCT
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eurjchem-1962	362	15	,	,	PUNCT
eurjchem-1962	362	16	w.	w.	PROPN
eurjchem-1962	362	17	drug	drug	PROPN
eurjchem-1962	362	18	metabol	metabol	PROPN
eurjchem-1962	362	19	.	.	PUNCT
eurjchem-1962	363	1	rev	rev	PROPN
eurjchem-1962	363	2	.	.	PROPN
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eurjchem-1962	363	4	,	,	PUNCT
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eurjchem-1962	363	6	)	)	PUNCT
eurjchem-1962	363	7	,	,	PUNCT
eurjchem-1962	363	8	56	56	NUM
eurjchem-1962	363	9	-	-	SYM
eurjchem-1962	363	10	70	70	NUM
eurjchem-1962	363	11	.	.	PUNCT
eurjchem-1962	364	1	[	[	X
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eurjchem-1962	364	3	]	]	PUNCT
eurjchem-1962	364	4	.	.	PUNCT
eurjchem-1962	365	1	rydberg	rydberg	PROPN
eurjchem-1962	365	2	,	,	PUNCT
eurjchem-1962	365	3	p.	p.	PROPN
eurjchem-1962	365	4	;	;	PUNCT
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eurjchem-1962	365	6	,	,	PUNCT
eurjchem-1962	365	7	d.	d.	PROPN
eurjchem-1962	365	8	e.	e.	PROPN
eurjchem-1962	365	9	;	;	PUNCT
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eurjchem-1962	365	11	,	,	PUNCT
eurjchem-1962	365	12	l.	l.	PROPN
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eurjchem-1962	365	14	2010	2010	NUM
eurjchem-1962	365	15	,	,	PUNCT
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eurjchem-1962	365	22	.	.	PUNCT
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eurjchem-1962	366	3	]	]	PUNCT
eurjchem-1962	366	4	.	.	PUNCT
eurjchem-1962	367	1	rydberg	rydberg	PROPN
eurjchem-1962	367	2	,	,	PUNCT
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eurjchem-1962	367	4	;	;	PUNCT
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eurjchem-1962	367	6	,	,	PUNCT
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eurjchem-1962	367	8	e.	e.	PROPN
eurjchem-1962	367	9	;	;	PUNCT
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eurjchem-1962	367	11	,	,	PUNCT
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eurjchem-1962	367	13	;	;	PUNCT
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eurjchem-1962	367	15	,	,	PUNCT
eurjchem-1962	367	16	c.	c.	PROPN
eurjchem-1962	367	17	;	;	PUNCT
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eurjchem-1962	367	19	,	,	PUNCT
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eurjchem-1962	371	3	]	]	PUNCT
eurjchem-1962	371	4	.	.	PUNCT
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eurjchem-1962	372	2	,	,	PUNCT
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eurjchem-1962	372	4	;	;	PUNCT
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eurjchem-1962	372	6	,	,	PUNCT
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eurjchem-1962	372	14	,	,	PUNCT
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eurjchem-1962	372	20	)	)	PUNCT
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eurjchem-1962	373	3	]	]	PUNCT
eurjchem-1962	373	4	.	.	PUNCT
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eurjchem-1962	374	2	,	,	PUNCT
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eurjchem-1962	375	37	,	,	PUNCT
eurjchem-1962	375	38	s.	s.	PROPN
eurjchem-1962	375	39	k.	k.	PROPN
eurjchem-1962	376	1	nucleic	nucleic	ADJ
eurjchem-1962	376	2	acids	acid	NOUN
eurjchem-1962	376	3	res	re	NOUN
eurjchem-1962	376	4	.	.	PROPN
eurjchem-1962	376	5	2017	2017	NUM
eurjchem-1962	376	6	,	,	PUNCT
eurjchem-1962	376	7	45(d1	45(d1	NUM
eurjchem-1962	376	8	)	)	PUNCT
eurjchem-1962	376	9	,	,	PUNCT
eurjchem-1962	376	10	d271	d271	PROPN
eurjchem-1962	376	11	-	-	PUNCT
eurjchem-1962	376	12	d281	d281	PROPN
eurjchem-1962	376	13	.	.	PUNCT
eurjchem-1962	377	1	[	[	X
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eurjchem-1962	377	3	]	]	PUNCT
eurjchem-1962	377	4	.	.	PUNCT
eurjchem-1962	378	1	tian	tian	PROPN
eurjchem-1962	378	2	,	,	PUNCT
eurjchem-1962	378	3	w.	w.	PROPN
eurjchem-1962	378	4	;	;	PUNCT
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eurjchem-1962	378	6	,	,	PUNCT
eurjchem-1962	378	7	c.	c.	PROPN
eurjchem-1962	378	8	;	;	PUNCT
eurjchem-1962	378	9	lei	lei	PROPN
eurjchem-1962	378	10	,	,	PUNCT
eurjchem-1962	378	11	x.	x.	NOUN
eurjchem-1962	378	12	;	;	PUNCT
eurjchem-1962	378	13	zhao	zhao	PROPN
eurjchem-1962	378	14	,	,	PUNCT
eurjchem-1962	378	15	j.	j.	PROPN
eurjchem-1962	378	16	;	;	PUNCT
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eurjchem-1962	378	18	,	,	PUNCT
eurjchem-1962	378	19	j.	j.	PROPN
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eurjchem-1962	378	21	acids	acid	NOUN
eurjchem-1962	378	22	res	re	NOUN
eurjchem-1962	378	23	.	.	PROPN
eurjchem-1962	378	24	2018	2018	NUM
eurjchem-1962	378	25	,	,	PUNCT
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eurjchem-1962	378	27	)	)	PUNCT
eurjchem-1962	378	28	,	,	PUNCT
eurjchem-1962	378	29	w363	w363	PROPN
eurjchem-1962	378	30	-	-	PUNCT
eurjchem-1962	378	31	w367	w367	PROPN
eurjchem-1962	378	32	.	.	PUNCT
eurjchem-1962	379	1	[	[	X
eurjchem-1962	379	2	42	42	NUM
eurjchem-1962	379	3	]	]	PUNCT
eurjchem-1962	379	4	.	.	PUNCT
eurjchem-1962	380	1	dundas	dundas	PROPN
eurjchem-1962	380	2	,	,	PUNCT
eurjchem-1962	380	3	j.	j.	PROPN
eurjchem-1962	380	4	;	;	PUNCT
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eurjchem-1962	380	6	,	,	PUNCT
eurjchem-1962	380	7	z.	z.	PROPN
eurjchem-1962	380	8	;	;	PUNCT
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eurjchem-1962	380	10	,	,	PUNCT
eurjchem-1962	380	11	j.	j.	PROPN
eurjchem-1962	380	12	;	;	PUNCT
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eurjchem-1962	380	14	,	,	PUNCT
eurjchem-1962	380	15	a.	a.	NOUN
eurjchem-1962	380	16	;	;	PUNCT
eurjchem-1962	380	17	turpaz	turpaz	PROPN
eurjchem-1962	380	18	,	,	PUNCT
eurjchem-1962	380	19	y.	y.	PROPN
eurjchem-1962	380	20	;	;	PUNCT
eurjchem-1962	380	21	liang	liang	PROPN
eurjchem-1962	380	22	,	,	PUNCT
eurjchem-1962	380	23	j.	j.	PROPN
eurjchem-1962	380	24	nucleic	nucleic	ADJ
eurjchem-1962	380	25	acids	acid	NOUN
eurjchem-1962	380	26	res	re	NOUN
eurjchem-1962	380	27	.	.	PUNCT
eurjchem-1962	380	28	2006	2006	NUM
eurjchem-1962	380	29	,	,	PUNCT
eurjchem-1962	380	30	34(suppl2	34(suppl2	NUM
eurjchem-1962	380	31	)	)	PUNCT
eurjchem-1962	380	32	,	,	PUNCT
eurjchem-1962	380	33	w116	w116	PROPN
eurjchem-1962	380	34	-	-	PUNCT
eurjchem-1962	380	35	w118	w118	PROPN
eurjchem-1962	380	36	.	.	PUNCT
eurjchem-1962	381	1	[	[	X
eurjchem-1962	381	2	43	43	NUM
eurjchem-1962	381	3	]	]	PUNCT
eurjchem-1962	381	4	.	.	PUNCT
eurjchem-1962	382	1	tian	tian	PROPN
eurjchem-1962	382	2	,	,	PUNCT
eurjchem-1962	382	3	w.	w.	PROPN
eurjchem-1962	382	4	;	;	PUNCT
eurjchem-1962	382	5	chen	chen	PROPN
eurjchem-1962	382	6	,	,	PUNCT
eurjchem-1962	382	7	c.	c.	PROPN
eurjchem-1962	382	8	;	;	PUNCT
eurjchem-1962	382	9	liang	liang	PROPN
eurjchem-1962	382	10	,	,	PUNCT
eurjchem-1962	382	11	j.	j.	PROPN
eurjchem-1962	382	12	biophys	biophys	PROPN
eurjchem-1962	382	13	.	.	PUNCT
eurjchem-1962	383	1	j.	j.	PROPN
eurjchem-1962	383	2	2018	2018	NUM
eurjchem-1962	383	3	,	,	PUNCT
eurjchem-1962	383	4	114(3	114(3	NUM
eurjchem-1962	383	5	)	)	PUNCT
eurjchem-1962	383	6	,	,	PUNCT
eurjchem-1962	383	7	(	(	PUNCT
eurjchem-1962	383	8	suppl1	suppl1	NOUN
eurjchem-1962	383	9	)	)	PUNCT
eurjchem-1962	383	10	,	,	PUNCT
eurjchem-1962	383	11	50a	50a	NOUN
eurjchem-1962	383	12	.	.	PUNCT
eurjchem-1962	384	1	[	[	X
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eurjchem-1962	384	3	]	]	PUNCT
eurjchem-1962	384	4	.	.	PUNCT
eurjchem-1962	385	1	laskowski	laskowski	PROPN
eurjchem-1962	385	2	,	,	PUNCT
eurjchem-1962	385	3	r.	r.	PROPN
eurjchem-1962	385	4	a.	a.	PROPN
eurjchem-1962	385	5	;	;	PUNCT
eurjchem-1962	385	6	hutchinson	hutchinson	PROPN
eurjchem-1962	385	7	,	,	PUNCT
eurjchem-1962	385	8	e.	e.	PROPN
eurjchem-1962	385	9	g.	g.	PROPN
eurjchem-1962	385	10	;	;	PUNCT
eurjchem-1962	385	11	michie	michie	PROPN
eurjchem-1962	385	12	,	,	PUNCT
eurjchem-1962	385	13	a.	a.	PROPN
eurjchem-1962	385	14	d.	d.	PROPN
eurjchem-1962	385	15	;	;	PUNCT
eurjchem-1962	385	16	wallace	wallace	PROPN
eurjchem-1962	385	17	,	,	PUNCT
eurjchem-1962	385	18	a.	a.	PROPN
eurjchem-1962	385	19	c.	c.	PROPN
eurjchem-1962	385	20	;	;	PUNCT
eurjchem-1962	385	21	jones	jones	PROPN
eurjchem-1962	385	22	,	,	PUNCT
eurjchem-1962	385	23	m.	m.	PROPN
eurjchem-1962	385	24	l.	l.	PROPN
eurjchem-1962	385	25	;	;	PUNCT
eurjchem-1962	385	26	thornton	thornton	PROPN
eurjchem-1962	385	27	,	,	PUNCT
eurjchem-1962	385	28	j.	j.	PROPN
eurjchem-1962	385	29	m.	m.	PROPN
eurjchem-1962	385	30	trends	trend	VERB
eurjchem-1962	385	31	biochem	biochem	PROPN
eurjchem-1962	385	32	.	.	PUNCT
eurjchem-1962	386	1	sci	sci	PROPN
eurjchem-1962	386	2	.	.	PROPN
eurjchem-1962	386	3	1997	1997	NUM
eurjchem-1962	386	4	,	,	PUNCT
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eurjchem-1962	386	6	)	)	PUNCT
eurjchem-1962	386	7	,	,	PUNCT
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eurjchem-1962	386	9	-	-	SYM
eurjchem-1962	386	10	490	490	NUM
eurjchem-1962	386	11	.	.	PUNCT
eurjchem-1962	387	1	[	[	X
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eurjchem-1962	387	3	]	]	PUNCT
eurjchem-1962	387	4	.	.	PUNCT
eurjchem-1962	388	1	basta	basta	PROPN
eurjchem-1962	388	2	,	,	PUNCT
eurjchem-1962	388	3	h.	h.	PROPN
eurjchem-1962	388	4	a.	a.	PROPN
eurjchem-1962	388	5	;	;	PUNCT
eurjchem-1962	388	6	sgro	sgro	PROPN
eurjchem-1962	388	7	,	,	PUNCT
eurjchem-1962	388	8	j.	j.	PROPN
eurjchem-1962	388	9	y.	y.	PROPN
eurjchem-1962	388	10	;	;	PUNCT
eurjchem-1962	388	11	palmenberg	palmenberg	PROPN
eurjchem-1962	388	12	,	,	PUNCT
eurjchem-1962	388	13	a.	a.	NOUN
eurjchem-1962	388	14	c.	c.	PROPN
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eurjchem-1962	388	16	.	.	PUNCT
eurjchem-1962	389	1	2014	2014	NUM
eurjchem-1962	389	2	,	,	PUNCT
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eurjchem-1962	389	4	,	,	PUNCT
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eurjchem-1962	389	6	-	-	SYM
eurjchem-1962	389	7	184	184	NUM
eurjchem-1962	389	8	.	.	PUNCT
eurjchem-1962	390	1	[	[	X
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eurjchem-1962	390	3	]	]	PUNCT
eurjchem-1962	390	4	.	.	PUNCT
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eurjchem-1962	391	2	,	,	PUNCT
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eurjchem-1962	391	4	a.	a.	PROPN
eurjchem-1962	391	5	;	;	PUNCT
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eurjchem-1962	391	7	,	,	PUNCT
eurjchem-1962	391	8	m.	m.	PROPN
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eurjchem-1962	391	10	;	;	PUNCT
eurjchem-1962	391	11	moss	moss	PROPN
eurjchem-1962	391	12	,	,	PUNCT
eurjchem-1962	391	13	d.	d.	PROPN
eurjchem-1962	391	14	s.	s.	PROPN
eurjchem-1962	391	15	;	;	PUNCT
eurjchem-1962	391	16	thornton	thornton	PROPN
eurjchem-1962	391	17	,	,	PUNCT
eurjchem-1962	391	18	j.	j.	PROPN
eurjchem-1962	391	19	m.	m.	PROPN
eurjchem-1962	391	20	j.	j.	PROPN
eurjchem-1962	391	21	appl	appl	PROPN
eurjchem-1962	391	22	.	.	PROPN
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eurjchem-1962	391	24	.	.	PUNCT
eurjchem-1962	392	1	1993	1993	NUM
eurjchem-1962	392	2	,	,	PUNCT
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eurjchem-1962	392	4	)	)	PUNCT
eurjchem-1962	392	5	,	,	PUNCT
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eurjchem-1962	392	7	-	-	SYM
eurjchem-1962	392	8	291	291	NUM
eurjchem-1962	392	9	.	.	PUNCT
eurjchem-1962	393	1	[	[	X
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eurjchem-1962	393	3	]	]	PUNCT
eurjchem-1962	393	4	.	.	PUNCT
eurjchem-1962	394	1	mering	mering	PROPN
eurjchem-1962	394	2	,	,	PUNCT
eurjchem-1962	394	3	c.	c.	PROPN
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eurjchem-1962	394	5	;	;	PUNCT
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eurjchem-1962	394	7	,	,	PUNCT
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eurjchem-1962	394	9	;	;	PUNCT
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eurjchem-1962	394	11	,	,	PUNCT
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eurjchem-1962	394	13	;	;	PUNCT
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eurjchem-1962	394	15	,	,	PUNCT
eurjchem-1962	394	16	s.	s.	PROPN
eurjchem-1962	394	17	;	;	PUNCT
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eurjchem-1962	394	19	,	,	PUNCT
eurjchem-1962	394	20	p.	p.	PROPN
eurjchem-1962	394	21	;	;	PUNCT
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eurjchem-1962	394	23	,	,	PUNCT
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eurjchem-1962	394	27	res	re	NOUN
eurjchem-1962	394	28	.	.	PUNCT
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eurjchem-1962	394	30	,	,	PUNCT
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eurjchem-1962	394	32	)	)	PUNCT
eurjchem-1962	394	33	,	,	PUNCT
eurjchem-1962	394	34	258	258	NUM
eurjchem-1962	394	35	-	-	SYM
eurjchem-1962	394	36	261	261	NUM
eurjchem-1962	394	37	.	.	PUNCT
eurjchem-1962	395	1	[	[	X
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eurjchem-1962	395	3	]	]	PUNCT
eurjchem-1962	395	4	.	.	PUNCT
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eurjchem-1962	396	2	,	,	PUNCT
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eurjchem-1962	396	4	;	;	PUNCT
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eurjchem-1962	396	6	,	,	PUNCT
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eurjchem-1962	396	10	,	,	PUNCT
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eurjchem-1962	396	14	res	re	NOUN
eurjchem-1962	396	15	.	.	PUNCT
eurjchem-1962	397	1	2011	2011	NUM
eurjchem-1962	397	2	,	,	PUNCT
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eurjchem-1962	397	5	,	,	PUNCT
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eurjchem-1962	397	7	-	-	PUNCT
eurjchem-1962	397	8	w277	w277	PROPN
eurjchem-1962	397	9	.	.	PUNCT
eurjchem-1962	398	1	[	[	X
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eurjchem-1962	398	4	.	.	PUNCT
eurjchem-1962	399	1	kiss	kiss	PROPN
eurjchem-1962	399	2	,	,	PUNCT
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eurjchem-1962	399	4	;	;	PUNCT
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eurjchem-1962	399	6	,	,	PUNCT
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eurjchem-1962	399	8	;	;	PUNCT
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eurjchem-1962	399	10	,	,	PUNCT
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eurjchem-1962	399	15	.	.	PUNCT
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eurjchem-1962	400	2	,	,	PUNCT
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eurjchem-1962	400	4	,	,	PUNCT
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eurjchem-1962	401	1	[	[	X
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eurjchem-1962	401	3	]	]	PUNCT
eurjchem-1962	401	4	.	.	PUNCT
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eurjchem-1962	402	5	;	;	PUNCT
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eurjchem-1962	402	7	,	,	PUNCT
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eurjchem-1962	402	15	.	.	PUNCT
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eurjchem-1962	403	8	.	.	PUNCT
eurjchem-1962	404	1	o.	o.	PROPN
eurjchem-1962	404	2	;	;	PUNCT
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eurjchem-1962	404	4	,	,	PUNCT
eurjchem-1962	404	5	b.	b.	PROPN
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eurjchem-1962	404	21	,	,	PUNCT
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eurjchem-1962	404	24	,	,	PUNCT
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eurjchem-1962	404	26	-	-	PUNCT
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eurjchem-1962	406	1	this	this	DET
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eurjchem-1962	407	15	commons	common	NOUN
eurjchem-1962	407	16	attribution	attribution	NOUN
eurjchem-1962	407	17	-	-	PUNCT
eurjchem-1962	407	18	non	non	ADJ
eurjchem-1962	407	19	commercial	commercial	NOUN
eurjchem-1962	407	20	(	(	PUNCT
eurjchem-1962	407	21	cc	cc	NOUN
eurjchem-1962	407	22	by	by	ADP
eurjchem-1962	407	23	nc	nc	PROPN
eurjchem-1962	407	24	)	)	PUNCT
eurjchem-1962	407	25	(	(	PUNCT
eurjchem-1962	407	26	international	international	ADJ
eurjchem-1962	407	27	,	,	PUNCT
eurjchem-1962	407	28	v4.0	v4.0	NOUN
eurjchem-1962	407	29	)	)	PUNCT
eurjchem-1962	407	30	license	license	NOUN
eurjchem-1962	407	31	(	(	PUNCT
eurjchem-1962	407	32	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	NOUN
eurjchem-1962	407	33	)	)	PUNCT
eurjchem-1962	407	34	.	.	PUNCT
eurjchem-1962	408	1	by	by	ADP
eurjchem-1962	408	2	accessing	access	VERB
eurjchem-1962	408	3	the	the	DET
eurjchem-1962	408	4	work	work	NOUN
eurjchem-1962	408	5	,	,	PUNCT
eurjchem-1962	408	6	you	you	PRON
eurjchem-1962	408	7	hereby	hereby	ADV
eurjchem-1962	408	8	accept	accept	VERB
eurjchem-1962	408	9	the	the	DET
eurjchem-1962	408	10	terms	term	NOUN
eurjchem-1962	408	11	.	.	PUNCT
eurjchem-1962	409	1	this	this	PRON
eurjchem-1962	409	2	is	be	AUX
eurjchem-1962	409	3	an	an	DET
eurjchem-1962	409	4	open	open	ADJ
eurjchem-1962	409	5	access	access	NOUN
eurjchem-1962	409	6	article	article	NOUN
eurjchem-1962	409	7	distributed	distribute	VERB
eurjchem-1962	409	8	under	under	ADP
eurjchem-1962	409	9	the	the	DET
eurjchem-1962	409	10	terms	term	NOUN
eurjchem-1962	409	11	and	and	CCONJ
eurjchem-1962	409	12	conditions	condition	NOUN
eurjchem-1962	409	13	of	of	ADP
eurjchem-1962	409	14	the	the	DET
eurjchem-1962	409	15	cc	cc	PROPN
eurjchem-1962	409	16	by	by	ADP
eurjchem-1962	409	17	nc	nc	PROPN
eurjchem-1962	409	18	license	license	PROPN
eurjchem-1962	409	19	,	,	PUNCT
eurjchem-1962	409	20	which	which	PRON
eurjchem-1962	409	21	permits	permit	VERB
eurjchem-1962	409	22	unrestricted	unrestricted	ADJ
eurjchem-1962	409	23	non	non	ADJ
eurjchem-1962	409	24	-	-	ADJ
eurjchem-1962	409	25	commercial	commercial	ADJ
eurjchem-1962	409	26	use	use	NOUN
eurjchem-1962	409	27	,	,	PUNCT
eurjchem-1962	409	28	distribution	distribution	NOUN
eurjchem-1962	409	29	,	,	PUNCT
eurjchem-1962	409	30	and	and	CCONJ
eurjchem-1962	409	31	reproduction	reproduction	NOUN
eurjchem-1962	409	32	in	in	ADP
eurjchem-1962	409	33	any	any	DET
eurjchem-1962	409	34	medium	medium	NOUN
eurjchem-1962	409	35	,	,	PUNCT
eurjchem-1962	409	36	provided	provide	VERB
eurjchem-1962	409	37	the	the	DET
eurjchem-1962	409	38	original	original	ADJ
eurjchem-1962	409	39	work	work	NOUN
eurjchem-1962	409	40	is	be	AUX
eurjchem-1962	409	41	properly	properly	ADV
eurjchem-1962	409	42	cited	cite	VERB
eurjchem-1962	409	43	without	without	ADP
eurjchem-1962	409	44	any	any	DET
eurjchem-1962	409	45	further	further	ADJ
eurjchem-1962	409	46	permission	permission	NOUN
eurjchem-1962	409	47	from	from	ADP
eurjchem-1962	409	48	atlanta	atlanta	PROPN
eurjchem-1962	409	49	publishing	publishing	PROPN
eurjchem-1962	409	50	house	house	PROPN
eurjchem-1962	409	51	llc	llc	PROPN
eurjchem-1962	409	52	(	(	PUNCT
eurjchem-1962	409	53	european	european	PROPN
eurjchem-1962	409	54	journal	journal	PROPN
eurjchem-1962	409	55	of	of	ADP
eurjchem-1962	409	56	chemistry	chemistry	NOUN
eurjchem-1962	409	57	)	)	PUNCT
eurjchem-1962	409	58	.	.	PUNCT
eurjchem-1962	410	1	no	no	DET
eurjchem-1962	410	2	use	use	NOUN
eurjchem-1962	410	3	,	,	PUNCT
eurjchem-1962	410	4	distribution	distribution	NOUN
eurjchem-1962	410	5	or	or	CCONJ
eurjchem-1962	410	6	reproduction	reproduction	NOUN
eurjchem-1962	410	7	is	be	AUX
eurjchem-1962	410	8	permitted	permit	VERB
eurjchem-1962	410	9	which	which	PRON
eurjchem-1962	410	10	does	do	AUX
eurjchem-1962	410	11	not	not	PART
eurjchem-1962	410	12	comply	comply	VERB
eurjchem-1962	410	13	with	with	ADP
eurjchem-1962	410	14	these	these	DET
eurjchem-1962	410	15	terms	term	NOUN
eurjchem-1962	410	16	.	.	PUNCT
eurjchem-1962	411	1	permissions	permission	NOUN
eurjchem-1962	411	2	for	for	ADP
eurjchem-1962	411	3	commercial	commercial	ADJ
eurjchem-1962	411	4	use	use	NOUN
eurjchem-1962	411	5	of	of	ADP
eurjchem-1962	411	6	this	this	DET
eurjchem-1962	411	7	work	work	NOUN
eurjchem-1962	411	8	beyond	beyond	ADP
eurjchem-1962	411	9	the	the	DET
eurjchem-1962	411	10	scope	scope	NOUN
eurjchem-1962	411	11	of	of	ADP
eurjchem-1962	411	12	the	the	DET
eurjchem-1962	411	13	license	license	NOUN
eurjchem-1962	411	14	(	(	PUNCT
eurjchem-1962	411	15	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-1962	411	16	)	)	PUNCT
eurjchem-1962	411	17	are	be	AUX
eurjchem-1962	411	18	administered	administer	VERB
eurjchem-1962	411	19	by	by	ADP
eurjchem-1962	411	20	atlanta	atlanta	PROPN
eurjchem-1962	411	21	publishing	publishing	PROPN
eurjchem-1962	411	22	house	house	PROPN
eurjchem-1962	411	23	llc	llc	PROPN
eurjchem-1962	411	24	(	(	PUNCT
eurjchem-1962	411	25	european	european	PROPN
eurjchem-1962	411	26	journal	journal	PROPN
eurjchem-1962	411	27	of	of	ADP
eurjchem-1962	411	28	chemistry	chemistry	NOUN
eurjchem-1962	411	29	)	)	PUNCT
eurjchem-1962	411	30	.	.	PUNCT
eurjchem-1962	412	1	http://orcid.org/0000-0002-8034-6348	http://orcid.org/0000-0002-8034-6348	PROPN
eurjchem-1962	412	2	http://orcid.org/0000-0001-4511-3749	http://orcid.org/0000-0001-4511-3749	PROPN
eurjchem-1962	412	3	http://orcid.org/0000-0001-9167-9271	http://orcid.org/0000-0001-9167-9271	PROPN
eurjchem-1962	412	4	http://orcid.org/0000-0003-0371-3535	http://orcid.org/0000-0003-0371-3535	PROPN
eurjchem-1962	412	5	http://orcid.org/0000-0001-9867-8917	http://orcid.org/0000-0001-9867-8917	NOUN
eurjchem-1962	412	6	https://chemaxon.com/	https://chemaxon.com/	PROPN
eurjchem-1962	412	7	https://chemdrawdirect.perkinelmer.cloud/js/sample/index.html	https://chemdrawdirect.perkinelmer.cloud/js/sample/index.html	ADJ
eurjchem-1962	412	8	http://www.molinspiration.com/	http://www.molinspiration.com/	NOUN
eurjchem-1962	412	9	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	ADP
eurjchem-1962	412	10	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-1962	412	11	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	PROPN
eurjchem-1962	412	12	1	1	NUM
eurjchem-1962	412	13	.	.	PUNCT
eurjchem-1962	412	14	introduction	introduction	NOUN
eurjchem-1962	412	15	2	2	NUM
eurjchem-1962	412	16	.	.	PUNCT
eurjchem-1962	412	17	online	online	ADJ
eurjchem-1962	412	18	resources	resource	NOUN
eurjchem-1962	412	19	for	for	ADP
eurjchem-1962	412	20	drug	drug	NOUN
eurjchem-1962	412	21	discovery	discovery	NOUN
eurjchem-1962	412	22	and	and	CCONJ
eurjchem-1962	412	23	development	development	NOUN
eurjchem-1962	412	24	3	3	NUM
eurjchem-1962	412	25	.	.	PUNCT
eurjchem-1962	412	26	structural	structural	ADJ
eurjchem-1962	412	27	and	and	CCONJ
eurjchem-1962	412	28	molecular	molecular	ADJ
eurjchem-1962	412	29	properties	property	NOUN
eurjchem-1962	412	30	3.1	3.1	NUM
eurjchem-1962	412	31	.	.	PUNCT
eurjchem-1962	413	1	molecular	molecular	ADJ
eurjchem-1962	413	2	weight	weight	NOUN
eurjchem-1962	413	3	3.2	3.2	NUM
eurjchem-1962	413	4	.	.	PUNCT
eurjchem-1962	414	1	hydrogen	hydrogen	NOUN
eurjchem-1962	414	2	bond	bond	NOUN
eurjchem-1962	414	3	3.3	3.3	NUM
eurjchem-1962	414	4	.	.	PUNCT
eurjchem-1962	415	1	polarity	polarity	NOUN
eurjchem-1962	415	2	3.4	3.4	NUM
eurjchem-1962	415	3	.	.	PUNCT
eurjchem-1962	416	1	structural	structural	ADJ
eurjchem-1962	416	2	modification	modification	NOUN
eurjchem-1962	416	3	of	of	ADP
eurjchem-1962	416	4	molecules	molecule	NOUN
eurjchem-1962	416	5	for	for	ADP
eurjchem-1962	416	6	better	well	ADJ
eurjchem-1962	416	7	oral	oral	ADJ
eurjchem-1962	416	8	bioavailability	bioavailability	NOUN
eurjchem-1962	416	9	4	4	NUM
eurjchem-1962	416	10	.	.	PUNCT
eurjchem-1962	416	11	physicochemical	physicochemical	ADJ
eurjchem-1962	416	12	properties	property	NOUN
eurjchem-1962	416	13	4.1	4.1	NUM
eurjchem-1962	416	14	.	.	PUNCT
eurjchem-1962	417	1	solubility	solubility	NOUN
eurjchem-1962	417	2	and	and	CCONJ
eurjchem-1962	417	3	distribution	distribution	NOUN
eurjchem-1962	417	4	4.2	4.2	NUM
eurjchem-1962	417	5	.	.	PUNCT
eurjchem-1962	418	1	permeability	permeability	NOUN
eurjchem-1962	418	2	and	and	CCONJ
eurjchem-1962	418	3	lipophilicity	lipophilicity	NOUN
eurjchem-1962	418	4	4.3	4.3	NUM
eurjchem-1962	418	5	.	.	PUNCT
eurjchem-1962	419	1	stability	stability	PROPN
eurjchem-1962	419	2	4.4	4.4	NUM
eurjchem-1962	419	3	.	.	PUNCT
eurjchem-1962	420	1	pka	pka	PROPN
eurjchem-1962	420	2	5	5	NUM
eurjchem-1962	420	3	.	.	PUNCT
eurjchem-1962	420	4	biological	biological	ADJ
eurjchem-1962	420	5	properties	property	NOUN
eurjchem-1962	420	6	5.1	5.1	NUM
eurjchem-1962	420	7	.	.	PUNCT
eurjchem-1962	421	1	absorption	absorption	NOUN
eurjchem-1962	421	2	,	,	PUNCT
eurjchem-1962	421	3	distribution	distribution	NOUN
eurjchem-1962	421	4	,	,	PUNCT
eurjchem-1962	421	5	metabolism	metabolism	NOUN
eurjchem-1962	421	6	,	,	PUNCT
eurjchem-1962	421	7	excretion	excretion	NOUN
eurjchem-1962	421	8	and	and	CCONJ
eurjchem-1962	421	9	toxicity	toxicity	NOUN
eurjchem-1962	421	10	(	(	PUNCT
eurjchem-1962	421	11	admet	admet	X
eurjchem-1962	421	12	)	)	PUNCT
eurjchem-1962	421	13	5.2	5.2	NUM
eurjchem-1962	421	14	.	.	PUNCT
eurjchem-1962	421	15	prediction	prediction	NOUN
eurjchem-1962	421	16	of	of	ADP
eurjchem-1962	421	17	oral	oral	ADJ
eurjchem-1962	421	18	toxicity	toxicity	NOUN
eurjchem-1962	421	19	of	of	ADP
eurjchem-1962	421	20	small	small	ADJ
eurjchem-1962	421	21	molecules	molecule	NOUN
eurjchem-1962	421	22	5.3	5.3	NUM
eurjchem-1962	421	23	.	.	PUNCT
eurjchem-1962	422	1	calculation	calculation	NOUN
eurjchem-1962	422	2	of	of	ADP
eurjchem-1962	422	3	molecular	molecular	ADJ
eurjchem-1962	422	4	properties	property	NOUN
eurjchem-1962	422	5	of	of	ADP
eurjchem-1962	422	6	doxorubicin	doxorubicin	PROPN
eurjchem-1962	422	7	5.4	5.4	NUM
eurjchem-1962	422	8	.	.	PUNCT
eurjchem-1962	423	1	cyp	cyp	ADJ
eurjchem-1962	423	2	inhibition	inhibition	NOUN
eurjchem-1962	423	3	6	6	NUM
eurjchem-1962	423	4	.	.	PUNCT
eurjchem-1962	424	1	receptor	receptor	NOUN
eurjchem-1962	424	2	selection	selection	NOUN
eurjchem-1962	424	3	for	for	ADP
eurjchem-1962	424	4	molecular	molecular	ADJ
eurjchem-1962	424	5	docking	docking	NOUN
eurjchem-1962	424	6	with	with	ADP
eurjchem-1962	424	7	doxorubicin	doxorubicin	PROPN
eurjchem-1962	424	8	6.1	6.1	NUM
eurjchem-1962	424	9	.	.	PUNCT
eurjchem-1962	425	1	active	active	ADJ
eurjchem-1962	425	2	sites	site	NOUN
eurjchem-1962	425	3	pocket	pocket	NOUN
eurjchem-1962	425	4	of	of	ADP
eurjchem-1962	425	5	receptor	receptor	NOUN
eurjchem-1962	425	6	and	and	CCONJ
eurjchem-1962	425	7	its	its	PRON
eurjchem-1962	425	8	drug	drug	NOUN
eurjchem-1962	425	9	ability	ability	NOUN
eurjchem-1962	425	10	predictions	prediction	NOUN
eurjchem-1962	425	11	by	by	ADP
eurjchem-1962	425	12	castp	castp	ADJ
eurjchem-1962	425	13	and	and	CCONJ
eurjchem-1962	425	14	pdbsum	pdbsum	NOUN
eurjchem-1962	425	15	web	web	NOUN
eurjchem-1962	425	16	servers	server	NOUN
eurjchem-1962	425	17	6.2	6.2	NUM
eurjchem-1962	425	18	.	.	PUNCT
eurjchem-1962	426	1	determination	determination	NOUN
eurjchem-1962	426	2	of	of	ADP
eurjchem-1962	426	3	interaction	interaction	NOUN
eurjchem-1962	426	4	partners	partner	NOUN
eurjchem-1962	426	5	of	of	ADP
eurjchem-1962	426	6	1zxm	1zxm	NUM
eurjchem-1962	426	7	by	by	ADP
eurjchem-1962	426	8	string	string	NOUN
eurjchem-1962	426	9	database	database	NOUN
eurjchem-1962	426	10	7	7	NUM
eurjchem-1962	426	11	.	.	X
eurjchem-1962	426	12	molecular	molecular	ADJ
eurjchem-1962	426	13	docking	docking	NOUN
eurjchem-1962	426	14	and	and	CCONJ
eurjchem-1962	426	15	visualization	visualization	NOUN
eurjchem-1962	426	16	of	of	ADP
eurjchem-1962	426	17	doxorubicin	doxorubicin	PROPN
eurjchem-1962	426	18	interaction	interaction	NOUN
eurjchem-1962	426	19	profile	profile	NOUN
eurjchem-1962	426	20	with	with	ADP
eurjchem-1962	426	21	1zxm	1zxm	NUM
eurjchem-1962	426	22	receptor	receptor	NOUN
eurjchem-1962	426	23	7.1	7.1	NUM
eurjchem-1962	426	24	.	.	PUNCT
eurjchem-1962	427	1	results	result	NOUN
eurjchem-1962	427	2	of	of	ADP
eurjchem-1962	427	3	docking	dock	VERB
eurjchem-1962	427	4	interaction	interaction	NOUN
eurjchem-1962	427	5	of	of	ADP
eurjchem-1962	427	6	doxorubicin	doxorubicin	PROPN
eurjchem-1962	427	7	with1zxm	with1zxm	PROPN
eurjchem-1962	427	8	receptor	receptor	NOUN
eurjchem-1962	427	9	by	by	ADP
eurjchem-1962	427	10	swissdock	swissdock	NOUN
eurjchem-1962	427	11	,	,	PUNCT
eurjchem-1962	427	12	mcule	mcule	ADJ
eurjchem-1962	427	13	and	and	CCONJ
eurjchem-1962	427	14	mtiautodock	mtiautodock	NOUN
eurjchem-1962	427	15	8	8	NUM
eurjchem-1962	427	16	.	.	PUNCT
eurjchem-1962	428	1	conclusions	conclusion	NOUN
eurjchem-1962	428	2	disclosure	disclosure	NOUN
eurjchem-1962	428	3	statement	statement	NOUN
eurjchem-1962	428	4	orcid	orcid	PROPN
eurjchem-1962	428	5	references	reference	NOUN
eurjchem-1962	428	6	printfield10	printfield10	NOUN
eurjchem-1962	428	7	:	:	PUNCT
eurjchem-1962	428	8	printfield11	printfield11	NOUN
eurjchem-1962	428	9	:	:	PUNCT
eurjchem-1962	428	10	printfield12	printfield12	PROPN
eurjchem-1962	428	11	:	:	PUNCT
eurjchem-1962	428	12	printfield13	printfield13	VERB
eurjchem-1962	428	13	:	:	PUNCT
eurjchem-1962	428	14	printfield14	printfield14	NOUN
eurjchem-1962	428	15	:	:	PUNCT
eurjchem-1962	428	16	printfield15	printfield15	NOUN
eurjchem-1962	428	17	:	:	PUNCT
eurjchem-1962	428	18	printfield16	printfield16	ADJ
eurjchem-1962	428	19	:	:	PUNCT
eurjchem-1962	428	20	printfield17	printfield17	NOUN
eurjchem-1962	428	21	:	:	PUNCT
eurjchem-1962	428	22	printfield18	printfield18	NOUN
eurjchem-1962	428	23	:	:	PUNCT
eurjchem-1962	428	24	printfield19	printfield19	NOUN
eurjchem-1962	428	25	:	:	PUNCT
eurjchem-1962	428	26	printfield110	printfield110	PROPN
eurjchem-1962	428	27	:	:	PUNCT
eurjchem-1962	428	28	printfield20	printfield20	PROPN
eurjchem-1962	428	29	:	:	PUNCT
eurjchem-1962	428	30	printfield21	printfield21	ADJ
eurjchem-1962	428	31	:	:	PUNCT
eurjchem-1962	428	32	printfield22	printfield22	NOUN
eurjchem-1962	428	33	:	:	PUNCT
eurjchem-1962	428	34	printfield23	printfield23	NOUN
eurjchem-1962	428	35	:	:	PUNCT
eurjchem-1962	428	36	printfield24	printfield24	NOUN
eurjchem-1962	428	37	:	:	PUNCT
eurjchem-1962	428	38	printfield25	printfield25	NOUN
eurjchem-1962	428	39	:	:	PUNCT
eurjchem-1962	428	40	printfield26	printfield26	ADJ
eurjchem-1962	428	41	:	:	PUNCT
eurjchem-1962	428	42	printfield27	printfield27	NOUN
eurjchem-1962	428	43	:	:	PUNCT
eurjchem-1962	428	44	printfield28	printfield28	NOUN
eurjchem-1962	428	45	:	:	PUNCT
eurjchem-1962	428	46	printfield29	printfield29	ADV
eurjchem-1962	428	47	:	:	PUNCT
eurjchem-1962	428	48	printfield210	printfield210	PROPN
eurjchem-1962	428	49	:	:	PUNCT