id	sid	tid	token	lemma	pos
eurjchem-1949	1	1	theoretical	theoretical	ADJ
eurjchem-1949	1	2	investigation	investigation	NOUN
eurjchem-1949	1	3	of	of	ADP
eurjchem-1949	1	4	a	a	DET
eurjchem-1949	1	5	few	few	ADJ
eurjchem-1949	1	6	selected	select	VERB
eurjchem-1949	1	7	compounds	compound	NOUN
eurjchem-1949	1	8	as	as	ADP
eurjchem-1949	1	9	potent	potent	ADJ
eurjchem-1949	1	10	anti	anti	ADJ
eurjchem-1949	1	11	-	-	ADJ
eurjchem-1949	1	12	tubercular	tubercular	ADJ
eurjchem-1949	1	13	agents	agent	NOUN
eurjchem-1949	1	14	and	and	CCONJ
eurjchem-1949	1	15	molecular	molecular	ADJ
eurjchem-1949	1	16	docking	docking	NOUN
eurjchem-1949	1	17	evaluation	evaluation	NOUN
eurjchem-1949	1	18	:	:	PUNCT
eurjchem-1949	1	19	a	a	DET
eurjchem-1949	1	20	multi	multi	ADJ
eurjchem-1949	1	21	-	-	ADJ
eurjchem-1949	1	22	linear	linear	ADJ
eurjchem-1949	1	23	regression	regression	NOUN
eurjchem-1949	1	24	approach	approach	NOUN
eurjchem-1949	1	25	european	european	PROPN
eurjchem-1949	1	26	journal	journal	PROPN
eurjchem-1949	1	27	of	of	ADP
eurjchem-1949	1	28	chemistry	chemistry	NOUN
eurjchem-1949	1	29	11	11	NUM
eurjchem-1949	1	30	(	(	PUNCT
eurjchem-1949	1	31	1	1	NUM
eurjchem-1949	1	32	)	)	PUNCT
eurjchem-1949	1	33	(	(	PUNCT
eurjchem-1949	1	34	2020	2020	NUM
eurjchem-1949	1	35	)	)	PUNCT
eurjchem-1949	1	36	60	60	NUM
eurjchem-1949	1	37	-	-	SYM
eurjchem-1949	1	38	67	67	NUM
eurjchem-1949	1	39	european	european	ADJ
eurjchem-1949	1	40	journal	journal	PROPN
eurjchem-1949	1	41	of	of	ADP
eurjchem-1949	1	42	chemistry	chemistry	NOUN
eurjchem-1949	1	43	view	view	NOUN
eurjchem-1949	1	44	journal	journal	PROPN
eurjchem-1949	1	45	online	online	PROPN
eurjchem-1949	1	46	view	view	NOUN
eurjchem-1949	1	47	article	article	NOUN
eurjchem-1949	1	48	online	online	ADJ
eurjchem-1949	1	49	theoretical	theoretical	ADJ
eurjchem-1949	1	50	investigation	investigation	NOUN
eurjchem-1949	1	51	of	of	ADP
eurjchem-1949	1	52	a	a	DET
eurjchem-1949	1	53	few	few	ADJ
eurjchem-1949	1	54	selected	select	VERB
eurjchem-1949	1	55	compounds	compound	NOUN
eurjchem-1949	1	56	as	as	ADP
eurjchem-1949	1	57	potent	potent	ADJ
eurjchem-1949	1	58	anti	anti	ADJ
eurjchem-1949	1	59	-	-	ADJ
eurjchem-1949	1	60	tubercular	tubercular	ADJ
eurjchem-1949	1	61	agents	agent	NOUN
eurjchem-1949	1	62	and	and	CCONJ
eurjchem-1949	1	63	molecular	molecular	ADJ
eurjchem-1949	1	64	docking	docking	NOUN
eurjchem-1949	1	65	evaluation	evaluation	NOUN
eurjchem-1949	1	66	:	:	PUNCT
eurjchem-1949	1	67	a	a	DET
eurjchem-1949	1	68	multi	multi	ADJ
eurjchem-1949	1	69	-	-	ADJ
eurjchem-1949	1	70	linear	linear	ADJ
eurjchem-1949	1	71	regression	regression	NOUN
eurjchem-1949	1	72	approach	approach	NOUN
eurjchem-1949	1	73	shola	shola	PROPN
eurjchem-1949	1	74	elijah	elijah	PROPN
eurjchem-1949	1	75	adeniji	adeniji	PROPN
eurjchem-1949	1	76	1	1	NUM
eurjchem-1949	1	77	,	,	PUNCT
eurjchem-1949	1	78	*	*	PUNCT
eurjchem-1949	1	79	,	,	PUNCT
eurjchem-1949	1	80	abdulwahab	abdulwahab	PROPN
eurjchem-1949	1	81	isiaka	isiaka	ADJ
eurjchem-1949	1	82	1	1	NUM
eurjchem-1949	1	83	,	,	PUNCT
eurjchem-1949	1	84	kalen	kalen	PROPN
eurjchem-1949	1	85	ephraim	ephraim	PROPN
eurjchem-1949	1	86	audu	audu	NOUN
eurjchem-1949	1	87	2	2	NUM
eurjchem-1949	1	88	and	and	CCONJ
eurjchem-1949	1	89	olajumoke	olajumoke	VERB
eurjchem-1949	1	90	bosede	bosede	ADJ
eurjchem-1949	1	91	adalumo	adalumo	ADJ
eurjchem-1949	1	92	3	3	NUM
eurjchem-1949	1	93	1	1	NUM
eurjchem-1949	1	94	department	department	NOUN
eurjchem-1949	1	95	of	of	ADP
eurjchem-1949	1	96	chemistry	chemistry	NOUN
eurjchem-1949	1	97	,	,	PUNCT
eurjchem-1949	1	98	ahmadu	ahmadu	PROPN
eurjchem-1949	1	99	bello	bello	PROPN
eurjchem-1949	1	100	university	university	PROPN
eurjchem-1949	1	101	,	,	PUNCT
eurjchem-1949	1	102	zaria	zaria	PROPN
eurjchem-1949	1	103	,	,	PUNCT
eurjchem-1949	1	104	kaduna	kaduna	PROPN
eurjchem-1949	1	105	state	state	PROPN
eurjchem-1949	1	106	810107	810107	NUM
eurjchem-1949	1	107	,	,	PUNCT
eurjchem-1949	1	108	nigeria	nigeria	PROPN
eurjchem-1949	1	109	shola4343@gmail.com	shola4343@gmail.com	PROPN
eurjchem-1949	1	110	(	(	PUNCT
eurjchem-1949	1	111	s.e.a	s.e.a	NOUN
eurjchem-1949	1	112	.	.	PUNCT
eurjchem-1949	1	113	)	)	PUNCT
eurjchem-1949	1	114	,	,	PUNCT
eurjchem-1949	2	1	femiagie@gmail.com	femiagie@gmail.com	X
eurjchem-1949	2	2	(	(	PUNCT
eurjchem-1949	2	3	a.i	a.i	PROPN
eurjchem-1949	2	4	.	.	PROPN
eurjchem-1949	2	5	)	)	PUNCT
eurjchem-1949	3	1	2	2	NUM
eurjchem-1949	3	2	department	department	NOUN
eurjchem-1949	3	3	of	of	ADP
eurjchem-1949	3	4	biology	biology	NOUN
eurjchem-1949	3	5	,	,	PUNCT
eurjchem-1949	3	6	ahmadu	ahmadu	PROPN
eurjchem-1949	3	7	bello	bello	PROPN
eurjchem-1949	3	8	university	university	PROPN
eurjchem-1949	3	9	,	,	PUNCT
eurjchem-1949	3	10	zaria	zaria	PROPN
eurjchem-1949	3	11	,	,	PUNCT
eurjchem-1949	3	12	kaduna	kaduna	PROPN
eurjchem-1949	3	13	state	state	PROPN
eurjchem-1949	3	14	810107	810107	NUM
eurjchem-1949	3	15	,	,	PUNCT
eurjchem-1949	3	16	nigeria	nigeria	PROPN
eurjchem-1949	3	17	kalenephraim14@gmail.com	kalenephraim14@gmail.com	X
eurjchem-1949	3	18	(	(	PUNCT
eurjchem-1949	3	19	k.e.a	k.e.a	PROPN
eurjchem-1949	3	20	.	.	PUNCT
eurjchem-1949	3	21	)	)	PUNCT
eurjchem-1949	4	1	3	3	NUM
eurjchem-1949	4	2	department	department	NOUN
eurjchem-1949	4	3	of	of	ADP
eurjchem-1949	4	4	science	science	PROPN
eurjchem-1949	4	5	education	education	PROPN
eurjchem-1949	4	6	,	,	PUNCT
eurjchem-1949	4	7	ajasin	ajasin	PROPN
eurjchem-1949	4	8	university	university	PROPN
eurjchem-1949	4	9	,	,	PUNCT
eurjchem-1949	4	10	akungba	akungba	NOUN
eurjchem-1949	4	11	akoko	akoko	NOUN
eurjchem-1949	4	12	,	,	PUNCT
eurjchem-1949	4	13	ondo	ondo	X
eurjchem-1949	4	14	state	state	NOUN
eurjchem-1949	4	15	342211	342211	NUM
eurjchem-1949	4	16	,	,	PUNCT
eurjchem-1949	4	17	nigeria	nigeria	PROPN
eurjchem-1949	4	18	olajumokeadalumo@gmail.com	olajumokeadalumo@gmail.com	X
eurjchem-1949	4	19	(	(	PUNCT
eurjchem-1949	4	20	o.b.a	o.b.a	ADJ
eurjchem-1949	4	21	.	.	PUNCT
eurjchem-1949	4	22	)	)	PUNCT
eurjchem-1949	5	1	*	*	PUNCT
eurjchem-1949	5	2	corresponding	correspond	VERB
eurjchem-1949	5	3	author	author	NOUN
eurjchem-1949	5	4	at	at	ADP
eurjchem-1949	5	5	:	:	PUNCT
eurjchem-1949	5	6	department	department	NOUN
eurjchem-1949	5	7	of	of	ADP
eurjchem-1949	5	8	chemistry	chemistry	NOUN
eurjchem-1949	5	9	,	,	PUNCT
eurjchem-1949	5	10	ahmadu	ahmadu	PROPN
eurjchem-1949	5	11	bello	bello	PROPN
eurjchem-1949	5	12	university	university	PROPN
eurjchem-1949	5	13	,	,	PUNCT
eurjchem-1949	5	14	zaria	zaria	PROPN
eurjchem-1949	5	15	,	,	PUNCT
eurjchem-1949	5	16	kaduna	kaduna	PROPN
eurjchem-1949	5	17	state	state	PROPN
eurjchem-1949	5	18	810107	810107	NUM
eurjchem-1949	5	19	,	,	PUNCT
eurjchem-1949	5	20	nigeria	nigeria	PROPN
eurjchem-1949	5	21	.	.	PUNCT
eurjchem-1949	6	1	e	e	X
eurjchem-1949	6	2	-	-	NOUN
eurjchem-1949	6	3	mail	mail	NOUN
eurjchem-1949	6	4	:	:	PUNCT
eurjchem-1949	6	5	shola4343@gmail.com	shola4343@gmail.com	X
eurjchem-1949	7	1	(	(	PUNCT
eurjchem-1949	7	2	s.e	s.e	PROPN
eurjchem-1949	7	3	.	.	PROPN
eurjchem-1949	7	4	adeniji	adeniji	PROPN
eurjchem-1949	7	5	)	)	PUNCT
eurjchem-1949	7	6	.	.	PUNCT
eurjchem-1949	8	1	10.5155	10.5155	NUM
eurjchem-1949	8	2	/	/	SYM
eurjchem-1949	8	3	eurjchem.11.1.60	eurjchem.11.1.60	PROPN
eurjchem-1949	8	4	-	-	PUNCT
eurjchem-1949	8	5	67.1949	67.1949	NUM
eurjchem-1949	8	6	received	receive	VERB
eurjchem-1949	8	7	:	:	PUNCT
eurjchem-1949	8	8	17	17	NUM
eurjchem-1949	8	9	december	december	PROPN
eurjchem-1949	8	10	2019	2019	NUM
eurjchem-1949	8	11	received	receive	VERB
eurjchem-1949	8	12	in	in	ADP
eurjchem-1949	8	13	revised	revise	VERB
eurjchem-1949	8	14	form	form	NOUN
eurjchem-1949	8	15	:	:	PUNCT
eurjchem-1949	8	16	05	05	NUM
eurjchem-1949	8	17	february	february	NOUN
eurjchem-1949	8	18	2020	2020	NUM
eurjchem-1949	8	19	accepted	accept	VERB
eurjchem-1949	8	20	:	:	PUNCT
eurjchem-1949	8	21	07	07	NUM
eurjchem-1949	8	22	february	february	PROPN
eurjchem-1949	8	23	2020	2020	NUM
eurjchem-1949	8	24	published	publish	VERB
eurjchem-1949	8	25	online	online	ADV
eurjchem-1949	8	26	:	:	PUNCT
eurjchem-1949	8	27	31	31	NUM
eurjchem-1949	8	28	march	march	NOUN
eurjchem-1949	8	29	2020	2020	NUM
eurjchem-1949	8	30	printed	print	VERB
eurjchem-1949	8	31	:	:	PUNCT
eurjchem-1949	8	32	31	31	NUM
eurjchem-1949	8	33	march	march	NOUN
eurjchem-1949	8	34	2020	2020	NUM
eurjchem-1949	8	35	emergence	emergence	NOUN
eurjchem-1949	8	36	of	of	ADP
eurjchem-1949	8	37	multi	multi	ADJ
eurjchem-1949	8	38	-	-	ADJ
eurjchem-1949	8	39	drug	drug	ADJ
eurjchem-1949	8	40	resistant	resistant	ADJ
eurjchem-1949	8	41	strains	strain	NOUN
eurjchem-1949	8	42	of	of	ADP
eurjchem-1949	8	43	mycobacterium	mycobacterium	NOUN
eurjchem-1949	8	44	tuberculosis	tuberculosis	NOUN
eurjchem-1949	8	45	to	to	ADP
eurjchem-1949	8	46	the	the	DET
eurjchem-1949	8	47	available	available	ADJ
eurjchem-1949	8	48	drugs	drug	NOUN
eurjchem-1949	8	49	has	have	AUX
eurjchem-1949	8	50	demanded	demand	VERB
eurjchem-1949	8	51	for	for	ADP
eurjchem-1949	8	52	the	the	DET
eurjchem-1949	8	53	development	development	NOUN
eurjchem-1949	8	54	of	of	ADP
eurjchem-1949	8	55	more	more	ADV
eurjchem-1949	8	56	potent	potent	ADJ
eurjchem-1949	8	57	anti	anti	ADJ
eurjchem-1949	8	58	-	-	ADJ
eurjchem-1949	8	59	tubercular	tubercular	ADJ
eurjchem-1949	8	60	agents	agent	NOUN
eurjchem-1949	8	61	with	with	ADP
eurjchem-1949	8	62	efficient	efficient	ADJ
eurjchem-1949	8	63	pharmacological	pharmacological	ADJ
eurjchem-1949	8	64	activities	activity	NOUN
eurjchem-1949	8	65	.	.	PUNCT
eurjchem-1949	9	1	time	time	NOUN
eurjchem-1949	9	2	consumed	consume	VERB
eurjchem-1949	9	3	and	and	CCONJ
eurjchem-1949	9	4	expenses	expense	NOUN
eurjchem-1949	9	5	in	in	ADP
eurjchem-1949	9	6	discovering	discover	VERB
eurjchem-1949	9	7	and	and	CCONJ
eurjchem-1949	9	8	synthesizing	synthesize	VERB
eurjchem-1949	9	9	new	new	ADJ
eurjchem-1949	9	10	drug	drug	NOUN
eurjchem-1949	9	11	targets	target	NOUN
eurjchem-1949	9	12	with	with	ADP
eurjchem-1949	9	13	improved	improved	ADJ
eurjchem-1949	9	14	biological	biological	ADJ
eurjchem-1949	9	15	activity	activity	NOUN
eurjchem-1949	9	16	have	have	AUX
eurjchem-1949	9	17	been	be	AUX
eurjchem-1949	9	18	a	a	DET
eurjchem-1949	9	19	major	major	ADJ
eurjchem-1949	9	20	challenge	challenge	NOUN
eurjchem-1949	9	21	toward	toward	ADP
eurjchem-1949	9	22	the	the	DET
eurjchem-1949	9	23	treatment	treatment	NOUN
eurjchem-1949	9	24	of	of	ADP
eurjchem-1949	9	25	multi	multi	ADJ
eurjchem-1949	9	26	-	-	ADJ
eurjchem-1949	9	27	drug	drug	ADJ
eurjchem-1949	9	28	resistance	resistance	NOUN
eurjchem-1949	9	29	strain	strain	NOUN
eurjchem-1949	9	30	m.	m.	NOUN
eurjchem-1949	9	31	tuberculosis	tuberculosis	NOUN
eurjchem-1949	9	32	.	.	PUNCT
eurjchem-1949	10	1	to	to	PART
eurjchem-1949	10	2	solve	solve	VERB
eurjchem-1949	10	3	the	the	DET
eurjchem-1949	10	4	above	above	ADJ
eurjchem-1949	10	5	problem	problem	NOUN
eurjchem-1949	10	6	,	,	PUNCT
eurjchem-1949	10	7	quantitative	quantitative	ADJ
eurjchem-1949	10	8	structure	structure	NOUN
eurjchem-1949	10	9	activity	activity	NOUN
eurjchem-1949	10	10	relationship	relationship	NOUN
eurjchem-1949	10	11	(	(	PUNCT
eurjchem-1949	10	12	qsar	qsar	PROPN
eurjchem-1949	10	13	)	)	PUNCT
eurjchem-1949	10	14	is	be	AUX
eurjchem-1949	10	15	a	a	DET
eurjchem-1949	10	16	recent	recent	ADJ
eurjchem-1949	10	17	approach	approach	NOUN
eurjchem-1949	10	18	developed	develop	VERB
eurjchem-1949	10	19	to	to	PART
eurjchem-1949	10	20	discover	discover	VERB
eurjchem-1949	10	21	a	a	DET
eurjchem-1949	10	22	novel	novel	ADJ
eurjchem-1949	10	23	drug	drug	NOUN
eurjchem-1949	10	24	with	with	ADP
eurjchem-1949	10	25	a	a	DET
eurjchem-1949	10	26	better	well	ADJ
eurjchem-1949	10	27	biological	biological	NOUN
eurjchem-1949	10	28	against	against	ADP
eurjchem-1949	10	29	m.	m.	NOUN
eurjchem-1949	10	30	tuberculosis	tuberculosis	NOUN
eurjchem-1949	10	31	.	.	PUNCT
eurjchem-1949	11	1	a	a	DET
eurjchem-1949	11	2	validated	validate	VERB
eurjchem-1949	11	3	qsar	qsar	NOUN
eurjchem-1949	11	4	model	model	NOUN
eurjchem-1949	11	5	developed	develop	VERB
eurjchem-1949	11	6	in	in	ADP
eurjchem-1949	11	7	this	this	DET
eurjchem-1949	11	8	study	study	NOUN
eurjchem-1949	11	9	to	to	PART
eurjchem-1949	11	10	predict	predict	VERB
eurjchem-1949	11	11	the	the	DET
eurjchem-1949	11	12	biological	biological	ADJ
eurjchem-1949	11	13	activities	activity	NOUN
eurjchem-1949	11	14	of	of	ADP
eurjchem-1949	11	15	some	some	DET
eurjchem-1949	11	16	anti	anti	ADJ
eurjchem-1949	11	17	-	-	ADJ
eurjchem-1949	11	18	tubercular	tubercular	ADJ
eurjchem-1949	11	19	compounds	compound	NOUN
eurjchem-1949	11	20	and	and	CCONJ
eurjchem-1949	11	21	to	to	PART
eurjchem-1949	11	22	design	design	VERB
eurjchem-1949	11	23	new	new	ADJ
eurjchem-1949	11	24	hypothetical	hypothetical	ADJ
eurjchem-1949	11	25	drugs	drug	NOUN
eurjchem-1949	11	26	is	be	AUX
eurjchem-1949	11	27	influenced	influence	VERB
eurjchem-1949	11	28	with	with	ADP
eurjchem-1949	11	29	the	the	DET
eurjchem-1949	11	30	molecular	molecular	ADJ
eurjchem-1949	11	31	descriptors	descriptor	NOUN
eurjchem-1949	11	32	;	;	PUNCT
eurjchem-1949	11	33	aats7s	aats7s	ADV
eurjchem-1949	11	34	,	,	PUNCT
eurjchem-1949	11	35	vr1	vr1	PROPN
eurjchem-1949	11	36	-	-	PUNCT
eurjchem-1949	11	37	dzi	dzi	PROPN
eurjchem-1949	11	38	,	,	PUNCT
eurjchem-1949	11	39	vr1	vr1	PROPN
eurjchem-1949	11	40	-	-	PUNCT
eurjchem-1949	11	41	dzs	dzs	PROPN
eurjchem-1949	11	42	,	,	PUNCT
eurjchem-1949	11	43	spmin7	spmin7	PROPN
eurjchem-1949	11	44	-	-	PUNCT
eurjchem-1949	11	45	bhe	bhe	PROPN
eurjchem-1949	11	46	and	and	CCONJ
eurjchem-1949	11	47	rdf110i	rdf110i	PROPN
eurjchem-1949	11	48	.	.	PUNCT
eurjchem-1949	12	1	the	the	DET
eurjchem-1949	12	2	internal	internal	ADJ
eurjchem-1949	12	3	validation	validation	NOUN
eurjchem-1949	12	4	test	test	NOUN
eurjchem-1949	12	5	for	for	ADP
eurjchem-1949	12	6	the	the	DET
eurjchem-1949	12	7	derived	derive	VERB
eurjchem-1949	12	8	model	model	NOUN
eurjchem-1949	12	9	was	be	AUX
eurjchem-1949	12	10	found	find	VERB
eurjchem-1949	12	11	to	to	PART
eurjchem-1949	12	12	have	have	VERB
eurjchem-1949	12	13	correlation	correlation	NOUN
eurjchem-1949	12	14	coefficient	coefficient	NOUN
eurjchem-1949	12	15	(	(	PUNCT
eurjchem-1949	12	16	r2	r2	PROPN
eurjchem-1949	12	17	)	)	PUNCT
eurjchem-1949	12	18	of	of	ADP
eurjchem-1949	12	19	0.8875	0.8875	NUM
eurjchem-1949	12	20	,	,	PUNCT
eurjchem-1949	12	21	adjusted	adjust	VERB
eurjchem-1949	12	22	correlation	correlation	NOUN
eurjchem-1949	12	23	coefficient	coefficient	NOUN
eurjchem-1949	12	24	(	(	PUNCT
eurjchem-1949	12	25	r2adj	r2adj	NOUN
eurjchem-1949	12	26	)	)	PUNCT
eurjchem-1949	12	27	value	value	NOUN
eurjchem-1949	12	28	of	of	ADP
eurjchem-1949	12	29	0.8234	0.8234	NUM
eurjchem-1949	12	30	and	and	CCONJ
eurjchem-1949	12	31	leave	leave	VERB
eurjchem-1949	12	32	one	one	NUM
eurjchem-1949	12	33	out	out	ADP
eurjchem-1949	12	34	cross	cross	NOUN
eurjchem-1949	12	35	validation	validation	NOUN
eurjchem-1949	12	36	coefficient	coefficient	NOUN
eurjchem-1949	12	37	(	(	PUNCT
eurjchem-1949	12	38	qcv2	qcv2	PROPN
eurjchem-1949	12	39	)	)	PUNCT
eurjchem-1949	12	40	value	value	NOUN
eurjchem-1949	12	41	of	of	ADP
eurjchem-1949	12	42	0.8012	0.8012	NUM
eurjchem-1949	12	43	while	while	SCONJ
eurjchem-1949	12	44	the	the	DET
eurjchem-1949	12	45	external	external	ADJ
eurjchem-1949	12	46	validation	validation	NOUN
eurjchem-1949	12	47	test	test	NOUN
eurjchem-1949	12	48	was	be	AUX
eurjchem-1949	12	49	found	find	VERB
eurjchem-1949	12	50	to	to	PART
eurjchem-1949	12	51	have	have	VERB
eurjchem-1949	12	52	(	(	PUNCT
eurjchem-1949	12	53	r2test	r2test	NOUN
eurjchem-1949	12	54	)	)	PUNCT
eurjchem-1949	12	55	of	of	ADP
eurjchem-1949	12	56	0.7961	0.7961	NUM
eurjchem-1949	12	57	and	and	CCONJ
eurjchem-1949	12	58	y	y	NOUN
eurjchem-1949	12	59	-	-	PUNCT
eurjchem-1949	12	60	randomization	randomization	NOUN
eurjchem-1949	12	61	coefficient	coefficient	NOUN
eurjchem-1949	12	62	(	(	PUNCT
eurjchem-1949	12	63	crp2	crp2	PROPN
eurjchem-1949	12	64	)	)	PUNCT
eurjchem-1949	12	65	of	of	ADP
eurjchem-1949	12	66	0.6832	0.6832	NUM
eurjchem-1949	12	67	.	.	PUNCT
eurjchem-1949	13	1	molecular	molecular	ADJ
eurjchem-1949	13	2	docking	docking	NOUN
eurjchem-1949	13	3	shows	show	VERB
eurjchem-1949	13	4	that	that	PRON
eurjchem-1949	13	5	ligand	ligand	VERB
eurjchem-1949	13	6	13	13	NUM
eurjchem-1949	13	7	of	of	ADP
eurjchem-1949	13	8	2,4	2,4	NUM
eurjchem-1949	13	9	-	-	PUNCT
eurjchem-1949	13	10	disubstituted	disubstitute	VERB
eurjchem-1949	13	11	quinoline	quinoline	NOUN
eurjchem-1949	13	12	derivatives	derivative	NOUN
eurjchem-1949	13	13	have	have	AUX
eurjchem-1949	13	14	promising	promise	VERB
eurjchem-1949	13	15	higher	high	ADJ
eurjchem-1949	13	16	binding	bind	VERB
eurjchem-1949	13	17	score	score	NOUN
eurjchem-1949	13	18	of	of	ADP
eurjchem-1949	13	19	18.8	18.8	NUM
eurjchem-1949	13	20	kcal	kcal	NOUN
eurjchem-1949	13	21	/	/	SYM
eurjchem-1949	13	22	mol	mol	NOUN
eurjchem-1949	13	23	compared	compare	VERB
eurjchem-1949	13	24	to	to	ADP
eurjchem-1949	13	25	the	the	DET
eurjchem-1949	13	26	recommended	recommend	VERB
eurjchem-1949	13	27	drugs	drug	NOUN
eurjchem-1949	13	28	;	;	PUNCT
eurjchem-1949	13	29	isoniazid	isoniazid	NOUN
eurjchem-1949	13	30	-14.6	-14.6	NUM
eurjchem-1949	13	31	kcal	kcal	PROPN
eurjchem-1949	13	32	/	/	SYM
eurjchem-1949	13	33	mol	mol	PROPN
eurjchem-1949	13	34	.	.	PUNCT
eurjchem-1949	14	1	the	the	DET
eurjchem-1949	14	2	proposed	propose	VERB
eurjchem-1949	14	3	qsar	qsar	NOUN
eurjchem-1949	14	4	model	model	NOUN
eurjchem-1949	14	5	and	and	CCONJ
eurjchem-1949	14	6	molecular	molecular	ADJ
eurjchem-1949	14	7	docking	docking	NOUN
eurjchem-1949	14	8	studies	study	NOUN
eurjchem-1949	14	9	will	will	AUX
eurjchem-1949	14	10	provides	provide	VERB
eurjchem-1949	14	11	valuable	valuable	ADJ
eurjchem-1949	14	12	approach	approach	NOUN
eurjchem-1949	14	13	for	for	ADP
eurjchem-1949	14	14	the	the	DET
eurjchem-1949	14	15	modification	modification	NOUN
eurjchem-1949	14	16	of	of	ADP
eurjchem-1949	14	17	the	the	DET
eurjchem-1949	14	18	lead	lead	NOUN
eurjchem-1949	14	19	compound	compound	NOUN
eurjchem-1949	14	20	,	,	PUNCT
eurjchem-1949	14	21	designing	designing	NOUN
eurjchem-1949	14	22	and	and	CCONJ
eurjchem-1949	14	23	synthesis	synthesis	NOUN
eurjchem-1949	14	24	more	more	ADV
eurjchem-1949	14	25	potent	potent	ADJ
eurjchem-1949	14	26	anti	anti	ADJ
eurjchem-1949	14	27	-	-	ADJ
eurjchem-1949	14	28	tubercular	tubercular	ADJ
eurjchem-1949	14	29	agents	agent	NOUN
eurjchem-1949	14	30	.	.	PUNCT
eurjchem-1949	15	1	qsar	qsar	NOUN
eurjchem-1949	15	2	docking	dock	VERB
eurjchem-1949	15	3	quinoline	quinoline	NOUN
eurjchem-1949	15	4	descriptor	descriptor	NOUN
eurjchem-1949	15	5	tuberculosis	tuberculosis	ADP
eurjchem-1949	15	6	anti	anti	ADJ
eurjchem-1949	15	7	-	-	ADJ
eurjchem-1949	15	8	tubercular	tubercular	ADJ
eurjchem-1949	15	9	agents	agent	NOUN
eurjchem-1949	15	10	cite	cite	VERB
eurjchem-1949	15	11	this	this	PRON
eurjchem-1949	15	12	:	:	PUNCT
eurjchem-1949	15	13	eur	eur	PROPN
eurjchem-1949	15	14	.	.	PUNCT
eurjchem-1949	16	1	j.	j.	PROPN
eurjchem-1949	16	2	chem	chem	PROPN
eurjchem-1949	16	3	.	.	PUNCT
eurjchem-1949	17	1	2020	2020	NUM
eurjchem-1949	17	2	,	,	PUNCT
eurjchem-1949	17	3	11(1	11(1	NUM
eurjchem-1949	17	4	)	)	PUNCT
eurjchem-1949	17	5	,	,	PUNCT
eurjchem-1949	17	6	60	60	NUM
eurjchem-1949	17	7	-	-	SYM
eurjchem-1949	17	8	67	67	NUM
eurjchem-1949	17	9	journal	journal	NOUN
eurjchem-1949	17	10	website	website	NOUN
eurjchem-1949	17	11	:	:	PUNCT
eurjchem-1949	17	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-1949	17	13	1	1	X
eurjchem-1949	17	14	.	.	PUNCT
eurjchem-1949	17	15	introduction	introduction	NOUN
eurjchem-1949	17	16	over	over	ADP
eurjchem-1949	17	17	the	the	DET
eurjchem-1949	17	18	years	year	NOUN
eurjchem-1949	17	19	,	,	PUNCT
eurjchem-1949	17	20	tuberculosis	tuberculosis	NOUN
eurjchem-1949	17	21	has	have	AUX
eurjchem-1949	17	22	been	be	AUX
eurjchem-1949	17	23	a	a	DET
eurjchem-1949	17	24	serious	serious	ADJ
eurjchem-1949	17	25	threat	threat	NOUN
eurjchem-1949	17	26	to	to	ADP
eurjchem-1949	17	27	mankind	mankind	NOUN
eurjchem-1949	17	28	which	which	PRON
eurjchem-1949	17	29	is	be	AUX
eurjchem-1949	17	30	caused	cause	VERB
eurjchem-1949	17	31	by	by	ADP
eurjchem-1949	17	32	specie	specie	NOUN
eurjchem-1949	17	33	of	of	ADP
eurjchem-1949	17	34	bacteria	bacteria	NOUN
eurjchem-1949	17	35	known	know	VERB
eurjchem-1949	17	36	as	as	ADP
eurjchem-1949	17	37	mycobacterium	mycobacterium	NOUN
eurjchem-1949	17	38	tuberculosis	tuberculosis	NOUN
eurjchem-1949	17	39	(	(	PUNCT
eurjchem-1949	17	40	tb	tb	NOUN
eurjchem-1949	17	41	)	)	PUNCT
eurjchem-1949	17	42	.	.	PUNCT
eurjchem-1949	18	1	world	world	PROPN
eurjchem-1949	18	2	health	health	PROPN
eurjchem-1949	18	3	organization	organization	NOUN
eurjchem-1949	18	4	in	in	ADP
eurjchem-1949	18	5	2018	2018	NUM
eurjchem-1949	18	6	,	,	PUNCT
eurjchem-1949	18	7	has	have	AUX
eurjchem-1949	18	8	reported	report	VERB
eurjchem-1949	18	9	9.0	9.0	NUM
eurjchem-1949	18	10	million	million	NUM
eurjchem-1949	18	11	people	people	NOUN
eurjchem-1949	18	12	infected	infect	VERB
eurjchem-1949	18	13	with	with	ADP
eurjchem-1949	18	14	tuberculosis	tuberculosis	NOUN
eurjchem-1949	18	15	,	,	PUNCT
eurjchem-1949	18	16	360,000	360,000	NUM
eurjchem-1949	18	17	hiv	hiv	NOUN
eurjchem-1949	18	18	patient	patient	NOUN
eurjchem-1949	18	19	whom	whom	PRON
eurjchem-1949	18	20	were	be	AUX
eurjchem-1949	18	21	leaving	leave	VERB
eurjchem-1949	18	22	with	with	ADP
eurjchem-1949	18	23	tuberculosis	tuberculosis	NOUN
eurjchem-1949	18	24	,	,	PUNCT
eurjchem-1949	18	25	death	death	NOUN
eurjchem-1949	18	26	of	of	ADP
eurjchem-1949	18	27	230,000	230,000	NUM
eurjchem-1949	18	28	children	child	NOUN
eurjchem-1949	18	29	and	and	CCONJ
eurjchem-1949	18	30	death	death	NOUN
eurjchem-1949	18	31	of	of	ADP
eurjchem-1949	18	32	1.6	1.6	NUM
eurjchem-1949	18	33	million	million	NUM
eurjchem-1949	18	34	people	people	NOUN
eurjchem-1949	18	35	worldwide	worldwide	ADV
eurjchem-1949	19	1	[	[	X
eurjchem-1949	19	2	1	1	NUM
eurjchem-1949	19	3	]	]	PUNCT
eurjchem-1949	19	4	.	.	PUNCT
eurjchem-1949	20	1	tuberculosis	tuberculosis	NOUN
eurjchem-1949	20	2	may	may	AUX
eurjchem-1949	20	3	infect	infect	VERB
eurjchem-1949	20	4	any	any	DET
eurjchem-1949	20	5	part	part	NOUN
eurjchem-1949	20	6	of	of	ADP
eurjchem-1949	20	7	the	the	DET
eurjchem-1949	20	8	body	body	NOUN
eurjchem-1949	20	9	,	,	PUNCT
eurjchem-1949	20	10	but	but	CCONJ
eurjchem-1949	20	11	most	most	ADV
eurjchem-1949	20	12	commonly	commonly	ADV
eurjchem-1949	20	13	occurs	occur	VERB
eurjchem-1949	20	14	in	in	ADP
eurjchem-1949	20	15	the	the	DET
eurjchem-1949	20	16	lungs	lung	NOUN
eurjchem-1949	20	17	(	(	PUNCT
eurjchem-1949	20	18	known	know	VERB
eurjchem-1949	20	19	as	as	ADP
eurjchem-1949	20	20	pulmonary	pulmonary	ADJ
eurjchem-1949	20	21	tuberculosis	tuberculosis	NOUN
eurjchem-1949	20	22	)	)	PUNCT
eurjchem-1949	20	23	.	.	PUNCT
eurjchem-1949	21	1	extra	extra	ADJ
eurjchem-1949	21	2	-	-	ADJ
eurjchem-1949	21	3	pulmonary	pulmonary	ADJ
eurjchem-1949	21	4	tb	tb	NOUN
eurjchem-1949	21	5	occurs	occur	VERB
eurjchem-1949	21	6	when	when	SCONJ
eurjchem-1949	21	7	tuberculosis	tuberculosis	NOUN
eurjchem-1949	21	8	develops	develop	VERB
eurjchem-1949	21	9	outside	outside	ADP
eurjchem-1949	21	10	of	of	ADP
eurjchem-1949	21	11	the	the	DET
eurjchem-1949	21	12	lungs	lung	NOUN
eurjchem-1949	21	13	,	,	PUNCT
eurjchem-1949	21	14	although	although	SCONJ
eurjchem-1949	21	15	extra	extra	ADJ
eurjchem-1949	21	16	-	-	ADJ
eurjchem-1949	21	17	pulmonary	pulmonary	ADJ
eurjchem-1949	21	18	tb	tb	NOUN
eurjchem-1949	21	19	may	may	AUX
eurjchem-1949	21	20	coexist	coexist	VERB
eurjchem-1949	21	21	with	with	ADP
eurjchem-1949	21	22	pulmonary	pulmonary	ADJ
eurjchem-1949	21	23	tb	tb	NOUN
eurjchem-1949	21	24	.	.	PUNCT
eurjchem-1949	22	1	some	some	PRON
eurjchem-1949	22	2	of	of	ADP
eurjchem-1949	22	3	the	the	DET
eurjchem-1949	22	4	notable	notable	ADJ
eurjchem-1949	22	5	commercial	commercial	ADJ
eurjchem-1949	22	6	sold	sell	VERB
eurjchem-1949	22	7	drugs	drug	NOUN
eurjchem-1949	22	8	administered	administer	VERB
eurjchem-1949	22	9	to	to	ADP
eurjchem-1949	22	10	people	people	NOUN
eurjchem-1949	22	11	infected	infect	VERB
eurjchem-1949	22	12	with	with	ADP
eurjchem-1949	22	13	tuberculosis	tuberculosis	NOUN
eurjchem-1949	22	14	are	be	AUX
eurjchem-1949	22	15	isoniazide	isoniazide	ADJ
eurjchem-1949	22	16	(	(	PUNCT
eurjchem-1949	22	17	inh	inh	PROPN
eurjchem-1949	22	18	)	)	PUNCT
eurjchem-1949	22	19	,	,	PUNCT
eurjchem-1949	22	20	pyrazinamide	pyrazinamide	INTJ
eurjchem-1949	22	21	(	(	PUNCT
eurjchem-1949	22	22	pza	pza	NOUN
eurjchem-1949	22	23	)	)	PUNCT
eurjchem-1949	22	24	,	,	PUNCT
eurjchem-1949	22	25	rifampicin	rifampicin	VERB
eurjchem-1949	22	26	(	(	PUNCT
eurjchem-1949	22	27	rmp	rmp	PROPN
eurjchem-1949	22	28	)	)	PUNCT
eurjchem-1949	22	29	and	and	CCONJ
eurjchem-1949	22	30	para	para	ADJ
eurjchem-1949	22	31	-	-	PUNCT
eurjchem-1949	22	32	amino	amino	NOUN
eurjchem-1949	22	33	salicylic	salicylic	NOUN
eurjchem-1949	22	34	acid	acid	NOUN
eurjchem-1949	22	35	(	(	PUNCT
eurjchem-1949	22	36	pas	pas	PROPN
eurjchem-1949	22	37	)	)	PUNCT
eurjchem-1949	22	38	.	.	PUNCT
eurjchem-1949	23	1	the	the	DET
eurjchem-1949	23	2	emergence	emergence	NOUN
eurjchem-1949	23	3	of	of	ADP
eurjchem-1949	23	4	multi	multi	ADJ
eurjchem-1949	23	5	-	-	ADJ
eurjchem-1949	23	6	drug	drug	ADJ
eurjchem-1949	23	7	resistance	resistance	NOUN
eurjchem-1949	23	8	strain	strain	NOUN
eurjchem-1949	23	9	of	of	ADP
eurjchem-1949	23	10	m.	m.	NOUN
eurjchem-1949	23	11	tuberculosis	tuberculosis	NOUN
eurjchem-1949	23	12	toward	toward	ADP
eurjchem-1949	23	13	the	the	DET
eurjchem-1949	23	14	aforementioned	aforementioned	ADJ
eurjchem-1949	23	15	drugs	drug	NOUN
eurjchem-1949	23	16	has	have	AUX
eurjchem-1949	23	17	led	lead	VERB
eurjchem-1949	23	18	to	to	ADP
eurjchem-1949	23	19	advances	advance	NOUN
eurjchem-1949	23	20	in	in	ADP
eurjchem-1949	23	21	searching	search	VERB
eurjchem-1949	23	22	for	for	ADP
eurjchem-1949	23	23	new	new	ADJ
eurjchem-1949	23	24	and	and	CCONJ
eurjchem-1949	23	25	better	well	ADJ
eurjchem-1949	23	26	approach	approach	NOUN
eurjchem-1949	23	27	that	that	PRON
eurjchem-1949	23	28	is	be	AUX
eurjchem-1949	23	29	precise	precise	ADJ
eurjchem-1949	23	30	and	and	CCONJ
eurjchem-1949	23	31	fast	fast	VERB
eurjchem-1949	23	32	in	in	ADP
eurjchem-1949	23	33	developing	develop	VERB
eurjchem-1949	23	34	a	a	DET
eurjchem-1949	23	35	novel	novel	ADJ
eurjchem-1949	23	36	compound	compound	NOUN
eurjchem-1949	23	37	with	with	ADP
eurjchem-1949	23	38	improved	improved	ADJ
eurjchem-1949	23	39	biological	biological	ADJ
eurjchem-1949	23	40	activity	activity	NOUN
eurjchem-1949	23	41	against	against	ADP
eurjchem-1949	23	42	m.	m.	NOUN
eurjchem-1949	23	43	tuberculosis	tuberculosis	NOUN
eurjchem-1949	23	44	.	.	PUNCT
eurjchem-1949	24	1	for	for	ADP
eurjchem-1949	24	2	the	the	DET
eurjchem-1949	24	3	time	time	NOUN
eurjchem-1949	24	4	being	be	AUX
eurjchem-1949	24	5	,	,	PUNCT
eurjchem-1949	24	6	qsar	qsar	PROPN
eurjchem-1949	24	7	is	be	AUX
eurjchem-1949	24	8	a	a	DET
eurjchem-1949	24	9	theoretical	theoretical	ADJ
eurjchem-1949	24	10	approach	approach	NOUN
eurjchem-1949	24	11	with	with	ADP
eurjchem-1949	24	12	widely	widely	ADV
eurjchem-1949	24	13	used	use	VERB
eurjchem-1949	24	14	computational	computational	ADJ
eurjchem-1949	24	15	method	method	NOUN
eurjchem-1949	24	16	in	in	ADP
eurjchem-1949	24	17	predicting	predict	VERB
eurjchem-1949	24	18	and	and	CCONJ
eurjchem-1949	24	19	designing	design	VERB
eurjchem-1949	24	20	new	new	ADJ
eurjchem-1949	24	21	hypothetical	hypothetical	ADJ
eurjchem-1949	24	22	drug	drug	NOUN
eurjchem-1949	24	23	candidate	candidate	NOUN
eurjchem-1949	24	24	[	[	X
eurjchem-1949	24	25	2	2	NUM
eurjchem-1949	24	26	]	]	PUNCT
eurjchem-1949	24	27	.	.	PUNCT
eurjchem-1949	25	1	multi	multi	ADJ
eurjchem-1949	25	2	-	-	ADJ
eurjchem-1949	25	3	variant	variant	ADJ
eurjchem-1949	25	4	qsar	qsar	NOUN
eurjchem-1949	25	5	model	model	NOUN
eurjchem-1949	25	6	is	be	AUX
eurjchem-1949	25	7	expressed	express	VERB
eurjchem-1949	25	8	mathematically	mathematically	ADV
eurjchem-1949	25	9	to	to	PART
eurjchem-1949	25	10	relates	relate	VERB
eurjchem-1949	25	11	the	the	DET
eurjchem-1949	25	12	biological	biological	ADJ
eurjchem-1949	25	13	activity	activity	NOUN
eurjchem-1949	25	14	of	of	ADP
eurjchem-1949	25	15	each	each	DET
eurjchem-1949	25	16	compound	compound	NOUN
eurjchem-1949	25	17	with	with	ADP
eurjchem-1949	25	18	its	its	PRON
eurjchem-1949	25	19	respective	respective	ADJ
eurjchem-1949	25	20	molecular	molecular	ADJ
eurjchem-1949	25	21	structures	structure	NOUN
eurjchem-1949	25	22	.	.	PUNCT
eurjchem-1949	26	1	meanwhile	meanwhile	ADV
eurjchem-1949	26	2	,	,	PUNCT
eurjchem-1949	26	3	some	some	DET
eurjchem-1949	26	4	prominent	prominent	ADJ
eurjchem-1949	26	5	researchers	researcher	NOUN
eurjchem-1949	26	6	[	[	X
eurjchem-1949	26	7	3	3	NUM
eurjchem-1949	26	8	-	-	SYM
eurjchem-1949	26	9	7	7	NUM
eurjchem-1949	26	10	]	]	PUNCT
eurjchem-1949	26	11	have	have	VERB
eurjchem-1949	26	12	successful	successful	ADJ
eurjchem-1949	26	13	established	establish	VERB
eurjchem-1949	26	14	qsar	qsar	NOUN
eurjchem-1949	26	15	models	model	NOUN
eurjchem-1949	26	16	to	to	PART
eurjchem-1949	26	17	show	show	VERB
eurjchem-1949	26	18	the	the	DET
eurjchem-1949	26	19	relationship	relationship	NOUN
eurjchem-1949	26	20	between	between	ADP
eurjchem-1949	26	21	some	some	DET
eurjchem-1949	26	22	anti	anti	ADJ
eurjchem-1949	26	23	-	-	ADJ
eurjchem-1949	26	24	m.	m.	ADJ
eurjchem-1949	26	25	tuberculosis	tuberculosis	NOUN
eurjchem-1949	26	26	inhibitor	inhibitor	NOUN
eurjchem-1949	26	27	’s	’	VERB
eurjchem-1949	26	28	such	such	ADJ
eurjchem-1949	26	29	as	as	ADP
eurjchem-1949	26	30	;	;	PUNCT
eurjchem-1949	26	31	chalcone	chalcone	NOUN
eurjchem-1949	26	32	,	,	PUNCT
eurjchem-1949	26	33	quinolone	quinolone	NOUN
eurjchem-1949	26	34	,	,	PUNCT
eurjchem-1949	26	35	7	7	NUM
eurjchem-1949	26	36	-	-	PUNCT
eurjchem-1949	26	37	methyijuglone	methyijuglone	NOUN
eurjchem-1949	26	38	,	,	PUNCT
eurjchem-1949	26	39	pyrrole	pyrrole	NOUN
eurjchem-1949	26	40	and	and	CCONJ
eurjchem-1949	26	41	their	their	PRON
eurjchem-1949	26	42	respective	respective	ADJ
eurjchem-1949	26	43	biological	biological	ADJ
eurjchem-1949	26	44	activities	activity	NOUN
eurjchem-1949	26	45	using	use	VERB
eurjchem-1949	26	46	qsar	qsar	NOUN
eurjchem-1949	26	47	approach	approach	NOUN
eurjchem-1949	26	48	.	.	PUNCT
eurjchem-1949	27	1	however	however	ADV
eurjchem-1949	27	2	,	,	PUNCT
eurjchem-1949	27	3	qsar	qsar	VERB
eurjchem-1949	27	4	alongside	alongside	ADV
eurjchem-1949	27	5	with	with	ADP
eurjchem-1949	27	6	molecular	molecular	ADJ
eurjchem-1949	27	7	docking	docking	NOUN
eurjchem-1949	27	8	simulation	simulation	NOUN
eurjchem-1949	27	9	study	study	NOUN
eurjchem-1949	27	10	have	have	AUX
eurjchem-1949	27	11	not	not	PART
eurjchem-1949	27	12	been	be	AUX
eurjchem-1949	27	13	fully	fully	ADV
eurjchem-1949	27	14	established	establish	VERB
eurjchem-1949	27	15	to	to	PART
eurjchem-1949	27	16	relate	relate	VERB
eurjchem-1949	27	17	the	the	DET
eurjchem-1949	27	18	structures	structure	NOUN
eurjchem-1949	27	19	and	and	CCONJ
eurjchem-1949	27	20	activities	activity	NOUN
eurjchem-1949	27	21	of	of	ADP
eurjchem-1949	27	22	the	the	DET
eurjchem-1949	27	23	inhibitory	inhibitory	ADJ
eurjchem-1949	27	24	compounds	compound	NOUN
eurjchem-1949	27	25	as	as	ADV
eurjchem-1949	27	26	well	well	ADV
eurjchem-1949	27	27	as	as	ADP
eurjchem-1949	27	28	the	the	DET
eurjchem-1949	27	29	interaction	interaction	NOUN
eurjchem-1949	27	30	mode	mode	NOUN
eurjchem-1949	27	31	with	with	ADP
eurjchem-1949	27	32	the	the	DET
eurjchem-1949	27	33	receptor	receptor	NOUN
eurjchem-1949	27	34	(	(	PUNCT
eurjchem-1949	27	35	dna	dna	NOUN
eurjchem-1949	27	36	gyrase	gyrase	NOUN
eurjchem-1949	27	37	)	)	PUNCT
eurjchem-1949	27	38	.	.	PUNCT
eurjchem-1949	28	1	hence	hence	ADV
eurjchem-1949	28	2	,	,	PUNCT
eurjchem-1949	28	3	this	this	DET
eurjchem-1949	28	4	research	research	NOUN
eurjchem-1949	28	5	was	be	AUX
eurjchem-1949	28	6	aimed	aim	VERB
eurjchem-1949	28	7	to	to	PART
eurjchem-1949	28	8	build	build	VERB
eurjchem-1949	28	9	a	a	DET
eurjchem-1949	28	10	robust	robust	ADJ
eurjchem-1949	28	11	qsar	qsar	NOUN
eurjchem-1949	28	12	model	model	NOUN
eurjchem-1949	28	13	with	with	ADP
eurjchem-1949	28	14	high	high	ADJ
eurjchem-1949	28	15	abstract	abstract	ADJ
eurjchem-1949	28	16	research	research	NOUN
eurjchem-1949	28	17	article	article	NOUN
eurjchem-1949	28	18	keywords	keyword	VERB
eurjchem-1949	28	19	european	european	PROPN
eurjchem-1949	28	20	journal	journal	PROPN
eurjchem-1949	28	21	of	of	ADP
eurjchem-1949	28	22	chemistry	chemistry	NOUN
eurjchem-1949	28	23	issn	issn	VERB
eurjchem-1949	28	24	2153	2153	NUM
eurjchem-1949	28	25	-	-	SYM
eurjchem-1949	28	26	2249	2249	NUM
eurjchem-1949	28	27	(	(	PUNCT
eurjchem-1949	28	28	print	print	NOUN
eurjchem-1949	28	29	)	)	PUNCT
eurjchem-1949	28	30	/	/	PUNCT
eurjchem-1949	28	31	issn	issn	PROPN
eurjchem-1949	28	32	2153	2153	NUM
eurjchem-1949	28	33	-	-	SYM
eurjchem-1949	28	34	2257	2257	NUM
eurjchem-1949	28	35	(	(	PUNCT
eurjchem-1949	28	36	online	online	ADJ
eurjchem-1949	28	37	)	)	PUNCT
eurjchem-1949	28	38	–	–	PUNCT
eurjchem-1949	29	1	copyright	copyright	NOUN
eurjchem-1949	29	2	©	©	PROPN
eurjchem-1949	29	3	2020	2020	NUM
eurjchem-1949	29	4	the	the	DET
eurjchem-1949	29	5	authors	author	NOUN
eurjchem-1949	29	6	–	–	PUNCT
eurjchem-1949	29	7	atlanta	atlanta	PROPN
eurjchem-1949	29	8	publishing	publishing	PROPN
eurjchem-1949	29	9	house	house	PROPN
eurjchem-1949	29	10	llc	llc	PROPN
eurjchem-1949	29	11	–	–	PUNCT
eurjchem-1949	29	12	printed	print	VERB
eurjchem-1949	29	13	in	in	ADP
eurjchem-1949	29	14	the	the	DET
eurjchem-1949	29	15	usa	usa	PROPN
eurjchem-1949	29	16	.	.	PUNCT
eurjchem-1949	30	1	this	this	DET
eurjchem-1949	30	2	work	work	NOUN
eurjchem-1949	30	3	is	be	AUX
eurjchem-1949	30	4	published	publish	VERB
eurjchem-1949	30	5	and	and	CCONJ
eurjchem-1949	30	6	licensed	license	VERB
eurjchem-1949	30	7	by	by	ADP
eurjchem-1949	30	8	atlanta	atlanta	PROPN
eurjchem-1949	30	9	publishing	publishing	PROPN
eurjchem-1949	30	10	house	house	PROPN
eurjchem-1949	30	11	llc	llc	PROPN
eurjchem-1949	30	12	–	–	PUNCT
eurjchem-1949	30	13	cc	cc	PROPN
eurjchem-1949	30	14	by	by	ADP
eurjchem-1949	30	15	nc	nc	PROPN
eurjchem-1949	30	16	–	–	PUNCT
eurjchem-1949	30	17	some	some	DET
eurjchem-1949	30	18	rights	right	NOUN
eurjchem-1949	30	19	reserved	reserve	VERB
eurjchem-1949	30	20	.	.	PUNCT
eurjchem-1949	31	1	http://dx.doi.org/10.5155/eurjchem.11.1.60-67.1949	http://dx.doi.org/10.5155/eurjchem.11.1.60-67.1949	PROPN
eurjchem-1949	31	2	http://dx.doi.org/10.5155/eurjchem.11.1.60-67.1949	http://dx.doi.org/10.5155/eurjchem.11.1.60-67.1949	PROPN
eurjchem-1949	31	3	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.11.1.60-67.1949&domain=pdf&date_stamp=2020-03-31	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.11.1.60-67.1949&domain=pdf&date_stamp=2020-03-31	VERB
eurjchem-1949	31	4	http://www.eurjchem.com/	http://www.eurjchem.com/	NOUN
eurjchem-1949	31	5	http://dx.doi.org/10.5155/eurjchem.11.1.60-67.1949	http://dx.doi.org/10.5155/eurjchem.11.1.60-67.1949	PROPN
eurjchem-1949	31	6	mailto:shola4343@gmail.com	mailto:shola4343@gmail.com	PROPN
eurjchem-1949	31	7	mailto:femiagie@gmail.com	mailto:femiagie@gmail.com	X
eurjchem-1949	32	1	mailto:kalenephraim14@gmail.com	mailto:kalenephraim14@gmail.com	X
eurjchem-1949	32	2	mailto:olajumokeadalumo@gmail.com	mailto:olajumokeadalumo@gmail.com	PROPN
eurjchem-1949	32	3	mailto:shola4343@gmail.com	mailto:shola4343@gmail.com	PROPN
eurjchem-1949	32	4	http://www.eurjchem.com/	http://www.eurjchem.com/	PROPN
eurjchem-1949	32	5	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.11.1.60-67.1949&domain=pdf&date_stamp=2020-03-31	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.11.1.60-67.1949&domain=pdf&date_stamp=2020-03-31	PROPN
eurjchem-1949	32	6	�	�	PROPN
eurjchem-1949	32	7	adeniji	adeniji	PROPN
eurjchem-1949	32	8	et	et	PROPN
eurjchem-1949	32	9	al	al	PROPN
eurjchem-1949	32	10	.	.	PUNCT
eurjchem-1949	32	11	/	/	SYM
eurjchem-1949	32	12	european	european	PROPN
eurjchem-1949	32	13	journal	journal	PROPN
eurjchem-1949	32	14	of	of	ADP
eurjchem-1949	32	15	chemistry	chemistry	NOUN
eurjchem-1949	32	16	11	11	NUM
eurjchem-1949	32	17	(	(	PUNCT
eurjchem-1949	32	18	1	1	NUM
eurjchem-1949	32	19	)	)	PUNCT
eurjchem-1949	32	20	(	(	PUNCT
eurjchem-1949	32	21	2020	2020	NUM
eurjchem-1949	32	22	)	)	PUNCT
eurjchem-1949	33	1	60	60	NUM
eurjchem-1949	33	2	-	-	SYM
eurjchem-1949	33	3	67	67	NUM
eurjchem-1949	33	4	61	61	NUM
eurjchem-1949	33	5	table	table	NOUN
eurjchem-1949	33	6	1	1	NUM
eurjchem-1949	33	7	.	.	PUNCT
eurjchem-1949	34	1	molecular	molecular	ADJ
eurjchem-1949	34	2	structures	structure	NOUN
eurjchem-1949	34	3	of	of	ADP
eurjchem-1949	34	4	inhibitory	inhibitory	ADJ
eurjchem-1949	34	5	compounds	compound	NOUN
eurjchem-1949	34	6	and	and	CCONJ
eurjchem-1949	34	7	their	their	PRON
eurjchem-1949	34	8	derivatives	derivative	NOUN
eurjchem-1949	34	9	as	as	ADP
eurjchem-1949	34	10	anti	anti	ADJ
eurjchem-1949	34	11	-	-	ADJ
eurjchem-1949	34	12	tubercular	tubercular	ADJ
eurjchem-1949	34	13	agents	agent	NOUN
eurjchem-1949	34	14	.	.	PUNCT
eurjchem-1949	35	1	s	s	X
eurjchem-1949	35	2	/	/	SYM
eurjchem-1949	35	3	n	n	CCONJ
eurjchem-1949	35	4	*	*	ADJ
eurjchem-1949	35	5	molecular	molecular	ADJ
eurjchem-1949	35	6	structure	structure	NOUN
eurjchem-1949	35	7	observed	observe	VERB
eurjchem-1949	35	8	activity	activity	NOUN
eurjchem-1949	35	9	(	(	PUNCT
eurjchem-1949	35	10	pa	pa	NOUN
eurjchem-1949	35	11	)	)	PUNCT
eurjchem-1949	35	12	calculated	calculate	VERB
eurjchem-1949	35	13	activity	activity	NOUN
eurjchem-1949	35	14	(	(	PUNCT
eurjchem-1949	35	15	pa	pa	NOUN
eurjchem-1949	35	16	)	)	PUNCT
eurjchem-1949	35	17	residual	residual	ADJ
eurjchem-1949	35	18	1a	1a	PROPN
eurjchem-1949	35	19	2-(2-(4	2-(2-(4	NUM
eurjchem-1949	35	20	-	-	PUNCT
eurjchem-1949	35	21	methoxybenzylidene)hydrazinyl)-n	methoxybenzylidene)hydrazinyl)-n	ADJ
eurjchem-1949	35	22	-	-	PUNCT
eurjchem-1949	35	23	phenylquinoline-4	phenylquinoline-4	NOUN
eurjchem-1949	35	24	-	-	PUNCT
eurjchem-1949	35	25	carboxamide	carboxamide	NOUN
eurjchem-1949	35	26	9.4979	9.4979	NUM
eurjchem-1949	35	27	9.731930	9.731930	NUM
eurjchem-1949	35	28	-0.234030	-0.234030	NOUN
eurjchem-1949	35	29	2	2	NUM
eurjchem-1949	35	30	2-(2-(4	2-(2-(4	NUM
eurjchem-1949	35	31	-	-	PUNCT
eurjchem-1949	35	32	methoxybenzylidene)hydrazinyl)-n	methoxybenzylidene)hydrazinyl)-n	ADJ
eurjchem-1949	35	33	-	-	PUNCT
eurjchem-1949	35	34	phenylquinoline-4	phenylquinoline-4	NOUN
eurjchem-1949	35	35	-	-	PUNCT
eurjchem-1949	35	36	carboxamide	carboxamide	NOUN
eurjchem-1949	35	37	6.9772	6.9772	NUM
eurjchem-1949	36	1	6.896778	6.896778	NUM
eurjchem-1949	36	2	0.080422	0.080422	NUM
eurjchem-1949	36	3	3	3	NUM
eurjchem-1949	36	4	a	a	DET
eurjchem-1949	36	5	n	n	CCONJ
eurjchem-1949	36	6	-	-	PUNCT
eurjchem-1949	36	7	benzyl-2-(2-(pyridin-3	benzyl-2-(2-(pyridin-3	VERB
eurjchem-1949	36	8	-	-	PUNCT
eurjchem-1949	36	9	ylmethylene)hydrazinyl)quinoline-4	ylmethylene)hydrazinyl)quinoline-4	NOUN
eurjchem-1949	36	10	-	-	PUNCT
eurjchem-1949	36	11	carboxamide	carboxamide	NOUN
eurjchem-1949	36	12	7.2608	7.2608	NUM
eurjchem-1949	36	13	6.510442	6.510442	NUM
eurjchem-1949	36	14	0.750358	0.750358	NUM
eurjchem-1949	36	15	4	4	NUM
eurjchem-1949	36	16	n	n	CCONJ
eurjchem-1949	36	17	-	-	PUNCT
eurjchem-1949	36	18	benzyl-2-(2-(furan-2	benzyl-2-(2-(furan-2	NOUN
eurjchem-1949	36	19	-	-	PUNCT
eurjchem-1949	36	20	ylmethylene)hydrazinyl)quinoline-4	ylmethylene)hydrazinyl)quinoline-4	NOUN
eurjchem-1949	36	21	-	-	PUNCT
eurjchem-1949	36	22	carboxamide	carboxamide	NOUN
eurjchem-1949	36	23	7.1707	7.1707	NUM
eurjchem-1949	36	24	6.972982	6.972982	NUM
eurjchem-1949	36	25	0.197718	0.197718	NUM
eurjchem-1949	36	26	5	5	NUM
eurjchem-1949	36	27	a	a	DET
eurjchem-1949	36	28	n	n	PRON
eurjchem-1949	36	29	-	-	PUNCT
eurjchem-1949	36	30	benzyl-2-(2-(thiophen-2	benzyl-2-(2-(thiophen-2	NOUN
eurjchem-1949	36	31	-	-	PUNCT
eurjchem-1949	36	32	ylmethylene)hydrazinyl)quinoline-4	ylmethylene)hydrazinyl)quinoline-4	NOUN
eurjchem-1949	36	33	-	-	PUNCT
eurjchem-1949	36	34	carboxamide	carboxamide	NOUN
eurjchem-1949	36	35	7.4233	7.4233	NUM
eurjchem-1949	36	36	7.152527	7.152527	NUM
eurjchem-1949	36	37	0.270773	0.270773	NUM
eurjchem-1949	36	38	6	6	NUM
eurjchem-1949	36	39	2-(2-(anthracen-9	2-(2-(anthracen-9	NUM
eurjchem-1949	36	40	-	-	ADJ
eurjchem-1949	36	41	ylmethylene)hydrazinyl)-n	ylmethylene)hydrazinyl)-n	ADJ
eurjchem-1949	36	42	-	-	PUNCT
eurjchem-1949	36	43	benzylquinoline-4	benzylquinoline-4	NOUN
eurjchem-1949	36	44	-	-	PUNCT
eurjchem-1949	36	45	carboxamide	carboxamide	NOUN
eurjchem-1949	36	46	7.2838	7.2838	NUM
eurjchem-1949	36	47	6.985668	6.985668	NUM
eurjchem-1949	36	48	0.298132	0.298132	NUM
eurjchem-1949	36	49	7	7	NUM
eurjchem-1949	36	50	a	a	DET
eurjchem-1949	36	51	n	n	CCONJ
eurjchem-1949	36	52	-	-	PUNCT
eurjchem-1949	36	53	benzyl-2-(2-((4	benzyl-2-(2-((4	NOUN
eurjchem-1949	36	54	-	-	ADJ
eurjchem-1949	36	55	methoxynaphthalen-1	methoxynaphthalen-1	ADJ
eurjchem-1949	36	56	-	-	PUNCT
eurjchem-1949	36	57	yl)methylene)hydrazinyl)quinoline-4	yl)methylene)hydrazinyl)quinoline-4	NOUN
eurjchem-1949	36	58	-	-	PUNCT
eurjchem-1949	36	59	carboxamide	carboxamide	NOUN
eurjchem-1949	36	60	7.1472	7.1472	NUM
eurjchem-1949	36	61	7.478650	7.478650	NUM
eurjchem-1949	36	62	-0.531450	-0.531450	NOUN
eurjchem-1949	36	63	8	8	NUM
eurjchem-1949	36	64	a	a	DET
eurjchem-1949	36	65	n	n	CCONJ
eurjchem-1949	36	66	-	-	PUNCT
eurjchem-1949	36	67	benzyl-2-(2-(2	benzyl-2-(2-(2	NOUN
eurjchem-1949	36	68	-	-	PUNCT
eurjchem-1949	36	69	methylpropylidene)hydrazinyl)quinoline-4	methylpropylidene)hydrazinyl)quinoline-4	NOUN
eurjchem-1949	36	70	-	-	PUNCT
eurjchem-1949	36	71	carboxamide	carboxamide	NOUN
eurjchem-1949	36	72	7.6035	7.6035	NUM
eurjchem-1949	36	73	7.712630	7.712630	NUM
eurjchem-1949	36	74	-0.109130	-0.109130	ADV
eurjchem-1949	36	75	9	9	NUM
eurjchem-1949	36	76	a	a	DET
eurjchem-1949	36	77	n	n	CCONJ
eurjchem-1949	36	78	-	-	PUNCT
eurjchem-1949	36	79	benzyl-2-(2	benzyl-2-(2	NOUN
eurjchem-1949	36	80	-	-	PUNCT
eurjchem-1949	36	81	propylidenehydrazinyl)quinoline-4	propylidenehydrazinyl)quinoline-4	NOUN
eurjchem-1949	36	82	-	-	PUNCT
eurjchem-1949	36	83	carboxamide	carboxamide	NOUN
eurjchem-1949	36	84	7.2938	7.2938	NUM
eurjchem-1949	36	85	6.495725	6.495725	NUM
eurjchem-1949	36	86	0.898075	0.898075	NUM
eurjchem-1949	36	87	10	10	NUM
eurjchem-1949	36	88	n	n	CCONJ
eurjchem-1949	36	89	-	-	PUNCT
eurjchem-1949	36	90	benzyl-2-(2-(4	benzyl-2-(2-(4	ADP
eurjchem-1949	36	91	-	-	PUNCT
eurjchem-1949	36	92	methoxybenzylidene)hydrazinyl)quinoline-4	methoxybenzylidene)hydrazinyl)quinoline-4	NOUN
eurjchem-1949	36	93	-	-	PUNCT
eurjchem-1949	36	94	carboxamide	carboxamide	NOUN
eurjchem-1949	36	95	7.2630	7.2630	NUM
eurjchem-1949	36	96	7.786450	7.786450	NUM
eurjchem-1949	36	97	-0.623450	-0.623450	NOUN
eurjchem-1949	36	98	11	11	NUM
eurjchem-1949	36	99	n-(5	n-(5	PROPN
eurjchem-1949	36	100	-	-	PUNCT
eurjchem-1949	36	101	phenylpentyl)-2-(2-(pyridin-4	phenylpentyl)-2-(2-(pyridin-4	NOUN
eurjchem-1949	36	102	-	-	PUNCT
eurjchem-1949	36	103	ylmethylene)hydrazinyl)quinoline-4	ylmethylene)hydrazinyl)quinoline-4	NOUN
eurjchem-1949	36	104	-	-	PUNCT
eurjchem-1949	36	105	carboxamide	carboxamide	NOUN
eurjchem-1949	36	106	7.4772	7.4772	NUM
eurjchem-1949	36	107	7.411826	7.411826	NUM
eurjchem-1949	36	108	0.065374	0.065374	NUM
eurjchem-1949	36	109	12	12	NUM
eurjchem-1949	36	110	2-(2-(furan-2	2-(2-(furan-2	NUM
eurjchem-1949	36	111	-	-	PUNCT
eurjchem-1949	36	112	ylmethylene)hydrazinyl)-n-(5	ylmethylene)hydrazinyl)-n-(5	NOUN
eurjchem-1949	36	113	-	-	PUNCT
eurjchem-1949	36	114	phenylpentyl)quinoline-4	phenylpentyl)quinoline-4	NOUN
eurjchem-1949	36	115	-	-	PUNCT
eurjchem-1949	36	116	carboxamide	carboxamide	NOUN
eurjchem-1949	36	117	7.0807	7.0807	NUM
eurjchem-1949	36	118	7.172820	7.172820	NUM
eurjchem-1949	36	119	-0.092120	-0.092120	X
eurjchem-1949	36	120	13	13	NUM
eurjchem-1949	36	121	n	n	CCONJ
eurjchem-1949	36	122	-	-	PUNCT
eurjchem-1949	36	123	benzyl-2-(2	benzyl-2-(2	NOUN
eurjchem-1949	36	124	-	-	PUNCT
eurjchem-1949	36	125	benzylidenehydrazinyl)quinoline-4	benzylidenehydrazinyl)quinoline-4	NOUN
eurjchem-1949	36	126	-	-	PUNCT
eurjchem-1949	36	127	carboxamide	carboxamide	NOUN
eurjchem-1949	36	128	9.6090	9.6090	NUM
eurjchem-1949	36	129	9.627790	9.627790	NUM
eurjchem-1949	36	130	-0.018790	-0.018790	NOUN
eurjchem-1949	36	131	14	14	NUM
eurjchem-1949	36	132	n-(5	n-(5	NOUN
eurjchem-1949	36	133	-	-	PUNCT
eurjchem-1949	36	134	phenylpentyl)-2-(2-(thiophen-2	phenylpentyl)-2-(2-(thiophen-2	NOUN
eurjchem-1949	36	135	-	-	PUNCT
eurjchem-1949	36	136	ylmethylene)hydrazinyl)quinoline-4	ylmethylene)hydrazinyl)quinoline-4	NOUN
eurjchem-1949	36	137	-	-	PUNCT
eurjchem-1949	36	138	carboxamide	carboxamide	NOUN
eurjchem-1949	36	139	7.2747	7.2747	NUM
eurjchem-1949	36	140	7.224153	7.224153	NUM
eurjchem-1949	36	141	0.050547	0.050547	NUM
eurjchem-1949	36	142	15	15	NUM
eurjchem-1949	36	143	a	a	DET
eurjchem-1949	36	144	2-(2-(anthracen-9	2-(2-(anthracen-9	NUM
eurjchem-1949	36	145	-	-	PUNCT
eurjchem-1949	36	146	ylmethylene)hydrazinyl)-n-(5	ylmethylene)hydrazinyl)-n-(5	NOUN
eurjchem-1949	36	147	-	-	PUNCT
eurjchem-1949	36	148	phenylpentyl)quinoline-4	phenylpentyl)quinoline-4	NOUN
eurjchem-1949	36	149	-	-	PUNCT
eurjchem-1949	36	150	carboxamide	carboxamide	NOUN
eurjchem-1949	36	151	7.4091	7.4091	NUM
eurjchem-1949	36	152	7.674090	7.674090	NUM
eurjchem-1949	36	153	-0.264990	-0.264990	NOUN
eurjchem-1949	36	154	16	16	NUM
eurjchem-1949	36	155	2-(2-((4	2-(2-((4	NUM
eurjchem-1949	36	156	-	-	PUNCT
eurjchem-1949	36	157	methoxynaphthalen-1	methoxynaphthalen-1	NOUN
eurjchem-1949	36	158	-	-	PUNCT
eurjchem-1949	36	159	yl)methylene)hydrazinyl)-n-(5	yl)methylene)hydrazinyl)-n-(5	NOUN
eurjchem-1949	36	160	-	-	PUNCT
eurjchem-1949	36	161	phenylpentyl)quinoline-4	phenylpentyl)quinoline-4	NOUN
eurjchem-1949	36	162	-	-	PUNCT
eurjchem-1949	36	163	carboxamide	carboxamide	NOUN
eurjchem-1949	36	164	7.7412	7.7412	NUM
eurjchem-1949	36	165	7.318700	7.318700	NUM
eurjchem-1949	36	166	0.422500	0.422500	NUM
eurjchem-1949	36	167	17	17	NUM
eurjchem-1949	36	168	2-(2-(2	2-(2-(2	NUM
eurjchem-1949	36	169	-	-	PUNCT
eurjchem-1949	36	170	methylpropylidene)hydrazinyl)-n-(5	methylpropylidene)hydrazinyl)-n-(5	NOUN
eurjchem-1949	36	171	-	-	PUNCT
eurjchem-1949	36	172	phenylpentyl)quinoline-4	phenylpentyl)quinoline-4	NOUN
eurjchem-1949	36	173	-	-	PUNCT
eurjchem-1949	36	174	carboxamide	carboxamide	NOUN
eurjchem-1949	36	175	7.6688	7.6688	NUM
eurjchem-1949	36	176	7.273758	7.273758	NUM
eurjchem-1949	36	177	0.395042	0.395042	NUM
eurjchem-1949	36	178	18	18	NUM
eurjchem-1949	36	179	2-(2	2-(2	NOUN
eurjchem-1949	36	180	-	-	PUNCT
eurjchem-1949	36	181	benzylidenehydrazinyl)-n-(5	benzylidenehydrazinyl)-n-(5	NOUN
eurjchem-1949	36	182	-	-	PUNCT
eurjchem-1949	36	183	phenylpentyl)quinoline-4	phenylpentyl)quinoline-4	NOUN
eurjchem-1949	36	184	-	-	PUNCT
eurjchem-1949	36	185	carboxamide	carboxamide	NOUN
eurjchem-1949	36	186	6.2688	6.2688	NUM
eurjchem-1949	36	187	6.325600	6.325600	NUM
eurjchem-1949	36	188	-0.056800	-0.056800	NOUN
eurjchem-1949	36	189	19	19	NUM
eurjchem-1949	36	190	2-(2-(4	2-(2-(4	NUM
eurjchem-1949	36	191	-	-	PUNCT
eurjchem-1949	36	192	methoxybenzylidene)hydrazinyl)-n-(5	methoxybenzylidene)hydrazinyl)-n-(5	NUM
eurjchem-1949	36	193	-	-	PUNCT
eurjchem-1949	36	194	phenylpentyl)quinoline-4	phenylpentyl)quinoline-4	NOUN
eurjchem-1949	36	195	-	-	PUNCT
eurjchem-1949	36	196	carboxamide	carboxamide	NOUN
eurjchem-1949	36	197	7.6970	7.6970	NUM
eurjchem-1949	36	198	7.737650	7.737650	NUM
eurjchem-1949	36	199	-0.040650	-0.040650	NOUN
eurjchem-1949	36	200	20	20	NUM
eurjchem-1949	36	201	(	(	PUNCT
eurjchem-1949	36	202	2-(2-(4	2-(2-(4	NUM
eurjchem-1949	36	203	-	-	PUNCT
eurjchem-1949	36	204	methoxybenzylidene)hydrazinyl)quinolin-4	methoxybenzylidene)hydrazinyl)quinolin-4	NOUN
eurjchem-1949	36	205	-	-	NOUN
eurjchem-1949	36	206	yl)(morpholino)methanone	yl)(morpholino)methanone	NOUN
eurjchem-1949	36	207	6.8414	6.8414	NUM
eurjchem-1949	36	208	6.809542	6.809542	NUM
eurjchem-1949	36	209	0.031858	0.031858	NUM
eurjchem-1949	36	210	21	21	NUM
eurjchem-1949	36	211	(	(	PUNCT
eurjchem-1949	36	212	4	4	NUM
eurjchem-1949	36	213	-	-	PUNCT
eurjchem-1949	36	214	methylpiperazin-1	methylpiperazin-1	ADV
eurjchem-1949	36	215	-	-	PUNCT
eurjchem-1949	36	216	yl)(2-(2-(pyridin-4	yl)(2-(2-(pyridin-4	NOUN
eurjchem-1949	36	217	-	-	PUNCT
eurjchem-1949	36	218	ylmethylene)hydrazinyl)quinolin-4	ylmethylene)hydrazinyl)quinolin-4	NOUN
eurjchem-1949	36	219	-	-	PUNCT
eurjchem-1949	36	220	yl)methanone	yl)methanone	NOUN
eurjchem-1949	36	221	7.3673	7.3673	NUM
eurjchem-1949	36	222	7.357741	7.357741	NUM
eurjchem-1949	36	223	0.009559	0.009559	NUM
eurjchem-1949	36	224	22	22	NUM
eurjchem-1949	36	225	(	(	PUNCT
eurjchem-1949	36	226	2-(2-(furan-2	2-(2-(furan-2	NUM
eurjchem-1949	36	227	-	-	PUNCT
eurjchem-1949	36	228	ylmethylene)hydrazinyl)quinolin-4	ylmethylene)hydrazinyl)quinolin-4	NUM
eurjchem-1949	36	229	-	-	PUNCT
eurjchem-1949	36	230	yl)(4	yl)(4	NOUN
eurjchem-1949	36	231	-	-	PUNCT
eurjchem-1949	36	232	methylpiperazin-1	methylpiperazin-1	NOUN
eurjchem-1949	36	233	-	-	PUNCT
eurjchem-1949	36	234	yl)methanone	yl)methanone	NOUN
eurjchem-1949	36	235	7.1891	7.1891	NUM
eurjchem-1949	36	236	7.392020	7.392020	NUM
eurjchem-1949	36	237	-0.202920	-0.202920	NOUN
eurjchem-1949	36	238	23	23	NUM
eurjchem-1949	36	239	a	a	DET
eurjchem-1949	36	240	(	(	PUNCT
eurjchem-1949	36	241	2-(2-((4	2-(2-((4	PROPN
eurjchem-1949	36	242	-	-	PUNCT
eurjchem-1949	36	243	methoxynaphthalen-1	methoxynaphthalen-1	NOUN
eurjchem-1949	36	244	-	-	PUNCT
eurjchem-1949	36	245	yl)methylene)hydrazinyl)quinolin-4	yl)methylene)hydrazinyl)quinolin-4	NOUN
eurjchem-1949	36	246	-	-	PUNCT
eurjchem-1949	36	247	yl)(4	yl)(4	NOUN
eurjchem-1949	36	248	-	-	PUNCT
eurjchem-1949	36	249	methylpiperazin-1	methylpiperazin-1	NOUN
eurjchem-1949	36	250	-	-	PUNCT
eurjchem-1949	36	251	yl)methanone	yl)methanone	NOUN
eurjchem-1949	36	252	7.2022	7.2022	NUM
eurjchem-1949	36	253	7.500520	7.500520	NUM
eurjchem-1949	36	254	-0.298320	-0.298320	NOUN
eurjchem-1949	36	255	24	24	NUM
eurjchem-1949	36	256	(	(	PUNCT
eurjchem-1949	36	257	4	4	NUM
eurjchem-1949	36	258	-	-	PUNCT
eurjchem-1949	36	259	methylpiperazin-1	methylpiperazin-1	ADV
eurjchem-1949	36	260	-	-	PUNCT
eurjchem-1949	36	261	yl)(2-(2-(2	yl)(2-(2-(2	NOUN
eurjchem-1949	36	262	-	-	PUNCT
eurjchem-1949	36	263	methylpropylidene)hydrazinyl)quinolin-4	methylpropylidene)hydrazinyl)quinolin-4	NOUN
eurjchem-1949	36	264	-	-	PUNCT
eurjchem-1949	36	265	yl)methanone	yl)methanone	NOUN
eurjchem-1949	36	266	7.7696	7.7696	NUM
eurjchem-1949	36	267	7.486908	7.486908	NUM
eurjchem-1949	36	268	0.282692	0.282692	NUM
eurjchem-1949	36	269	25	25	NUM
eurjchem-1949	36	270	(	(	PUNCT
eurjchem-1949	36	271	2-(2	2-(2	NOUN
eurjchem-1949	36	272	-	-	PUNCT
eurjchem-1949	36	273	benzylidenehydrazinyl)quinolin-4	benzylidenehydrazinyl)quinolin-4	NUM
eurjchem-1949	36	274	-	-	PUNCT
eurjchem-1949	36	275	yl)(4	yl)(4	NOUN
eurjchem-1949	36	276	-	-	PUNCT
eurjchem-1949	36	277	methylpiperazin-1	methylpiperazin-1	NOUN
eurjchem-1949	36	278	-	-	PUNCT
eurjchem-1949	36	279	yl)methanone	yl)methanone	NOUN
eurjchem-1949	36	280	6.7716	6.7716	NUM
eurjchem-1949	36	281	6.752730	6.752730	NUM
eurjchem-1949	36	282	-0.481130	-0.481130	NOUN
eurjchem-1949	36	283	26	26	NUM
eurjchem-1949	36	284	(	(	PUNCT
eurjchem-1949	36	285	2-(2-(4	2-(2-(4	NUM
eurjchem-1949	36	286	-	-	PUNCT
eurjchem-1949	36	287	methoxybenzylidene)hydrazinyl)quinolin-4	methoxybenzylidene)hydrazinyl)quinolin-4	ADJ
eurjchem-1949	36	288	-	-	PUNCT
eurjchem-1949	36	289	yl)(4	yl)(4	NOUN
eurjchem-1949	36	290	-	-	PUNCT
eurjchem-1949	36	291	methylpiperazin-1	methylpiperazin-1	NOUN
eurjchem-1949	36	292	-	-	PUNCT
eurjchem-1949	36	293	yl)methanone	yl)methanone	NOUN
eurjchem-1949	36	294	7.4420	7.4420	NUM
eurjchem-1949	36	295	7.492240	7.492240	NUM
eurjchem-1949	36	296	-0.050240	-0.050240	NOUN
eurjchem-1949	36	297	27	27	NUM
eurjchem-1949	36	298	n	n	CCONJ
eurjchem-1949	36	299	-	-	PUNCT
eurjchem-1949	36	300	phenyl-2-(2-(thiophen-2	phenyl-2-(2-(thiophen-2	NOUN
eurjchem-1949	36	301	-	-	PUNCT
eurjchem-1949	36	302	ylmethylene)hydrazinyl)quinoline-4	ylmethylene)hydrazinyl)quinoline-4	NOUN
eurjchem-1949	36	303	-	-	PUNCT
eurjchem-1949	36	304	carboxamide	carboxamide	NOUN
eurjchem-1949	36	305	7.3209	7.3209	NUM
eurjchem-1949	36	306	7.025132	7.025132	NUM
eurjchem-1949	36	307	0.295768	0.295768	NUM
eurjchem-1949	36	308	*	*	PUNCT
eurjchem-1949	36	309	superscript	superscript	PROPN
eurjchem-1949	36	310	a	a	PRON
eurjchem-1949	36	311	represent	represent	VERB
eurjchem-1949	36	312	the	the	DET
eurjchem-1949	36	313	test	test	NOUN
eurjchem-1949	36	314	set	set	VERB
eurjchem-1949	36	315	.	.	PUNCT
eurjchem-1949	37	1	predictability	predictability	NOUN
eurjchem-1949	37	2	and	and	CCONJ
eurjchem-1949	37	3	molecular	molecular	ADJ
eurjchem-1949	37	4	docking	docking	NOUN
eurjchem-1949	37	5	study	study	NOUN
eurjchem-1949	37	6	against	against	ADP
eurjchem-1949	37	7	mtuberculosis	mtuberculosis	NOUN
eurjchem-1949	37	8	.	.	PUNCT
eurjchem-1949	38	1	2	2	X
eurjchem-1949	38	2	.	.	X
eurjchem-1949	38	3	experimental	experimental	ADJ
eurjchem-1949	38	4	2.1	2.1	NUM
eurjchem-1949	38	5	.	.	PUNCT
eurjchem-1949	39	1	data	datum	NOUN
eurjchem-1949	39	2	set	set	VERB
eurjchem-1949	39	3	the	the	DET
eurjchem-1949	39	4	molecules	molecule	NOUN
eurjchem-1949	39	5	comprising	comprise	VERB
eurjchem-1949	39	6	the	the	DET
eurjchem-1949	39	7	derivatives	derivative	NOUN
eurjchem-1949	39	8	of	of	ADP
eurjchem-1949	39	9	2,4	2,4	NUM
eurjchem-1949	39	10	-	-	PUNCT
eurjchem-1949	39	11	disubstituted	disubstitute	VERB
eurjchem-1949	39	12	quinoline	quinoline	NOUN
eurjchem-1949	39	13	reported	report	VERB
eurjchem-1949	39	14	as	as	ADP
eurjchem-1949	39	15	anti	anti	ADJ
eurjchem-1949	39	16	-	-	ADJ
eurjchem-1949	39	17	mycobacterium	mycobacterium	ADJ
eurjchem-1949	39	18	tuberculosis	tuberculosis	NOUN
eurjchem-1949	39	19	that	that	PRON
eurjchem-1949	39	20	were	be	AUX
eurjchem-1949	39	21	used	use	VERB
eurjchem-1949	39	22	in	in	ADP
eurjchem-1949	39	23	this	this	DET
eurjchem-1949	39	24	study	study	NOUN
eurjchem-1949	39	25	were	be	AUX
eurjchem-1949	39	26	obtained	obtain	VERB
eurjchem-1949	39	27	from	from	ADP
eurjchem-1949	39	28	the	the	DET
eurjchem-1949	39	29	literature	literature	NOUN
eurjchem-1949	39	30	[	[	X
eurjchem-1949	39	31	8	8	NUM
eurjchem-1949	39	32	]	]	PUNCT
eurjchem-1949	39	33	.	.	PUNCT
eurjchem-1949	40	1	the	the	DET
eurjchem-1949	40	2	biological	biological	ADJ
eurjchem-1949	40	3	activities	activity	NOUN
eurjchem-1949	40	4	of	of	ADP
eurjchem-1949	40	5	these	these	DET
eurjchem-1949	40	6	compounds	compound	NOUN
eurjchem-1949	40	7	and	and	CCONJ
eurjchem-1949	40	8	the	the	DET
eurjchem-1949	40	9	list	list	NOUN
eurjchem-1949	40	10	of	of	ADP
eurjchem-1949	40	11	the	the	DET
eurjchem-1949	40	12	compounds	compound	NOUN
eurjchem-1949	40	13	were	be	AUX
eurjchem-1949	40	14	presented	present	VERB
eurjchem-1949	40	15	in	in	ADP
eurjchem-1949	40	16	table	table	NOUN
eurjchem-1949	40	17	1	1	NUM
eurjchem-1949	40	18	.	.	PUNCT
eurjchem-1949	41	1	the	the	DET
eurjchem-1949	41	2	observed	observe	VERB
eurjchem-1949	41	3	structures	structure	NOUN
eurjchem-1949	41	4	and	and	CCONJ
eurjchem-1949	41	5	the	the	DET
eurjchem-1949	41	6	biological	biological	ADJ
eurjchem-1949	41	7	activities	activity	NOUN
eurjchem-1949	41	8	of	of	ADP
eurjchem-1949	41	9	these	these	DET
eurjchem-1949	41	10	compounds	compound	NOUN
eurjchem-1949	41	11	were	be	AUX
eurjchem-1949	41	12	presented	present	VERB
eurjchem-1949	41	13	in	in	ADP
eurjchem-1949	41	14	table	table	NOUN
eurjchem-1949	41	15	1	1	NUM
eurjchem-1949	41	16	.	.	X
eurjchem-1949	41	17	2.2	2.2	NUM
eurjchem-1949	41	18	.	.	PUNCT
eurjchem-1949	42	1	geometrical	geometrical	ADJ
eurjchem-1949	42	2	optimization	optimization	NOUN
eurjchem-1949	42	3	spartan	spartan	ADJ
eurjchem-1949	42	4	14	14	NUM
eurjchem-1949	42	5	software	software	NOUN
eurjchem-1949	42	6	version	version	NOUN
eurjchem-1949	42	7	1.1.4	1.1.4	NUM
eurjchem-1949	42	8	was	be	AUX
eurjchem-1949	42	9	used	use	VERB
eurjchem-1949	42	10	to	to	PART
eurjchem-1949	42	11	optimize	optimize	VERB
eurjchem-1949	42	12	all	all	DET
eurjchem-1949	42	13	the	the	DET
eurjchem-1949	42	14	inhibitory	inhibitory	ADJ
eurjchem-1949	42	15	compounds	compound	NOUN
eurjchem-1949	42	16	in	in	ADP
eurjchem-1949	42	17	order	order	NOUN
eurjchem-1949	42	18	for	for	SCONJ
eurjchem-1949	42	19	the	the	DET
eurjchem-1949	42	20	compounds	compound	NOUN
eurjchem-1949	42	21	to	to	PART
eurjchem-1949	42	22	attain	attain	VERB
eurjchem-1949	42	23	stable	stable	ADJ
eurjchem-1949	42	24	conformation	conformation	NOUN
eurjchem-1949	42	25	at	at	ADP
eurjchem-1949	42	26	a	a	DET
eurjchem-1949	42	27	minimal	minimal	ADJ
eurjchem-1949	42	28	energy	energy	NOUN
eurjchem-1949	42	29	.	.	PUNCT
eurjchem-1949	43	1	the	the	DET
eurjchem-1949	43	2	strain	strain	NOUN
eurjchem-1949	43	3	energy	energy	NOUN
eurjchem-1949	43	4	from	from	ADP
eurjchem-1949	43	5	the	the	DET
eurjchem-1949	43	6	molecules	molecule	NOUN
eurjchem-1949	43	7	were	be	AUX
eurjchem-1949	43	8	removed	remove	VERB
eurjchem-1949	43	9	by	by	ADP
eurjchem-1949	43	10	employing	employ	VERB
eurjchem-1949	43	11	molecular	molecular	ADJ
eurjchem-1949	43	12	mechanics	mechanic	NOUN
eurjchem-1949	43	13	force	force	NOUN
eurjchem-1949	43	14	field	field	NOUN
eurjchem-1949	43	15	(	(	PUNCT
eurjchem-1949	43	16	mmff	mmff	PROPN
eurjchem-1949	43	17	)	)	PUNCT
eurjchem-1949	43	18	and	and	CCONJ
eurjchem-1949	43	19	complete	complete	ADJ
eurjchem-1949	43	20	optimization	optimization	NOUN
eurjchem-1949	43	21	was	be	AUX
eurjchem-1949	43	22	achieved	achieve	VERB
eurjchem-1949	43	23	with	with	ADP
eurjchem-1949	43	24	the	the	DET
eurjchem-1949	43	25	aid	aid	NOUN
eurjchem-1949	43	26	of	of	ADP
eurjchem-1949	43	27	density	density	NOUN
eurjchem-1949	43	28	functional	functional	ADJ
eurjchem-1949	43	29	theory	theory	NOUN
eurjchem-1949	43	30	(	(	PUNCT
eurjchem-1949	43	31	dft	dft	PROPN
eurjchem-1949	43	32	)	)	PUNCT
eurjchem-1949	43	33	by	by	ADP
eurjchem-1949	43	34	utilizing	utilize	VERB
eurjchem-1949	43	35	the	the	DET
eurjchem-1949	43	36	b3lyp	b3lyp	NUM
eurjchem-1949	43	37	basic	basic	ADJ
eurjchem-1949	43	38	set	set	NOUN
eurjchem-1949	44	1	[	[	X
eurjchem-1949	44	2	3,7	3,7	NUM
eurjchem-1949	44	3	]	]	PUNCT
eurjchem-1949	44	4	.	.	PUNCT
eurjchem-1949	45	1	2.3	2.3	NUM
eurjchem-1949	45	2	.	.	PUNCT
eurjchem-1949	45	3	calculation	calculation	NOUN
eurjchem-1949	45	4	of	of	ADP
eurjchem-1949	45	5	descriptor	descriptor	NOUN
eurjchem-1949	45	6	a	a	DET
eurjchem-1949	45	7	descriptor	descriptor	NOUN
eurjchem-1949	45	8	is	be	AUX
eurjchem-1949	45	9	a	a	DET
eurjchem-1949	45	10	mathematical	mathematical	ADJ
eurjchem-1949	45	11	logic	logic	NOUN
eurjchem-1949	45	12	that	that	PRON
eurjchem-1949	45	13	defines	define	VERB
eurjchem-1949	45	14	the	the	DET
eurjchem-1949	45	15	properties	property	NOUN
eurjchem-1949	45	16	of	of	ADP
eurjchem-1949	45	17	a	a	DET
eurjchem-1949	45	18	molecule	molecule	NOUN
eurjchem-1949	45	19	in	in	ADP
eurjchem-1949	45	20	a	a	DET
eurjchem-1949	45	21	numeral	numeral	ADJ
eurjchem-1949	45	22	term	term	NOUN
eurjchem-1949	45	23	based	base	VERB
eurjchem-1949	45	24	on	on	ADP
eurjchem-1949	45	25	the	the	DET
eurjchem-1949	45	26	connection	connection	NOUN
eurjchem-1949	45	27	between	between	ADP
eurjchem-1949	45	28	the	the	DET
eurjchem-1949	45	29	biological	biological	ADJ
eurjchem-1949	45	30	activity	activity	NOUN
eurjchem-1949	45	31	of	of	ADP
eurjchem-1949	45	32	each	each	DET
eurjchem-1949	45	33	molecule	molecule	NOUN
eurjchem-1949	45	34	and	and	CCONJ
eurjchem-1949	45	35	its	its	PRON
eurjchem-1949	45	36	molecular	molecular	ADJ
eurjchem-1949	45	37	structure	structure	NOUN
eurjchem-1949	45	38	.	.	PUNCT
eurjchem-1949	46	1	descriptors	descriptor	NOUN
eurjchem-1949	46	2	for	for	ADP
eurjchem-1949	46	3	all	all	DET
eurjchem-1949	46	4	the	the	DET
eurjchem-1949	46	5	inhibitory	inhibitory	ADJ
eurjchem-1949	46	6	molecules	molecule	NOUN
eurjchem-1949	46	7	were	be	AUX
eurjchem-1949	46	8	calculated	calculate	VERB
eurjchem-1949	46	9	with	with	ADP
eurjchem-1949	46	10	the	the	DET
eurjchem-1949	46	11	aid	aid	NOUN
eurjchem-1949	46	12	of	of	ADP
eurjchem-1949	46	13	padel	padel	NOUN
eurjchem-1949	46	14	descriptor	descriptor	NOUN
eurjchem-1949	46	15	software	software	NOUN
eurjchem-1949	46	16	version	version	NOUN
eurjchem-1949	46	17	2.20	2.20	NUM
eurjchem-1949	47	1	[	[	X
eurjchem-1949	47	2	9	9	NUM
eurjchem-1949	47	3	]	]	PUNCT
eurjchem-1949	47	4	and	and	CCONJ
eurjchem-1949	47	5	a	a	DET
eurjchem-1949	47	6	total	total	NOUN
eurjchem-1949	47	7	of	of	ADP
eurjchem-1949	47	8	1879	1879	NUM
eurjchem-1949	47	9	molecular	molecular	ADJ
eurjchem-1949	47	10	descriptors	descriptor	NOUN
eurjchem-1949	47	11	were	be	AUX
eurjchem-1949	47	12	generated	generate	VERB
eurjchem-1949	47	13	.	.	PUNCT
eurjchem-1949	48	1	2.4	2.4	NUM
eurjchem-1949	48	2	.	.	PUNCT
eurjchem-1949	48	3	normalization	normalization	NOUN
eurjchem-1949	48	4	and	and	CCONJ
eurjchem-1949	48	5	pretreatment	pretreatment	NOUN
eurjchem-1949	48	6	of	of	ADP
eurjchem-1949	48	7	data	datum	NOUN
eurjchem-1949	48	8	for	for	ADP
eurjchem-1949	48	9	each	each	PRON
eurjchem-1949	48	10	of	of	ADP
eurjchem-1949	48	11	the	the	DET
eurjchem-1949	48	12	variable	variable	ADJ
eurjchem-1949	48	13	(	(	PUNCT
eurjchem-1949	48	14	descriptor	descriptor	NOUN
eurjchem-1949	48	15	)	)	PUNCT
eurjchem-1949	48	16	to	to	PART
eurjchem-1949	48	17	have	have	VERB
eurjchem-1949	48	18	the	the	DET
eurjchem-1949	48	19	same	same	ADJ
eurjchem-1949	48	20	chance	chance	NOUN
eurjchem-1949	48	21	at	at	ADP
eurjchem-1949	48	22	the	the	DET
eurjchem-1949	48	23	inception	inception	NOUN
eurjchem-1949	48	24	so	so	SCONJ
eurjchem-1949	48	25	as	as	SCONJ
eurjchem-1949	48	26	to	to	PART
eurjchem-1949	48	27	influence	influence	VERB
eurjchem-1949	48	28	the	the	DET
eurjchem-1949	48	29	qsar	qsar	NOUN
eurjchem-1949	48	30	model	model	NOUN
eurjchem-1949	48	31	,	,	PUNCT
eurjchem-1949	48	32	the	the	DET
eurjchem-1949	48	33	descriptors	descriptor	NOUN
eurjchem-1949	48	34	values	value	NOUN
eurjchem-1949	48	35	generated	generate	VERB
eurjchem-1949	48	36	from	from	ADP
eurjchem-1949	48	37	padel	padel	NOUN
eurjchem-1949	48	38	descriptor	descriptor	NOUN
eurjchem-1949	48	39	software	software	NOUN
eurjchem-1949	48	40	version	version	NOUN
eurjchem-1949	48	41	2.20	2.20	NUM
eurjchem-1949	49	1	[	[	X
eurjchem-1949	49	2	9	9	NUM
eurjchem-1949	49	3	]	]	PUNCT
eurjchem-1949	49	4	were	be	AUX
eurjchem-1949	49	5	subjected	subject	VERB
eurjchem-1949	49	6	to	to	ADP
eurjchem-1949	49	7	normalization	normalization	NOUN
eurjchem-1949	49	8	using	use	VERB
eurjchem-1949	49	9	equation	equation	NOUN
eurjchem-1949	49	10	(	(	PUNCT
eurjchem-1949	49	11	1	1	X
eurjchem-1949	49	12	)	)	PUNCT
eurjchem-1949	50	1	[	[	X
eurjchem-1949	50	2	8	8	NUM
eurjchem-1949	50	3	]	]	SYM
eurjchem-1949	50	4	.	.	PUNCT
eurjchem-1949	51	1	1	1	NUM
eurjchem-1949	51	2	d	d	NOUN
eurjchem-1949	51	3	min	min	PROPN
eurjchem-1949	51	4	max	max	PROPN
eurjchem-1949	51	5	min	min	PROPN
eurjchem-1949	52	1	d	d	PROPN
eurjchem-1949	52	2	d	d	PROPN
eurjchem-1949	52	3	d	d	PROPN
eurjchem-1949	52	4	d	d	NOUN
eurjchem-1949	52	5	−	−	NOUN
eurjchem-1949	52	6	−	−	PROPN
eurjchem-1949	52	7	=	=	SYM
eurjchem-1949	52	8	(	(	PUNCT
eurjchem-1949	52	9	1	1	X
eurjchem-1949	52	10	)	)	PUNCT
eurjchem-1949	52	11	where	where	SCONJ
eurjchem-1949	52	12	dmax	dmax	ADJ
eurjchem-1949	52	13	and	and	CCONJ
eurjchem-1949	52	14	dmin	dmin	PROPN
eurjchem-1949	52	15	are	be	AUX
eurjchem-1949	52	16	the	the	DET
eurjchem-1949	52	17	maximum	maximum	ADJ
eurjchem-1949	52	18	and	and	CCONJ
eurjchem-1949	52	19	minimum	minimum	ADJ
eurjchem-1949	52	20	value	value	NOUN
eurjchem-1949	52	21	for	for	ADP
eurjchem-1949	52	22	each	each	DET
eurjchem-1949	52	23	descriptors	descriptor	NOUN
eurjchem-1949	52	24	column	column	NOUN
eurjchem-1949	52	25	of	of	ADP
eurjchem-1949	52	26	d.	d.	PROPN
eurjchem-1949	52	27	d1	d1	PROPN
eurjchem-1949	52	28	is	be	AUX
eurjchem-1949	52	29	the	the	DET
eurjchem-1949	52	30	descriptor	descriptor	NOUN
eurjchem-1949	52	31	value	value	NOUN
eurjchem-1949	52	32	for	for	ADP
eurjchem-1949	52	33	each	each	PRON
eurjchem-1949	52	34	of	of	ADP
eurjchem-1949	52	35	the	the	DET
eurjchem-1949	52	36	molecule	molecule	NOUN
eurjchem-1949	52	37	.	.	PUNCT
eurjchem-1949	53	1	immediately	immediately	ADV
eurjchem-1949	53	2	after	after	SCONJ
eurjchem-1949	53	3	the	the	DET
eurjchem-1949	53	4	data	datum	NOUN
eurjchem-1949	53	5	have	have	AUX
eurjchem-1949	53	6	been	be	AUX
eurjchem-1949	53	7	normalized	normalize	VERB
eurjchem-1949	53	8	,	,	PUNCT
eurjchem-1949	53	9	the	the	DET
eurjchem-1949	53	10	normalized	normalize	VERB
eurjchem-1949	53	11	data	datum	NOUN
eurjchem-1949	53	12	were	be	AUX
eurjchem-1949	53	13	then	then	ADV
eurjchem-1949	53	14	subjected	subject	VERB
eurjchem-1949	53	15	to	to	ADP
eurjchem-1949	53	16	pretreatment	pretreatment	NOUN
eurjchem-1949	53	17	so	so	SCONJ
eurjchem-1949	53	18	as	as	SCONJ
eurjchem-1949	53	19	to	to	PART
eurjchem-1949	53	20	remove	remove	VERB
eurjchem-1949	53	21	redundant	redundant	ADJ
eurjchem-1949	53	22	descriptors	descriptor	NOUN
eurjchem-1949	53	23	.	.	PUNCT
eurjchem-1949	54	1	2.5	2.5	NUM
eurjchem-1949	54	2	.	.	PUNCT
eurjchem-1949	55	1	splitting	splitting	NOUN
eurjchem-1949	55	2	of	of	ADP
eurjchem-1949	55	3	data	datum	NOUN
eurjchem-1949	55	4	set	set	VERB
eurjchem-1949	55	5	the	the	DET
eurjchem-1949	55	6	whole	whole	ADJ
eurjchem-1949	55	7	compounds	compound	NOUN
eurjchem-1949	55	8	that	that	PRON
eurjchem-1949	55	9	made	make	VERB
eurjchem-1949	55	10	up	up	ADP
eurjchem-1949	55	11	the	the	DET
eurjchem-1949	55	12	data	datum	NOUN
eurjchem-1949	55	13	set	set	VERB
eurjchem-1949	55	14	was	be	AUX
eurjchem-1949	55	15	divided	divide	VERB
eurjchem-1949	55	16	into	into	ADP
eurjchem-1949	55	17	training	training	NOUN
eurjchem-1949	55	18	and	and	CCONJ
eurjchem-1949	55	19	test	test	NOUN
eurjchem-1949	55	20	set	set	VERB
eurjchem-1949	55	21	in	in	ADP
eurjchem-1949	55	22	proportion	proportion	NOUN
eurjchem-1949	55	23	of	of	ADP
eurjchem-1949	55	24	70	70	NUM
eurjchem-1949	55	25	to	to	PART
eurjchem-1949	55	26	30	30	NUM
eurjchem-1949	55	27	%	%	NOUN
eurjchem-1949	55	28	using	use	VERB
eurjchem-1949	55	29	kennard	kennard	NOUN
eurjchem-1949	55	30	and	and	CCONJ
eurjchem-1949	55	31	stone	stone	NOUN
eurjchem-1949	55	32	’s	’s	PART
eurjchem-1949	55	33	algorithm	algorithm	NOUN
eurjchem-1949	55	34	which	which	PRON
eurjchem-1949	55	35	was	be	AUX
eurjchem-1949	55	36	incorporated	incorporate	VERB
eurjchem-1949	55	37	in	in	ADP
eurjchem-1949	55	38	dtc	dtc	NOUN
eurjchem-1949	55	39	lab	lab	NOUN
eurjchem-1949	55	40	software	software	NOUN
eurjchem-1949	56	1	[	[	X
eurjchem-1949	56	2	http://teqip.jdvu.ac.in/qsar_tools/	http://teqip.jdvu.ac.in/qsar_tools/	VERB
eurjchem-1949	56	3	]	]	PUNCT
eurjchem-1949	56	4	.	.	PUNCT
eurjchem-1949	57	1	the	the	DET
eurjchem-1949	57	2	development	development	NOUN
eurjchem-1949	57	3	of	of	ADP
eurjchem-1949	57	4	the	the	DET
eurjchem-1949	57	5	qsar	qsar	NOUN
eurjchem-1949	57	6	model	model	NOUN
eurjchem-1949	57	7	and	and	CCONJ
eurjchem-1949	57	8	internal	internal	ADJ
eurjchem-1949	57	9	validation	validation	NOUN
eurjchem-1949	57	10	test	test	NOUN
eurjchem-1949	57	11	were	be	AUX
eurjchem-1949	57	12	performed	perform	VERB
eurjchem-1949	57	13	on	on	ADP
eurjchem-1949	57	14	the	the	DET
eurjchem-1949	57	15	training	training	NOUN
eurjchem-1949	57	16	set	set	VERB
eurjchem-1949	57	17	while	while	SCONJ
eurjchem-1949	57	18	the	the	DET
eurjchem-1949	57	19	confirmation	confirmation	NOUN
eurjchem-1949	57	20	of	of	ADP
eurjchem-1949	57	21	the	the	DET
eurjchem-1949	57	22	developed	develop	VERB
eurjchem-1949	57	23	model	model	NOUN
eurjchem-1949	57	24	was	be	AUX
eurjchem-1949	57	25	performed	perform	VERB
eurjchem-1949	57	26	on	on	ADP
eurjchem-1949	57	27	test	test	NOUN
eurjchem-1949	57	28	set	set	VERB
eurjchem-1949	57	29	[	[	X
eurjchem-1949	57	30	3	3	NUM
eurjchem-1949	57	31	]	]	PUNCT
eurjchem-1949	57	32	.	.	PUNCT
eurjchem-1949	58	1	2.6	2.6	NUM
eurjchem-1949	58	2	.	.	PUNCT
eurjchem-1949	59	1	building	building	NOUN
eurjchem-1949	59	2	of	of	ADP
eurjchem-1949	59	3	qsar	qsar	NOUN
eurjchem-1949	59	4	models	model	NOUN
eurjchem-1949	59	5	and	and	CCONJ
eurjchem-1949	59	6	internal	internal	ADJ
eurjchem-1949	59	7	validation	validation	NOUN
eurjchem-1949	59	8	the	the	DET
eurjchem-1949	59	9	qsar	qsar	NOUN
eurjchem-1949	59	10	models	model	NOUN
eurjchem-1949	59	11	were	be	AUX
eurjchem-1949	59	12	built	build	VERB
eurjchem-1949	59	13	by	by	ADP
eurjchem-1949	59	14	adopting	adopt	VERB
eurjchem-1949	59	15	the	the	DET
eurjchem-1949	59	16	genetic	genetic	ADJ
eurjchem-1949	59	17	function	function	NOUN
eurjchem-1949	59	18	approximation	approximation	NOUN
eurjchem-1949	59	19	(	(	PUNCT
eurjchem-1949	59	20	gfa	gfa	NOUN
eurjchem-1949	59	21	)	)	PUNCT
eurjchem-1949	59	22	technique	technique	NOUN
eurjchem-1949	59	23	incorporated	incorporate	VERB
eurjchem-1949	59	24	in	in	ADP
eurjchem-1949	59	25	the	the	DET
eurjchem-1949	59	26	material	material	NOUN
eurjchem-1949	59	27	studio	studio	NOUN
eurjchem-1949	59	28	software	software	NOUN
eurjchem-1949	59	29	version	version	NOUN
eurjchem-1949	59	30	8.0	8.0	NUM
eurjchem-1949	60	1	[	[	X
eurjchem-1949	60	2	https://www.3ds	https://www.3ds	PROPN
eurjchem-1949	60	3	biovia.com/products/collaborative-science/biovia-materialsstudio/	biovia.com/products/collaborative-science/biovia-materialsstudio/	PROPN
eurjchem-1949	60	4	]	]	PUNCT
eurjchem-1949	60	5	to	to	PART
eurjchem-1949	60	6	select	select	VERB
eurjchem-1949	60	7	the	the	DET
eurjchem-1949	60	8	optimum	optimum	ADJ
eurjchem-1949	60	9	descriptors	descriptor	NOUN
eurjchem-1949	60	10	for	for	ADP
eurjchem-1949	60	11	the	the	DET
eurjchem-1949	60	12	training	training	NOUN
eurjchem-1949	60	13	set	set	NOUN
eurjchem-1949	60	14	.	.	PUNCT
eurjchem-1949	61	1	meanwhile	meanwhile	ADV
eurjchem-1949	61	2	,	,	PUNCT
eurjchem-1949	61	3	multi	multi	ADJ
eurjchem-1949	61	4	-	-	ADJ
eurjchem-1949	61	5	linear	linear	ADJ
eurjchem-1949	61	6	regression	regression	NOUN
eurjchem-1949	61	7	approach	approach	NOUN
eurjchem-1949	61	8	(	(	PUNCT
eurjchem-1949	61	9	mlr	mlr	NOUN
eurjchem-1949	61	10	)	)	PUNCT
eurjchem-1949	62	1	[	[	X
eurjchem-1949	62	2	7	7	NUM
eurjchem-1949	62	3	]	]	PUNCT
eurjchem-1949	62	4	was	be	AUX
eurjchem-1949	62	5	used	use	VERB
eurjchem-1949	62	6	as	as	ADP
eurjchem-1949	62	7	a	a	DET
eurjchem-1949	62	8	modelling	modelling	NOUN
eurjchem-1949	62	9	tool	tool	NOUN
eurjchem-1949	62	10	to	to	PART
eurjchem-1949	62	11	develop	develop	VERB
eurjchem-1949	62	12	the	the	DET
eurjchem-1949	62	13	multi	multi	ADJ
eurjchem-1949	62	14	-	-	ADJ
eurjchem-1949	62	15	variant	variant	ADJ
eurjchem-1949	62	16	equations	equation	NOUN
eurjchem-1949	62	17	by	by	ADP
eurjchem-1949	62	18	placing	place	VERB
eurjchem-1949	62	19	the	the	DET
eurjchem-1949	62	20	activity	activity	NOUN
eurjchem-1949	62	21	data	datum	NOUN
eurjchem-1949	62	22	in	in	ADP
eurjchem-1949	62	23	the	the	DET
eurjchem-1949	62	24	last	last	ADJ
eurjchem-1949	62	25	column	column	NOUN
eurjchem-1949	62	26	of	of	ADP
eurjchem-1949	62	27	microsoft	microsoft	PROPN
eurjchem-1949	62	28	excel	excel	PROPN
eurjchem-1949	62	29	2013	2013	NUM
eurjchem-1949	62	30	spread	spread	NOUN
eurjchem-1949	62	31	sheet	sheet	NOUN
eurjchem-1949	62	32	which	which	PRON
eurjchem-1949	62	33	was	be	AUX
eurjchem-1949	62	34	later	later	ADV
eurjchem-1949	62	35	imported	import	VERB
eurjchem-1949	62	36	into	into	ADP
eurjchem-1949	62	37	the	the	DET
eurjchem-1949	62	38	material	material	NOUN
eurjchem-1949	62	39	studio	studio	NOUN
eurjchem-1949	62	40	software	software	NOUN
eurjchem-1949	62	41	version	version	NOUN
eurjchem-1949	62	42	8.0	8.0	NUM
eurjchem-1949	62	43	to	to	PART
eurjchem-1949	62	44	generate	generate	VERB
eurjchem-1949	62	45	the	the	DET
eurjchem-1949	62	46	qsar	qsar	NOUN
eurjchem-1949	62	47	model	model	NOUN
eurjchem-1949	62	48	.	.	PUNCT
eurjchem-1949	63	1	the	the	DET
eurjchem-1949	63	2	internal	internal	ADJ
eurjchem-1949	63	3	validation	validation	NOUN
eurjchem-1949	63	4	test	test	NOUN
eurjchem-1949	63	5	to	to	PART
eurjchem-1949	63	6	affirm	affirm	VERB
eurjchem-1949	63	7	the	the	DET
eurjchem-1949	63	8	built	build	VERB
eurjchem-1949	63	9	model	model	NOUN
eurjchem-1949	63	10	is	be	AUX
eurjchem-1949	63	11	robust	robust	ADJ
eurjchem-1949	63	12	and	and	CCONJ
eurjchem-1949	63	13	also	also	ADV
eurjchem-1949	63	14	have	have	VERB
eurjchem-1949	63	15	a	a	DET
eurjchem-1949	63	16	high	high	ADJ
eurjchem-1949	63	17	predictability	predictability	NOUN
eurjchem-1949	63	18	was	be	AUX
eurjchem-1949	63	19	also	also	ADV
eurjchem-1949	63	20	performed	perform	VERB
eurjchem-1949	63	21	in	in	ADP
eurjchem-1949	63	22	material	material	NOUN
eurjchem-1949	63	23	studio	studio	NOUN
eurjchem-1949	63	24	software	software	NOUN
eurjchem-1949	63	25	version	version	NOUN
eurjchem-1949	63	26	8.0	8.0	NUM
eurjchem-1949	63	27	and	and	CCONJ
eurjchem-1949	63	28	reported	report	VERB
eurjchem-1949	63	29	.	.	PUNCT
eurjchem-1949	64	1	2.7	2.7	NUM
eurjchem-1949	64	2	.	.	PUNCT
eurjchem-1949	64	3	applicability	applicability	NOUN
eurjchem-1949	64	4	domain	domain	NOUN
eurjchem-1949	64	5	influential	influential	ADJ
eurjchem-1949	64	6	and	and	CCONJ
eurjchem-1949	64	7	outlier	outlier	ADJ
eurjchem-1949	64	8	molecule	molecule	NOUN
eurjchem-1949	64	9	present	present	NOUN
eurjchem-1949	64	10	in	in	ADP
eurjchem-1949	64	11	the	the	DET
eurjchem-1949	64	12	both	both	CCONJ
eurjchem-1949	64	13	the	the	DET
eurjchem-1949	64	14	training	training	NOUN
eurjchem-1949	64	15	and	and	CCONJ
eurjchem-1949	64	16	test	test	NOUN
eurjchem-1949	64	17	set	set	VERB
eurjchem-1949	64	18	were	be	AUX
eurjchem-1949	64	19	determined	determine	VERB
eurjchem-1949	64	20	by	by	ADP
eurjchem-1949	64	21	employing	employ	VERB
eurjchem-1949	64	22	the	the	DET
eurjchem-1949	64	23	applicability	applicability	NOUN
eurjchem-1949	64	24	domain	domain	NOUN
eurjchem-1949	64	25	approach	approach	NOUN
eurjchem-1949	64	26	.	.	PUNCT
eurjchem-1949	65	1	the	the	DET
eurjchem-1949	65	2	leverage	leverage	NOUN
eurjchem-1949	65	3	hi	hi	INTJ
eurjchem-1949	65	4	approach	approach	NOUN
eurjchem-1949	65	5	as	as	ADP
eurjchem-1949	65	6	2020	2020	NUM
eurjchem-1949	65	7	–	–	PUNCT
eurjchem-1949	65	8	european	european	ADJ
eurjchem-1949	65	9	journal	journal	NOUN
eurjchem-1949	65	10	of	of	ADP
eurjchem-1949	65	11	chemistry	chemistry	NOUN
eurjchem-1949	65	12	–	–	PUNCT
eurjchem-1949	65	13	cc	cc	NOUN
eurjchem-1949	65	14	by	by	ADP
eurjchem-1949	65	15	nc	nc	PROPN
eurjchem-1949	65	16	–	–	PUNCT
eurjchem-1949	65	17	doi	doi	NOUN
eurjchem-1949	65	18	:	:	PUNCT
eurjchem-1949	65	19	10.5155	10.5155	NUM
eurjchem-1949	65	20	/	/	SYM
eurjchem-1949	65	21	eurjchem.11.1.60	eurjchem.11.1.60	PROPN
eurjchem-1949	65	22	-	-	PUNCT
eurjchem-1949	65	23	67.1949	67.1949	NUM
eurjchem-1949	65	24	http://teqip.jdvu.ac.in/qsar_tools/	http://teqip.jdvu.ac.in/qsar_tools/	VERB
eurjchem-1949	65	25	62	62	NUM
eurjchem-1949	65	26	adeniji	adeniji	NOUN
eurjchem-1949	65	27	et	et	PROPN
eurjchem-1949	65	28	al	al	PROPN
eurjchem-1949	65	29	.	.	PUNCT
eurjchem-1949	65	30	/	/	SYM
eurjchem-1949	65	31	european	european	PROPN
eurjchem-1949	65	32	journal	journal	PROPN
eurjchem-1949	65	33	of	of	ADP
eurjchem-1949	65	34	chemistry	chemistry	NOUN
eurjchem-1949	65	35	11	11	NUM
eurjchem-1949	65	36	(	(	PUNCT
eurjchem-1949	65	37	1	1	NUM
eurjchem-1949	65	38	)	)	PUNCT
eurjchem-1949	65	39	(	(	PUNCT
eurjchem-1949	65	40	2020	2020	NUM
eurjchem-1949	65	41	)	)	PUNCT
eurjchem-1949	65	42	60	60	NUM
eurjchem-1949	65	43	-	-	SYM
eurjchem-1949	65	44	67	67	NUM
eurjchem-1949	65	45	defined	define	VERB
eurjchem-1949	65	46	in	in	ADP
eurjchem-1949	65	47	equation	equation	NOUN
eurjchem-1949	65	48	(	(	PUNCT
eurjchem-1949	65	49	2	2	X
eurjchem-1949	65	50	)	)	PUNCT
eurjchem-1949	65	51	was	be	AUX
eurjchem-1949	65	52	used	use	VERB
eurjchem-1949	65	53	define	define	NOUN
eurjchem-1949	65	54	applicability	applicability	NOUN
eurjchem-1949	65	55	domain	domain	NOUN
eurjchem-1949	65	56	space	space	NOUN
eurjchem-1949	65	57	±3	±3	ADJ
eurjchem-1949	65	58	for	for	ADP
eurjchem-1949	65	59	outlier	outlier	ADJ
eurjchem-1949	65	60	molecule	molecule	NOUN
eurjchem-1949	66	1	[	[	X
eurjchem-1949	66	2	10,11	10,11	NOUN
eurjchem-1949	66	3	]	]	SYM
eurjchem-1949	66	4	.	.	PUNCT
eurjchem-1949	67	1	1	1	NUM
eurjchem-1949	67	2	(	(	PUNCT
eurjchem-1949	67	3	)	)	PUNCT
eurjchem-1949	67	4	t	t	NOUN
eurjchem-1949	67	5	t	t	NOUN
eurjchem-1949	68	1	i	i	PRON
eurjchem-1949	69	1	i	i	PRON
eurjchem-1949	70	1	ih	ih	VERB
eurjchem-1949	70	2	m	m	VERB
eurjchem-1949	70	3	m	m	VERB
eurjchem-1949	70	4	m	m	VERB
eurjchem-1949	70	5	m−=	m−=	NOUN
eurjchem-1949	70	6	(	(	PUNCT
eurjchem-1949	70	7	2	2	X
eurjchem-1949	70	8	)	)	PUNCT
eurjchem-1949	70	9	where	where	SCONJ
eurjchem-1949	70	10	mi	mi	PROPN
eurjchem-1949	70	11	represent	represent	VERB
eurjchem-1949	70	12	the	the	DET
eurjchem-1949	70	13	matrix	matrix	NOUN
eurjchem-1949	70	14	of	of	ADP
eurjchem-1949	70	15	i	i	PRON
eurjchem-1949	70	16	for	for	ADP
eurjchem-1949	70	17	the	the	DET
eurjchem-1949	70	18	training	training	NOUN
eurjchem-1949	70	19	set	set	NOUN
eurjchem-1949	70	20	.	.	PUNCT
eurjchem-1949	71	1	m	m	PROPN
eurjchem-1949	71	2	represent	represent	VERB
eurjchem-1949	71	3	the	the	DET
eurjchem-1949	71	4	n	n	NUM
eurjchem-1949	71	5	×	×	NOUN
eurjchem-1949	71	6	d	d	NOUN
eurjchem-1949	71	7	descriptor	descriptor	NOUN
eurjchem-1949	71	8	matrix	matrix	NOUN
eurjchem-1949	71	9	for	for	ADP
eurjchem-1949	71	10	the	the	DET
eurjchem-1949	71	11	training	training	NOUN
eurjchem-1949	71	12	set	set	NOUN
eurjchem-1949	71	13	and	and	CCONJ
eurjchem-1949	71	14	mt	mt	PROPN
eurjchem-1949	71	15	is	be	AUX
eurjchem-1949	71	16	the	the	DET
eurjchem-1949	71	17	transpose	transpose	NOUN
eurjchem-1949	71	18	of	of	ADP
eurjchem-1949	71	19	the	the	DET
eurjchem-1949	71	20	training	training	NOUN
eurjchem-1949	71	21	set	set	NOUN
eurjchem-1949	71	22	(	(	PUNCT
eurjchem-1949	71	23	m	m	NOUN
eurjchem-1949	71	24	)	)	PUNCT
eurjchem-1949	71	25	.	.	PUNCT
eurjchem-1949	72	1	t	t	PROPN
eurjchem-1949	73	1	i	i	PRON
eurjchem-1949	73	2	m	m	VERB
eurjchem-1949	73	3	represent	represent	VERB
eurjchem-1949	73	4	the	the	DET
eurjchem-1949	73	5	transpose	transpose	NOUN
eurjchem-1949	73	6	matrix	matrix	NOUN
eurjchem-1949	73	7	mi	mi	PROPN
eurjchem-1949	73	8	.	.	PROPN
eurjchem-1949	74	1	meanwhile	meanwhile	ADV
eurjchem-1949	74	2	,	,	PUNCT
eurjchem-1949	74	3	the	the	DET
eurjchem-1949	74	4	warning	warning	NOUN
eurjchem-1949	74	5	leverage	leverage	NOUN
eurjchem-1949	74	6	h	h	NOUN
eurjchem-1949	74	7	*	*	VERB
eurjchem-1949	74	8	defined	define	VERB
eurjchem-1949	74	9	in	in	ADP
eurjchem-1949	74	10	equation	equation	NOUN
eurjchem-1949	74	11	(	(	PUNCT
eurjchem-1949	74	12	3	3	X
eurjchem-1949	74	13	)	)	PUNCT
eurjchem-1949	74	14	is	be	AUX
eurjchem-1949	74	15	the	the	DET
eurjchem-1949	74	16	limit	limit	NOUN
eurjchem-1949	74	17	boundary	boundary	ADJ
eurjchem-1949	74	18	to	to	PART
eurjchem-1949	74	19	check	check	VERB
eurjchem-1949	74	20	for	for	ADP
eurjchem-1949	74	21	an	an	DET
eurjchem-1949	74	22	influential	influential	ADJ
eurjchem-1949	74	23	molecule	molecule	NOUN
eurjchem-1949	74	24	.	.	PUNCT
eurjchem-1949	75	1	(	(	PUNCT
eurjchem-1949	75	2	)	)	PUNCT
eurjchem-1949	75	3	*	*	SYM
eurjchem-1949	75	4	1	1	NUM
eurjchem-1949	75	5	3	3	NUM
eurjchem-1949	75	6	d	d	NOUN
eurjchem-1949	75	7	h	h	NOUN
eurjchem-1949	75	8	n	n	NOUN
eurjchem-1949	75	9	+	+	NUM
eurjchem-1949	75	10	=	=	SYM
eurjchem-1949	75	11	(	(	PUNCT
eurjchem-1949	75	12	3	3	NUM
eurjchem-1949	75	13	)	)	PUNCT
eurjchem-1949	75	14	where	where	SCONJ
eurjchem-1949	75	15	d	d	NOUN
eurjchem-1949	75	16	is	be	AUX
eurjchem-1949	75	17	the	the	DET
eurjchem-1949	75	18	total	total	ADJ
eurjchem-1949	75	19	number	number	NOUN
eurjchem-1949	75	20	of	of	ADP
eurjchem-1949	75	21	descriptors	descriptor	NOUN
eurjchem-1949	75	22	present	present	ADJ
eurjchem-1949	75	23	in	in	ADP
eurjchem-1949	75	24	the	the	DET
eurjchem-1949	75	25	built	build	VERB
eurjchem-1949	75	26	model	model	NOUN
eurjchem-1949	75	27	and	and	CCONJ
eurjchem-1949	75	28	n	n	NOUN
eurjchem-1949	75	29	is	be	AUX
eurjchem-1949	75	30	the	the	DET
eurjchem-1949	75	31	total	total	ADJ
eurjchem-1949	75	32	number	number	NOUN
eurjchem-1949	75	33	of	of	ADP
eurjchem-1949	75	34	compounds	compound	NOUN
eurjchem-1949	75	35	that	that	PRON
eurjchem-1949	75	36	made	make	VERB
eurjchem-1949	75	37	up	up	ADP
eurjchem-1949	75	38	the	the	DET
eurjchem-1949	75	39	training	training	NOUN
eurjchem-1949	75	40	set	set	NOUN
eurjchem-1949	75	41	.	.	PUNCT
eurjchem-1949	76	1	2.8	2.8	NUM
eurjchem-1949	76	2	.	.	X
eurjchem-1949	77	1	y	y	NOUN
eurjchem-1949	77	2	-	-	PUNCT
eurjchem-1949	77	3	randomization	randomization	NOUN
eurjchem-1949	77	4	validation	validation	NOUN
eurjchem-1949	77	5	test	test	NOUN
eurjchem-1949	77	6	y	y	NOUN
eurjchem-1949	77	7	-	-	PUNCT
eurjchem-1949	77	8	randomization	randomization	NOUN
eurjchem-1949	77	9	test	test	NOUN
eurjchem-1949	77	10	is	be	AUX
eurjchem-1949	77	11	one	one	NUM
eurjchem-1949	77	12	of	of	ADP
eurjchem-1949	77	13	the	the	DET
eurjchem-1949	77	14	external	external	ADJ
eurjchem-1949	77	15	validation	validation	NOUN
eurjchem-1949	77	16	criteria	criterion	NOUN
eurjchem-1949	77	17	which	which	PRON
eurjchem-1949	77	18	has	have	VERB
eurjchem-1949	77	19	to	to	PART
eurjchem-1949	77	20	be	be	AUX
eurjchem-1949	77	21	considered	consider	VERB
eurjchem-1949	77	22	in	in	ADP
eurjchem-1949	77	23	order	order	NOUN
eurjchem-1949	77	24	to	to	PART
eurjchem-1949	77	25	ascertain	ascertain	VERB
eurjchem-1949	77	26	that	that	SCONJ
eurjchem-1949	77	27	the	the	DET
eurjchem-1949	77	28	developed	develop	VERB
eurjchem-1949	77	29	model	model	NOUN
eurjchem-1949	77	30	is	be	AUX
eurjchem-1949	77	31	not	not	PART
eurjchem-1949	77	32	built	build	VERB
eurjchem-1949	77	33	by	by	ADP
eurjchem-1949	77	34	chance	chance	NOUN
eurjchem-1949	77	35	[	[	X
eurjchem-1949	77	36	11,12	11,12	NUM
eurjchem-1949	77	37	]	]	PUNCT
eurjchem-1949	77	38	.	.	PUNCT
eurjchem-1949	78	1	random	random	ADJ
eurjchem-1949	78	2	shuffling	shuffling	NOUN
eurjchem-1949	78	3	of	of	ADP
eurjchem-1949	78	4	the	the	DET
eurjchem-1949	78	5	data	datum	NOUN
eurjchem-1949	78	6	was	be	AUX
eurjchem-1949	78	7	performed	perform	VERB
eurjchem-1949	78	8	on	on	ADP
eurjchem-1949	78	9	the	the	DET
eurjchem-1949	78	10	training	training	NOUN
eurjchem-1949	78	11	set	set	NOUN
eurjchem-1949	78	12	following	follow	VERB
eurjchem-1949	78	13	the	the	DET
eurjchem-1949	78	14	principle	principle	NOUN
eurjchem-1949	78	15	laid	lay	VERB
eurjchem-1949	78	16	by	by	ADP
eurjchem-1949	78	17	[	[	X
eurjchem-1949	78	18	12	12	NUM
eurjchem-1949	78	19	]	]	PUNCT
eurjchem-1949	78	20	.	.	PUNCT
eurjchem-1949	79	1	the	the	DET
eurjchem-1949	79	2	activity	activity	NOUN
eurjchem-1949	79	3	data	datum	NOUN
eurjchem-1949	79	4	(	(	PUNCT
eurjchem-1949	79	5	dependent	dependent	ADJ
eurjchem-1949	79	6	variable	variable	NOUN
eurjchem-1949	79	7	)	)	PUNCT
eurjchem-1949	79	8	were	be	AUX
eurjchem-1949	79	9	shuffled	shuffle	VERB
eurjchem-1949	79	10	while	while	SCONJ
eurjchem-1949	79	11	the	the	DET
eurjchem-1949	79	12	descriptors	descriptor	NOUN
eurjchem-1949	79	13	(	(	PUNCT
eurjchem-1949	79	14	independent	independent	ADJ
eurjchem-1949	79	15	variables	variable	NOUN
eurjchem-1949	79	16	)	)	PUNCT
eurjchem-1949	79	17	were	be	AUX
eurjchem-1949	79	18	kept	keep	VERB
eurjchem-1949	79	19	unchanged	unchanged	ADJ
eurjchem-1949	79	20	in	in	ADP
eurjchem-1949	79	21	order	order	NOUN
eurjchem-1949	79	22	to	to	PART
eurjchem-1949	79	23	generate	generate	VERB
eurjchem-1949	79	24	the	the	DET
eurjchem-1949	79	25	multi	multi	ADJ
eurjchem-1949	79	26	-	-	ADJ
eurjchem-1949	79	27	linear	linear	ADJ
eurjchem-1949	79	28	regression	regression	NOUN
eurjchem-1949	79	29	(	(	PUNCT
eurjchem-1949	79	30	mlr	mlr	NOUN
eurjchem-1949	79	31	)	)	PUNCT
eurjchem-1949	79	32	model	model	NOUN
eurjchem-1949	79	33	.	.	PUNCT
eurjchem-1949	80	1	for	for	ADP
eurjchem-1949	80	2	the	the	DET
eurjchem-1949	80	3	developed	develop	VERB
eurjchem-1949	80	4	qsar	qsar	NOUN
eurjchem-1949	80	5	to	to	PART
eurjchem-1949	80	6	pass	pass	VERB
eurjchem-1949	80	7	the	the	DET
eurjchem-1949	80	8	y	y	NOUN
eurjchem-1949	80	9	-	-	PUNCT
eurjchem-1949	80	10	randomization	randomization	NOUN
eurjchem-1949	80	11	test	test	NOUN
eurjchem-1949	80	12	,	,	PUNCT
eurjchem-1949	80	13	the	the	DET
eurjchem-1949	80	14	r2	r2	PROPN
eurjchem-1949	80	15	and	and	CCONJ
eurjchem-1949	80	16	q2	q2	NOUN
eurjchem-1949	80	17	values	value	NOUN
eurjchem-1949	80	18	for	for	ADP
eurjchem-1949	80	19	the	the	DET
eurjchem-1949	80	20	model	model	NOUN
eurjchem-1949	80	21	must	must	AUX
eurjchem-1949	80	22	be	be	AUX
eurjchem-1949	80	23	significantly	significantly	ADV
eurjchem-1949	80	24	low	low	ADJ
eurjchem-1949	80	25	for	for	ADP
eurjchem-1949	80	26	numbers	number	NOUN
eurjchem-1949	80	27	of	of	ADP
eurjchem-1949	80	28	trials	trial	NOUN
eurjchem-1949	80	29	while	while	SCONJ
eurjchem-1949	80	30	y	y	NOUN
eurjchem-1949	80	31	-	-	PUNCT
eurjchem-1949	80	32	randomization	randomization	NOUN
eurjchem-1949	80	33	coefficient	coefficient	NOUN
eurjchem-1949	80	34	(	(	PUNCT
eurjchem-1949	80	35	2	2	NUM
eurjchem-1949	80	36	pcr	pcr	NOUN
eurjchem-1949	80	37	)	)	PUNCT
eurjchem-1949	80	38	shown	show	VERB
eurjchem-1949	80	39	in	in	ADP
eurjchem-1949	80	40	equation	equation	NOUN
eurjchem-1949	80	41	(	(	PUNCT
eurjchem-1949	80	42	4	4	X
eurjchem-1949	80	43	)	)	PUNCT
eurjchem-1949	80	44	must	must	AUX
eurjchem-1949	80	45	be	be	AUX
eurjchem-1949	80	46	≥	≥	NOUN
eurjchem-1949	80	47	0.5	0.5	NUM
eurjchem-1949	80	48	in	in	ADP
eurjchem-1949	80	49	order	order	NOUN
eurjchem-1949	80	50	to	to	PART
eurjchem-1949	80	51	establish	establish	VERB
eurjchem-1949	80	52	the	the	DET
eurjchem-1949	80	53	robustness	robustness	NOUN
eurjchem-1949	80	54	of	of	ADP
eurjchem-1949	80	55	the	the	DET
eurjchem-1949	80	56	model	model	NOUN
eurjchem-1949	80	57	.	.	PUNCT
eurjchem-1949	81	1	(	(	PUNCT
eurjchem-1949	81	2	)	)	PUNCT
eurjchem-1949	81	3	222	222	NUM
eurjchem-1949	81	4	2	2	NUM
eurjchem-1949	81	5	p	p	NOUN
eurjchem-1949	81	6	rcr	rcr	NOUN
eurjchem-1949	81	7	r	r	NOUN
eurjchem-1949	81	8	r	r	NOUN
eurjchem-1949	81	9	r	r	PUNCT
eurjchem-1949	81	10	=	=	PUNCT
eurjchem-1949	81	11	×	×	PROPN
eurjchem-1949	81	12	−	−	PROPN
eurjchem-1949	81	13			PROPN
eurjchem-1949	81	14	(	(	PUNCT
eurjchem-1949	81	15	4	4	NUM
eurjchem-1949	81	16	)	)	PUNCT
eurjchem-1949	81	17	where	where	SCONJ
eurjchem-1949	81	18	,	,	PUNCT
eurjchem-1949	81	19	2	2	NUM
eurjchem-1949	81	20	pcr	pcr	NOUN
eurjchem-1949	81	21	is	be	AUX
eurjchem-1949	81	22	y	y	NOUN
eurjchem-1949	81	23	-	-	PUNCT
eurjchem-1949	81	24	randomization	randomization	NOUN
eurjchem-1949	81	25	coefficient	coefficient	NOUN
eurjchem-1949	81	26	,	,	PUNCT
eurjchem-1949	81	27	r	r	NOUN
eurjchem-1949	81	28	is	be	AUX
eurjchem-1949	81	29	correlation	correlation	NOUN
eurjchem-1949	81	30	coefficient	coefficient	NOUN
eurjchem-1949	81	31	and	and	CCONJ
eurjchem-1949	81	32	rr	rr	PROPN
eurjchem-1949	81	33	is	be	AUX
eurjchem-1949	81	34	average	average	ADJ
eurjchem-1949	81	35	‘	'	PUNCT
eurjchem-1949	81	36	r	r	NOUN
eurjchem-1949	81	37	’	'	PUNCT
eurjchem-1949	81	38	of	of	ADP
eurjchem-1949	81	39	random	random	ADJ
eurjchem-1949	81	40	models	model	NOUN
eurjchem-1949	81	41	.	.	PUNCT
eurjchem-1949	82	1	2.9	2.9	NUM
eurjchem-1949	82	2	.	.	PUNCT
eurjchem-1949	83	1	assertion	assertion	NOUN
eurjchem-1949	83	2	of	of	ADP
eurjchem-1949	83	3	the	the	DET
eurjchem-1949	83	4	build	build	NOUN
eurjchem-1949	83	5	model	model	NOUN
eurjchem-1949	83	6	the	the	DET
eurjchem-1949	83	7	internal	internal	ADJ
eurjchem-1949	83	8	and	and	CCONJ
eurjchem-1949	83	9	external	external	ADJ
eurjchem-1949	83	10	validation	validation	NOUN
eurjchem-1949	83	11	criteria	criterion	NOUN
eurjchem-1949	83	12	for	for	ADP
eurjchem-1949	83	13	both	both	DET
eurjchem-1949	83	14	test	test	NOUN
eurjchem-1949	83	15	and	and	CCONJ
eurjchem-1949	83	16	training	training	NOUN
eurjchem-1949	83	17	set	set	NOUN
eurjchem-1949	83	18	reported	report	VERB
eurjchem-1949	83	19	were	be	AUX
eurjchem-1949	83	20	compared	compare	VERB
eurjchem-1949	83	21	with	with	ADP
eurjchem-1949	83	22	the	the	DET
eurjchem-1949	83	23	generally	generally	ADV
eurjchem-1949	83	24	accepted	accept	VERB
eurjchem-1949	83	25	threshold	threshold	NOUN
eurjchem-1949	83	26	value	value	NOUN
eurjchem-1949	83	27	for	for	ADP
eurjchem-1949	83	28	any	any	DET
eurjchem-1949	83	29	qsar	qsar	NOUN
eurjchem-1949	83	30	model	model	NOUN
eurjchem-1949	83	31	[	[	X
eurjchem-1949	83	32	11,13	11,13	NUM
eurjchem-1949	83	33	-	-	SYM
eurjchem-1949	83	34	15	15	NUM
eurjchem-1949	83	35	]	]	PUNCT
eurjchem-1949	83	36	in	in	ADP
eurjchem-1949	83	37	order	order	NOUN
eurjchem-1949	83	38	to	to	PART
eurjchem-1949	83	39	affirm	affirm	VERB
eurjchem-1949	83	40	the	the	DET
eurjchem-1949	83	41	reliability	reliability	NOUN
eurjchem-1949	83	42	,	,	PUNCT
eurjchem-1949	83	43	fitting	fitting	ADJ
eurjchem-1949	83	44	,	,	PUNCT
eurjchem-1949	83	45	stability	stability	NOUN
eurjchem-1949	83	46	,	,	PUNCT
eurjchem-1949	83	47	robustness	robustness	NOUN
eurjchem-1949	83	48	and	and	CCONJ
eurjchem-1949	83	49	predictability	predictability	NOUN
eurjchem-1949	83	50	of	of	ADP
eurjchem-1949	83	51	the	the	DET
eurjchem-1949	83	52	developed	develop	VERB
eurjchem-1949	83	53	models	model	NOUN
eurjchem-1949	83	54	.	.	PUNCT
eurjchem-1949	84	1	2.10	2.10	NUM
eurjchem-1949	84	2	.	.	PUNCT
eurjchem-1949	84	3	docking	dock	VERB
eurjchem-1949	84	4	studies	study	NOUN
eurjchem-1949	84	5	2.10.1	2.10.1	NUM
eurjchem-1949	84	6	.	.	PUNCT
eurjchem-1949	85	1	preparation	preparation	NOUN
eurjchem-1949	85	2	of	of	ADP
eurjchem-1949	85	3	receptor	receptor	NOUN
eurjchem-1949	85	4	the	the	DET
eurjchem-1949	85	5	crystal	crystal	NOUN
eurjchem-1949	85	6	structure	structure	NOUN
eurjchem-1949	85	7	of	of	ADP
eurjchem-1949	85	8	dna	dna	PROPN
eurjchem-1949	85	9	gyrase	gyrase	NOUN
eurjchem-1949	85	10	used	use	VERB
eurjchem-1949	85	11	in	in	ADP
eurjchem-1949	85	12	the	the	DET
eurjchem-1949	85	13	study	study	NOUN
eurjchem-1949	85	14	was	be	AUX
eurjchem-1949	85	15	obtained	obtain	VERB
eurjchem-1949	85	16	from	from	ADP
eurjchem-1949	85	17	protein	protein	NOUN
eurjchem-1949	85	18	data	datum	NOUN
eurjchem-1949	85	19	bank	bank	PROPN
eurjchem-1949	85	20	with	with	ADP
eurjchem-1949	85	21	pdb	pdb	PROPN
eurjchem-1949	85	22	code	code	PROPN
eurjchem-1949	85	23	31fz	31fz	PROPN
eurjchem-1949	86	1	[	[	X
eurjchem-1949	86	2	16	16	NUM
eurjchem-1949	86	3	]	]	PUNCT
eurjchem-1949	86	4	.	.	PUNCT
eurjchem-1949	87	1	crystal	crystal	NOUN
eurjchem-1949	87	2	structure	structure	NOUN
eurjchem-1949	87	3	of	of	ADP
eurjchem-1949	87	4	dna	dna	PROPN
eurjchem-1949	87	5	gyrase	gyrase	NOUN
eurjchem-1949	87	6	was	be	AUX
eurjchem-1949	87	7	prepared	prepare	VERB
eurjchem-1949	87	8	by	by	ADP
eurjchem-1949	87	9	removing	remove	VERB
eurjchem-1949	87	10	all	all	DET
eurjchem-1949	87	11	bound	bind	VERB
eurjchem-1949	87	12	substances	substance	NOUN
eurjchem-1949	87	13	(	(	PUNCT
eurjchem-1949	87	14	ligands	ligand	NOUN
eurjchem-1949	87	15	and	and	CCONJ
eurjchem-1949	87	16	cofactors	cofactor	NOUN
eurjchem-1949	87	17	)	)	PUNCT
eurjchem-1949	87	18	and	and	CCONJ
eurjchem-1949	87	19	solvent	solvent	NOUN
eurjchem-1949	87	20	molecules	molecule	NOUN
eurjchem-1949	87	21	associated	associate	VERB
eurjchem-1949	87	22	with	with	ADP
eurjchem-1949	87	23	the	the	DET
eurjchem-1949	87	24	receptor	receptor	NOUN
eurjchem-1949	87	25	.	.	PUNCT
eurjchem-1949	88	1	dna	dna	PROPN
eurjchem-1949	88	2	gyrase	gyrase	NOUN
eurjchem-1949	88	3	preparation	preparation	NOUN
eurjchem-1949	88	4	was	be	AUX
eurjchem-1949	88	5	done	do	VERB
eurjchem-1949	88	6	by	by	ADP
eurjchem-1949	88	7	launching	launch	VERB
eurjchem-1949	88	8	the	the	DET
eurjchem-1949	88	9	discovery	discovery	PROPN
eurjchem-1949	88	10	studio	studio	NOUN
eurjchem-1949	88	11	visualizer	visualizer	NOUN
eurjchem-1949	88	12	software	software	NOUN
eurjchem-1949	88	13	.	.	PUNCT
eurjchem-1949	89	1	the	the	DET
eurjchem-1949	89	2	prepared	prepared	ADJ
eurjchem-1949	89	3	receptor	receptor	NOUN
eurjchem-1949	89	4	was	be	AUX
eurjchem-1949	89	5	then	then	ADV
eurjchem-1949	89	6	saved	save	VERB
eurjchem-1949	89	7	in	in	ADP
eurjchem-1949	89	8	pdb	pdb	PROPN
eurjchem-1949	89	9	file	file	NOUN
eurjchem-1949	89	10	format	format	NOUN
eurjchem-1949	89	11	which	which	PRON
eurjchem-1949	89	12	is	be	AUX
eurjchem-1949	89	13	the	the	DET
eurjchem-1949	89	14	recommended	recommend	VERB
eurjchem-1949	89	15	input	input	NOUN
eurjchem-1949	89	16	format	format	NOUN
eurjchem-1949	89	17	in	in	ADP
eurjchem-1949	89	18	pyrx	pyrx	NOUN
eurjchem-1949	89	19	and	and	CCONJ
eurjchem-1949	89	20	discovery	discovery	NOUN
eurjchem-1949	89	21	studio	studio	NOUN
eurjchem-1949	89	22	visualizer	visualizer	NOUN
eurjchem-1949	89	23	software	software	NOUN
eurjchem-1949	90	1	[	[	X
eurjchem-1949	90	2	https://www	https://www	PROPN
eurjchem-1949	90	3	.	.	PUNCT
eurjchem-1949	90	4	3dsbiovia.com/products/collaborative-science/bioviadiscovery-studio/	3dsbiovia.com/products/collaborative-science/bioviadiscovery-studio/	NUM
eurjchem-1949	90	5	]	]	PUNCT
eurjchem-1949	90	6	.	.	PUNCT
eurjchem-1949	91	1	the	the	DET
eurjchem-1949	91	2	prepared	prepared	ADJ
eurjchem-1949	91	3	receptor	receptor	NOUN
eurjchem-1949	91	4	was	be	AUX
eurjchem-1949	91	5	transported	transport	VERB
eurjchem-1949	91	6	into	into	ADP
eurjchem-1949	91	7	the	the	DET
eurjchem-1949	91	8	pyrx	pyrx	NOUN
eurjchem-1949	91	9	software	software	NOUN
eurjchem-1949	91	10	in	in	ADP
eurjchem-1949	91	11	order	order	NOUN
eurjchem-1949	91	12	to	to	PART
eurjchem-1949	91	13	make	make	VERB
eurjchem-1949	91	14	it	it	PRON
eurjchem-1949	91	15	a	a	DET
eurjchem-1949	91	16	macro	macro	ADJ
eurjchem-1949	91	17	molecule	molecule	NOUN
eurjchem-1949	91	18	.	.	PUNCT
eurjchem-1949	92	1	2.10.2	2.10.2	NUM
eurjchem-1949	92	2	.	.	PUNCT
eurjchem-1949	93	1	preparation	preparation	NOUN
eurjchem-1949	93	2	of	of	ADP
eurjchem-1949	93	3	the	the	DET
eurjchem-1949	93	4	optimum	optimum	ADJ
eurjchem-1949	93	5	ligand	ligand	NOUN
eurjchem-1949	93	6	the	the	DET
eurjchem-1949	93	7	optimum	optimum	ADJ
eurjchem-1949	93	8	ligand	ligand	NOUN
eurjchem-1949	93	9	was	be	AUX
eurjchem-1949	93	10	geometry	geometry	NOUN
eurjchem-1949	93	11	optimized	optimize	VERB
eurjchem-1949	93	12	with	with	ADP
eurjchem-1949	93	13	spartan	spartan	ADJ
eurjchem-1949	93	14	14	14	NUM
eurjchem-1949	93	15	software	software	NOUN
eurjchem-1949	93	16	at	at	ADP
eurjchem-1949	93	17	density	density	NOUN
eurjchem-1949	93	18	functional	functional	ADJ
eurjchem-1949	93	19	theory	theory	NOUN
eurjchem-1949	93	20	(	(	PUNCT
eurjchem-1949	93	21	dft	dft	NOUN
eurjchem-1949	93	22	)	)	PUNCT
eurjchem-1949	93	23	level	level	NOUN
eurjchem-1949	93	24	in	in	ADP
eurjchem-1949	93	25	order	order	NOUN
eurjchem-1949	93	26	to	to	PART
eurjchem-1949	93	27	attain	attain	VERB
eurjchem-1949	93	28	the	the	DET
eurjchem-1949	93	29	most	most	ADV
eurjchem-1949	93	30	stable	stable	ADJ
eurjchem-1949	93	31	conformer	conformer	NOUN
eurjchem-1949	93	32	of	of	ADP
eurjchem-1949	93	33	the	the	DET
eurjchem-1949	93	34	inhibitor	inhibitor	NOUN
eurjchem-1949	93	35	at	at	ADP
eurjchem-1949	93	36	minimum	minimum	ADJ
eurjchem-1949	93	37	energy	energy	NOUN
eurjchem-1949	93	38	[	[	X
eurjchem-1949	93	39	4	4	NUM
eurjchem-1949	93	40	]	]	PUNCT
eurjchem-1949	93	41	.	.	PUNCT
eurjchem-1949	94	1	the	the	DET
eurjchem-1949	94	2	optimized	optimize	VERB
eurjchem-1949	94	3	molecule	molecule	NOUN
eurjchem-1949	94	4	/	/	SYM
eurjchem-1949	94	5	ligand	ligand	NOUN
eurjchem-1949	94	6	was	be	AUX
eurjchem-1949	94	7	saved	save	VERB
eurjchem-1949	94	8	as	as	ADP
eurjchem-1949	94	9	a	a	DET
eurjchem-1949	94	10	pdb	pdb	NOUN
eurjchem-1949	94	11	file	file	NOUN
eurjchem-1949	94	12	in	in	ADP
eurjchem-1949	94	13	a	a	DET
eurjchem-1949	94	14	folder	folder	NOUN
eurjchem-1949	94	15	.	.	PUNCT
eurjchem-1949	95	1	the	the	DET
eurjchem-1949	95	2	optimized	optimize	VERB
eurjchem-1949	95	3	structure	structure	NOUN
eurjchem-1949	95	4	was	be	AUX
eurjchem-1949	95	5	then	then	ADV
eurjchem-1949	95	6	saved	save	VERB
eurjchem-1949	95	7	in	in	ADP
eurjchem-1949	95	8	pdb	pdb	PROPN
eurjchem-1949	95	9	file	file	NOUN
eurjchem-1949	95	10	format	format	NOUN
eurjchem-1949	95	11	and	and	CCONJ
eurjchem-1949	95	12	transported	transport	VERB
eurjchem-1949	95	13	into	into	ADP
eurjchem-1949	95	14	the	the	DET
eurjchem-1949	95	15	pyrx	pyrx	NOUN
eurjchem-1949	95	16	software	software	NOUN
eurjchem-1949	95	17	in	in	ADP
eurjchem-1949	95	18	order	order	NOUN
eurjchem-1949	95	19	to	to	PART
eurjchem-1949	95	20	make	make	VERB
eurjchem-1949	95	21	the	the	DET
eurjchem-1949	95	22	inhibitor	inhibitor	NOUN
eurjchem-1949	95	23	as	as	ADP
eurjchem-1949	95	24	a	a	DET
eurjchem-1949	95	25	micro	micro	ADJ
eurjchem-1949	95	26	molecule	molecule	NOUN
eurjchem-1949	95	27	(	(	PUNCT
eurjchem-1949	95	28	ligand	ligand	NOUN
eurjchem-1949	95	29	)	)	PUNCT
eurjchem-1949	96	1	[	[	X
eurjchem-1949	96	2	17	17	NUM
eurjchem-1949	96	3	]	]	PUNCT
eurjchem-1949	96	4	.	.	PUNCT
eurjchem-1949	97	1	2.10.3	2.10.3	NUM
eurjchem-1949	97	2	.	.	PUNCT
eurjchem-1949	98	1	receptor	receptor	NOUN
eurjchem-1949	98	2	-	-	PUNCT
eurjchem-1949	98	3	ligand	ligand	NOUN
eurjchem-1949	98	4	docking	docking	NOUN
eurjchem-1949	98	5	with	with	ADP
eurjchem-1949	98	6	pyrx	pyrx	NOUN
eurjchem-1949	98	7	virtual	virtual	ADJ
eurjchem-1949	98	8	screening	screening	NOUN
eurjchem-1949	98	9	software	software	NOUN
eurjchem-1949	98	10	pyrx	pyrx	NOUN
eurjchem-1949	99	1	[	[	X
eurjchem-1949	99	2	https://pyrx.sourceforge.io/	https://pyrx.sourceforge.io/	NOUN
eurjchem-1949	99	3	]	]	PUNCT
eurjchem-1949	99	4	,	,	PUNCT
eurjchem-1949	99	5	is	be	AUX
eurjchem-1949	99	6	an	an	DET
eurjchem-1949	99	7	open	open	ADJ
eurjchem-1949	99	8	source	source	NOUN
eurjchem-1949	99	9	software	software	NOUN
eurjchem-1949	99	10	for	for	ADP
eurjchem-1949	99	11	performing	perform	VERB
eurjchem-1949	99	12	virtual	virtual	ADJ
eurjchem-1949	99	13	screening	screening	NOUN
eurjchem-1949	99	14	.	.	PUNCT
eurjchem-1949	100	1	pyrx	pyrx	PROPN
eurjchem-1949	100	2	uses	use	VERB
eurjchem-1949	100	3	autodock	autodock	PROPN
eurjchem-1949	100	4	vina	vina	NOUN
eurjchem-1949	100	5	[	[	X
eurjchem-1949	100	6	http://vina.scripps.edu/	http://vina.scripps.edu/	X
eurjchem-1949	100	7	]	]	X
eurjchem-1949	100	8	and	and	CCONJ
eurjchem-1949	100	9	autodock	autodock	VERB
eurjchem-1949	100	10	4.2	4.2	NUM
eurjchem-1949	101	1	[	[	X
eurjchem-1949	101	2	http://autodock.scripps.edu/	http://autodock.scripps.edu/	X
eurjchem-1949	101	3	]	]	PUNCT
eurjchem-1949	101	4	as	as	ADP
eurjchem-1949	101	5	docking	dock	VERB
eurjchem-1949	101	6	softwares	software	NOUN
eurjchem-1949	101	7	.	.	PUNCT
eurjchem-1949	102	1	in	in	ADP
eurjchem-1949	102	2	this	this	DET
eurjchem-1949	102	3	study	study	NOUN
eurjchem-1949	102	4	,	,	PUNCT
eurjchem-1949	102	5	autodock	autodock	PROPN
eurjchem-1949	102	6	vina	vina	NOUN
eurjchem-1949	102	7	was	be	AUX
eurjchem-1949	102	8	only	only	ADV
eurjchem-1949	102	9	used	use	VERB
eurjchem-1949	102	10	to	to	PART
eurjchem-1949	102	11	carry	carry	VERB
eurjchem-1949	102	12	out	out	ADP
eurjchem-1949	102	13	the	the	DET
eurjchem-1949	102	14	molecular	molecular	ADJ
eurjchem-1949	102	15	docking	docking	NOUN
eurjchem-1949	102	16	.	.	PUNCT
eurjchem-1949	103	1	in	in	ADP
eurjchem-1949	103	2	order	order	NOUN
eurjchem-1949	103	3	to	to	PART
eurjchem-1949	103	4	perform	perform	VERB
eurjchem-1949	103	5	protein	protein	NOUN
eurjchem-1949	103	6	-	-	PUNCT
eurjchem-1949	103	7	ligand	ligand	NOUN
eurjchem-1949	103	8	docking	docking	NOUN
eurjchem-1949	103	9	,	,	PUNCT
eurjchem-1949	103	10	both	both	CCONJ
eurjchem-1949	103	11	the	the	DET
eurjchem-1949	103	12	ligand	ligand	NOUN
eurjchem-1949	103	13	and	and	CCONJ
eurjchem-1949	103	14	receptor	receptor	NOUN
eurjchem-1949	103	15	(	(	PUNCT
eurjchem-1949	103	16	dna	dna	NOUN
eurjchem-1949	103	17	gyrase	gyrase	NOUN
eurjchem-1949	103	18	)	)	PUNCT
eurjchem-1949	103	19	was	be	AUX
eurjchem-1949	103	20	converted	convert	VERB
eurjchem-1949	103	21	from	from	ADP
eurjchem-1949	103	22	pdb	pdb	PROPN
eurjchem-1949	103	23	files	file	NOUN
eurjchem-1949	103	24	to	to	ADP
eurjchem-1949	103	25	pdbqt	pdbqt	NOUN
eurjchem-1949	103	26	(	(	PUNCT
eurjchem-1949	103	27	protein	protein	NOUN
eurjchem-1949	103	28	data	data	PROPN
eurjchem-1949	103	29	bank	bank	NOUN
eurjchem-1949	103	30	,	,	PUNCT
eurjchem-1949	103	31	partial	partial	ADJ
eurjchem-1949	103	32	charge	charge	NOUN
eurjchem-1949	103	33	and	and	CCONJ
eurjchem-1949	103	34	atom	atom	NOUN
eurjchem-1949	103	35	type	type	NOUN
eurjchem-1949	103	36	)	)	PUNCT
eurjchem-1949	103	37	files	file	NOUN
eurjchem-1949	103	38	(	(	PUNCT
eurjchem-1949	103	39	vina	vina	NOUN
eurjchem-1949	103	40	input	input	NOUN
eurjchem-1949	103	41	file	file	NOUN
eurjchem-1949	103	42	format	format	NOUN
eurjchem-1949	103	43	)	)	PUNCT
eurjchem-1949	103	44	.	.	PUNCT
eurjchem-1949	104	1	the	the	DET
eurjchem-1949	104	2	conversion	conversion	NOUN
eurjchem-1949	104	3	of	of	ADP
eurjchem-1949	104	4	pdb	pdb	PROPN
eurjchem-1949	104	5	files	file	NOUN
eurjchem-1949	104	6	to	to	PART
eurjchem-1949	104	7	pdbqt	pdbqt	ADJ
eurjchem-1949	104	8	files	file	NOUN
eurjchem-1949	104	9	(	(	PUNCT
eurjchem-1949	104	10	vina	vina	NOUN
eurjchem-1949	104	11	input	input	NOUN
eurjchem-1949	104	12	file	file	NOUN
eurjchem-1949	104	13	format	format	NOUN
eurjchem-1949	104	14	)	)	PUNCT
eurjchem-1949	104	15	was	be	AUX
eurjchem-1949	104	16	done	do	VERB
eurjchem-1949	104	17	by	by	ADP
eurjchem-1949	104	18	launching	launch	VERB
eurjchem-1949	104	19	the	the	DET
eurjchem-1949	104	20	pyrx	pyrx	NOUN
eurjchem-1949	104	21	virtual	virtual	ADJ
eurjchem-1949	104	22	screening	screening	NOUN
eurjchem-1949	104	23	software	software	NOUN
eurjchem-1949	104	24	in	in	ADP
eurjchem-1949	104	25	order	order	NOUN
eurjchem-1949	104	26	compute	compute	VERB
eurjchem-1949	104	27	the	the	DET
eurjchem-1949	104	28	binding	bind	VERB
eurjchem-1949	104	29	score	score	NOUN
eurjchem-1949	104	30	(	(	PUNCT
eurjchem-1949	104	31	kcal	kcal	NOUN
eurjchem-1949	104	32	/	/	SYM
eurjchem-1949	104	33	mol	mol	NOUN
eurjchem-1949	104	34	)	)	PUNCT
eurjchem-1949	104	35	.	.	PUNCT
eurjchem-1949	105	1	the	the	PRON
eurjchem-1949	105	2	more	more	ADV
eurjchem-1949	105	3	the	the	DET
eurjchem-1949	105	4	negative	negative	ADJ
eurjchem-1949	105	5	the	the	DET
eurjchem-1949	105	6	binding	bind	VERB
eurjchem-1949	105	7	score	score	NOUN
eurjchem-1949	105	8	,	,	PUNCT
eurjchem-1949	105	9	the	the	PRON
eurjchem-1949	105	10	better	well	ADJ
eurjchem-1949	105	11	the	the	DET
eurjchem-1949	105	12	orientation	orientation	NOUN
eurjchem-1949	105	13	of	of	ADP
eurjchem-1949	105	14	the	the	DET
eurjchem-1949	105	15	ligand	ligand	NOUN
eurjchem-1949	105	16	in	in	ADP
eurjchem-1949	105	17	the	the	DET
eurjchem-1949	105	18	binding	bind	VERB
eurjchem-1949	105	19	site	site	NOUN
eurjchem-1949	105	20	of	of	ADP
eurjchem-1949	105	21	dna	dna	PROPN
eurjchem-1949	105	22	gyrase	gyrase	NOUN
eurjchem-1949	105	23	.	.	PUNCT
eurjchem-1949	106	1	the	the	DET
eurjchem-1949	106	2	docked	dock	VERB
eurjchem-1949	106	3	results	result	NOUN
eurjchem-1949	106	4	were	be	AUX
eurjchem-1949	106	5	compiled	compile	VERB
eurjchem-1949	106	6	,	,	PUNCT
eurjchem-1949	106	7	visualized	visualize	VERB
eurjchem-1949	106	8	and	and	CCONJ
eurjchem-1949	106	9	analyzed	analyze	VERB
eurjchem-1949	106	10	using	use	VERB
eurjchem-1949	106	11	discovery	discovery	NOUN
eurjchem-1949	106	12	studio	studio	NOUN
eurjchem-1949	106	13	visualizer	visualizer	NOUN
eurjchem-1949	106	14	[	[	X
eurjchem-1949	106	15	17	17	NUM
eurjchem-1949	106	16	]	]	PUNCT
eurjchem-1949	106	17	.	.	PUNCT
eurjchem-1949	107	1	3	3	X
eurjchem-1949	107	2	.	.	NOUN
eurjchem-1949	107	3	results	result	NOUN
eurjchem-1949	107	4	and	and	CCONJ
eurjchem-1949	107	5	discussion	discussion	NOUN
eurjchem-1949	107	6	3.1	3.1	NUM
eurjchem-1949	107	7	.	.	PUNCT
eurjchem-1949	108	1	qsar	qsar	PROPN
eurjchem-1949	108	2	studies	study	NOUN
eurjchem-1949	108	3	optimum	optimum	ADJ
eurjchem-1949	108	4	qsar	qsar	NOUN
eurjchem-1949	108	5	model	model	NOUN
eurjchem-1949	108	6	for	for	ADP
eurjchem-1949	108	7	predicting	predict	VERB
eurjchem-1949	108	8	the	the	DET
eurjchem-1949	108	9	derivatives	derivative	NOUN
eurjchem-1949	108	10	of	of	ADP
eurjchem-1949	108	11	2,4disubstituted	2,4disubstituted	NUM
eurjchem-1949	108	12	quinoline	quinoline	NOUN
eurjchem-1949	108	13	against	against	ADP
eurjchem-1949	108	14	m.	m.	NOUN
eurjchem-1949	108	15	tuberculosis	tuberculosis	NOUN
eurjchem-1949	108	16	was	be	AUX
eurjchem-1949	108	17	successfully	successfully	ADV
eurjchem-1949	108	18	achieved	achieve	VERB
eurjchem-1949	108	19	by	by	ADP
eurjchem-1949	108	20	adopting	adopt	VERB
eurjchem-1949	108	21	the	the	DET
eurjchem-1949	108	22	combination	combination	NOUN
eurjchem-1949	108	23	of	of	ADP
eurjchem-1949	108	24	computational	computational	ADJ
eurjchem-1949	108	25	and	and	CCONJ
eurjchem-1949	108	26	theoretical	theoretical	ADJ
eurjchem-1949	108	27	method	method	NOUN
eurjchem-1949	108	28	.	.	PUNCT
eurjchem-1949	109	1	data	datum	NOUN
eurjchem-1949	109	2	set	set	VERB
eurjchem-1949	109	3	comprises	comprise	NOUN
eurjchem-1949	109	4	of	of	ADP
eurjchem-1949	109	5	27	27	NUM
eurjchem-1949	109	6	compounds	compound	NOUN
eurjchem-1949	109	7	was	be	AUX
eurjchem-1949	109	8	partitioned	partition	VERB
eurjchem-1949	109	9	into	into	ADP
eurjchem-1949	109	10	19	19	NUM
eurjchem-1949	109	11	training	training	NOUN
eurjchem-1949	109	12	set	set	NOUN
eurjchem-1949	109	13	and	and	CCONJ
eurjchem-1949	109	14	7	7	NUM
eurjchem-1949	109	15	test	test	NOUN
eurjchem-1949	109	16	set	set	VERB
eurjchem-1949	109	17	using	use	VERB
eurjchem-1949	109	18	kennard	kennard	NOUN
eurjchem-1949	109	19	and	and	CCONJ
eurjchem-1949	109	20	stone	stone	NOUN
eurjchem-1949	109	21	algorithm	algorithm	NOUN
eurjchem-1949	109	22	method	method	NOUN
eurjchem-1949	109	23	[	[	X
eurjchem-1949	109	24	4	4	NUM
eurjchem-1949	109	25	]	]	PUNCT
eurjchem-1949	109	26	.	.	PUNCT
eurjchem-1949	110	1	the	the	DET
eurjchem-1949	110	2	20	20	NUM
eurjchem-1949	110	3	training	training	NOUN
eurjchem-1949	110	4	set	set	NOUN
eurjchem-1949	110	5	compounds	compound	NOUN
eurjchem-1949	110	6	were	be	AUX
eurjchem-1949	110	7	used	use	VERB
eurjchem-1949	110	8	to	to	PART
eurjchem-1949	110	9	derive	derive	VERB
eurjchem-1949	110	10	qsar	qsar	NOUN
eurjchem-1949	110	11	model	model	NOUN
eurjchem-1949	110	12	using	use	VERB
eurjchem-1949	110	13	multilinear	multilinear	PROPN
eurjchem-1949	110	14	regression	regression	NOUN
eurjchem-1949	110	15	technique	technique	NOUN
eurjchem-1949	110	16	which	which	PRON
eurjchem-1949	110	17	also	also	ADV
eurjchem-1949	110	18	served	serve	VERB
eurjchem-1949	110	19	as	as	ADP
eurjchem-1949	110	20	data	datum	NOUN
eurjchem-1949	110	21	set	set	VERB
eurjchem-1949	110	22	for	for	ADP
eurjchem-1949	110	23	internal	internal	ADJ
eurjchem-1949	110	24	validation	validation	NOUN
eurjchem-1949	110	25	test	test	NOUN
eurjchem-1949	110	26	while	while	SCONJ
eurjchem-1949	110	27	the	the	DET
eurjchem-1949	110	28	external	external	ADJ
eurjchem-1949	110	29	validation	validation	NOUN
eurjchem-1949	110	30	test	test	NOUN
eurjchem-1949	110	31	for	for	ADP
eurjchem-1949	110	32	the	the	DET
eurjchem-1949	110	33	derived	derive	VERB
eurjchem-1949	110	34	model	model	NOUN
eurjchem-1949	110	35	was	be	AUX
eurjchem-1949	110	36	conducted	conduct	VERB
eurjchem-1949	110	37	on	on	ADP
eurjchem-1949	110	38	the	the	DET
eurjchem-1949	110	39	test	test	NOUN
eurjchem-1949	110	40	set	set	NOUN
eurjchem-1949	110	41	.	.	PUNCT
eurjchem-1949	111	1	the	the	DET
eurjchem-1949	111	2	observed	observe	VERB
eurjchem-1949	111	3	activities	activity	NOUN
eurjchem-1949	111	4	reported	report	VERB
eurjchem-1949	111	5	in	in	ADP
eurjchem-1949	111	6	literature	literature	NOUN
eurjchem-1949	111	7	and	and	CCONJ
eurjchem-1949	111	8	the	the	DET
eurjchem-1949	111	9	calculated	calculate	VERB
eurjchem-1949	111	10	activities	activity	NOUN
eurjchem-1949	111	11	calculated	calculate	VERB
eurjchem-1949	111	12	for	for	ADP
eurjchem-1949	111	13	all	all	DET
eurjchem-1949	111	14	the	the	DET
eurjchem-1949	111	15	anti	anti	ADJ
eurjchem-1949	111	16	-	-	ADJ
eurjchem-1949	111	17	tubercular	tubercular	ADJ
eurjchem-1949	111	18	compounds	compound	NOUN
eurjchem-1949	111	19	were	be	AUX
eurjchem-1949	111	20	presented	present	VERB
eurjchem-1949	111	21	in	in	ADP
eurjchem-1949	111	22	table	table	NOUN
eurjchem-1949	111	23	1	1	NUM
eurjchem-1949	111	24	.	.	PUNCT
eurjchem-1949	112	1	the	the	DET
eurjchem-1949	112	2	difference	difference	NOUN
eurjchem-1949	112	3	between	between	ADP
eurjchem-1949	112	4	the	the	DET
eurjchem-1949	112	5	observed	observe	VERB
eurjchem-1949	112	6	activities	activity	NOUN
eurjchem-1949	112	7	and	and	CCONJ
eurjchem-1949	112	8	calculated	calculated	ADJ
eurjchem-1949	112	9	activities	activity	NOUN
eurjchem-1949	112	10	is	be	AUX
eurjchem-1949	112	11	the	the	DET
eurjchem-1949	112	12	residual	residual	ADJ
eurjchem-1949	112	13	values	value	NOUN
eurjchem-1949	112	14	which	which	PRON
eurjchem-1949	112	15	were	be	AUX
eurjchem-1949	112	16	observed	observe	VERB
eurjchem-1949	112	17	to	to	PART
eurjchem-1949	112	18	be	be	AUX
eurjchem-1949	112	19	significant	significant	ADJ
eurjchem-1949	112	20	low	low	ADJ
eurjchem-1949	112	21	.	.	PUNCT
eurjchem-1949	113	1	the	the	DET
eurjchem-1949	113	2	low	low	ADJ
eurjchem-1949	113	3	residual	residual	ADJ
eurjchem-1949	113	4	value	value	NOUN
eurjchem-1949	113	5	indicates	indicate	VERB
eurjchem-1949	113	6	that	that	SCONJ
eurjchem-1949	113	7	the	the	DET
eurjchem-1949	113	8	model	model	NOUN
eurjchem-1949	113	9	built	build	VERB
eurjchem-1949	113	10	has	have	VERB
eurjchem-1949	113	11	a	a	DET
eurjchem-1949	113	12	good	good	ADJ
eurjchem-1949	113	13	predictive	predictive	ADJ
eurjchem-1949	113	14	ability	ability	NOUN
eurjchem-1949	113	15	.	.	PUNCT
eurjchem-1949	114	1	the	the	DET
eurjchem-1949	114	2	optimum	optimum	ADJ
eurjchem-1949	114	3	(	(	PUNCT
eurjchem-1949	114	4	2d	2d	NOUN
eurjchem-1949	114	5	and	and	CCONJ
eurjchem-1949	114	6	3d	3d	NUM
eurjchem-1949	114	7	)	)	PUNCT
eurjchem-1949	114	8	descriptors	descriptor	NOUN
eurjchem-1949	114	9	that	that	PRON
eurjchem-1949	114	10	efficiently	efficiently	ADV
eurjchem-1949	114	11	describe	describe	VERB
eurjchem-1949	114	12	the	the	DET
eurjchem-1949	114	13	anti	anti	ADJ
eurjchem-1949	114	14	-	-	ADJ
eurjchem-1949	114	15	tubercular	tubercular	ADJ
eurjchem-1949	114	16	compounds	compound	NOUN
eurjchem-1949	114	17	in	in	ADP
eurjchem-1949	114	18	relation	relation	NOUN
eurjchem-1949	114	19	to	to	ADP
eurjchem-1949	114	20	their	their	PRON
eurjchem-1949	114	21	biological	biological	ADJ
eurjchem-1949	114	22	activities	activity	NOUN
eurjchem-1949	114	23	selected	select	VERB
eurjchem-1949	114	24	by	by	ADP
eurjchem-1949	114	25	genetic	genetic	ADJ
eurjchem-1949	114	26	function	function	NOUN
eurjchem-1949	114	27	approximation	approximation	NOUN
eurjchem-1949	114	28	(	(	PUNCT
eurjchem-1949	114	29	gfa	gfa	PROPN
eurjchem-1949	114	30	)	)	PUNCT
eurjchem-1949	114	31	approach	approach	NOUN
eurjchem-1949	114	32	were	be	AUX
eurjchem-1949	114	33	reported	report	VERB
eurjchem-1949	114	34	in	in	ADP
eurjchem-1949	114	35	table	table	NOUN
eurjchem-1949	114	36	2	2	NUM
eurjchem-1949	114	37	.	.	PUNCT
eurjchem-1949	114	38	various	various	ADJ
eurjchem-1949	114	39	statistical	statistical	ADJ
eurjchem-1949	114	40	analyses	analysis	NOUN
eurjchem-1949	114	41	were	be	AUX
eurjchem-1949	114	42	conducted	conduct	VERB
eurjchem-1949	114	43	on	on	ADP
eurjchem-1949	114	44	the	the	DET
eurjchem-1949	114	45	calculated	calculate	VERB
eurjchem-1949	114	46	descriptors	descriptor	NOUN
eurjchem-1949	114	47	in	in	ADP
eurjchem-1949	114	48	order	order	NOUN
eurjchem-1949	114	49	to	to	PART
eurjchem-1949	114	50	check	check	VERB
eurjchem-1949	114	51	the	the	DET
eurjchem-1949	114	52	validity	validity	NOUN
eurjchem-1949	114	53	of	of	ADP
eurjchem-1949	114	54	the	the	DET
eurjchem-1949	114	55	built	build	VERB
eurjchem-1949	114	56	model	model	NOUN
eurjchem-1949	114	57	as	as	SCONJ
eurjchem-1949	114	58	reported	report	VERB
eurjchem-1949	114	59	in	in	ADP
eurjchem-1949	114	60	table	table	NOUN
eurjchem-1949	114	61	3	3	NUM
eurjchem-1949	114	62	.	.	X
eurjchem-1949	114	63	variance	variance	NOUN
eurjchem-1949	114	64	inflation	inflation	NOUN
eurjchem-1949	114	65	factor	factor	NOUN
eurjchem-1949	114	66	(	(	PUNCT
eurjchem-1949	114	67	vif	vif	NOUN
eurjchem-1949	114	68	)	)	PUNCT
eurjchem-1949	114	69	was	be	AUX
eurjchem-1949	114	70	evaluated	evaluate	VERB
eurjchem-1949	114	71	for	for	ADP
eurjchem-1949	114	72	all	all	DET
eurjchem-1949	114	73	the	the	DET
eurjchem-1949	114	74	descriptors	descriptor	NOUN
eurjchem-1949	114	75	in	in	ADP
eurjchem-1949	114	76	order	order	NOUN
eurjchem-1949	114	77	to	to	PART
eurjchem-1949	114	78	determine	determine	VERB
eurjchem-1949	114	79	the	the	DET
eurjchem-1949	114	80	degree	degree	NOUN
eurjchem-1949	114	81	of	of	ADP
eurjchem-1949	114	82	correlation	correlation	NOUN
eurjchem-1949	114	83	between	between	ADP
eurjchem-1949	114	84	each	each	PRON
eurjchem-1949	114	85	the	the	DET
eurjchem-1949	114	86	descriptor	descriptor	NOUN
eurjchem-1949	114	87	.	.	PUNCT
eurjchem-1949	115	1	generally	generally	ADV
eurjchem-1949	115	2	,	,	PUNCT
eurjchem-1949	115	3	vif	vif	NOUN
eurjchem-1949	115	4	value	value	NOUN
eurjchem-1949	115	5	equal	equal	ADJ
eurjchem-1949	115	6	to	to	ADP
eurjchem-1949	115	7	1	1	NUM
eurjchem-1949	115	8	or	or	CCONJ
eurjchem-1949	115	9	falls	fall	VERB
eurjchem-1949	115	10	with	with	ADP
eurjchem-1949	115	11	1	1	NUM
eurjchem-1949	115	12	and	and	CCONJ
eurjchem-1949	115	13	5	5	NUM
eurjchem-1949	115	14	signify	signify	VERB
eurjchem-1949	115	15	non	non	ADJ
eurjchem-1949	115	16	-	-	NOUN
eurjchem-1949	115	17	existence	existence	NOUN
eurjchem-1949	115	18	of	of	ADP
eurjchem-1949	115	19	inter	inter	NOUN
eurjchem-1949	115	20	-	-	NOUN
eurjchem-1949	115	21	correlation	correlation	NOUN
eurjchem-1949	115	22	among	among	ADP
eurjchem-1949	115	23	the	the	DET
eurjchem-1949	115	24	descriptors	descriptor	NOUN
eurjchem-1949	115	25	.	.	PUNCT
eurjchem-1949	116	1	however	however	ADV
eurjchem-1949	116	2	,	,	PUNCT
eurjchem-1949	116	3	if	if	SCONJ
eurjchem-1949	116	4	the	the	DET
eurjchem-1949	116	5	vif	vif	NOUN
eurjchem-1949	116	6	value	value	NOUN
eurjchem-1949	116	7	is	be	AUX
eurjchem-1949	116	8	greater	great	ADJ
eurjchem-1949	116	9	than	than	ADP
eurjchem-1949	116	10	10	10	NUM
eurjchem-1949	116	11	,	,	PUNCT
eurjchem-1949	116	12	it	it	PRON
eurjchem-1949	116	13	signify	signify	VERB
eurjchem-1949	116	14	that	that	SCONJ
eurjchem-1949	116	15	the	the	DET
eurjchem-1949	116	16	model	model	NOUN
eurjchem-1949	116	17	developed	develop	VERB
eurjchem-1949	116	18	is	be	AUX
eurjchem-1949	116	19	unstable	unstable	ADJ
eurjchem-1949	116	20	hence	hence	ADV
eurjchem-1949	116	21	,	,	PUNCT
eurjchem-1949	116	22	the	the	DET
eurjchem-1949	116	23	model	model	NOUN
eurjchem-1949	116	24	should	should	AUX
eurjchem-1949	116	25	be	be	AUX
eurjchem-1949	116	26	re	re	VERB
eurjchem-1949	116	27	-	-	VERB
eurjchem-1949	116	28	checked	check	VERB
eurjchem-1949	116	29	if	if	SCONJ
eurjchem-1949	116	30	necessary	necessary	ADJ
eurjchem-1949	116	31	.	.	PUNCT
eurjchem-1949	117	1	regarding	regard	VERB
eurjchem-1949	117	2	the	the	DET
eurjchem-1949	117	3	vif	vif	NOUN
eurjchem-1949	117	4	values	value	NOUN
eurjchem-1949	117	5	for	for	ADP
eurjchem-1949	117	6	each	each	PRON
eurjchem-1949	117	7	the	the	DET
eurjchem-1949	117	8	descriptors	descriptor	NOUN
eurjchem-1949	117	9	which	which	PRON
eurjchem-1949	117	10	were	be	AUX
eurjchem-1949	117	11	found	find	VERB
eurjchem-1949	117	12	to	to	PART
eurjchem-1949	117	13	be	be	AUX
eurjchem-1949	117	14	less	less	ADJ
eurjchem-1949	117	15	than	than	ADP
eurjchem-1949	117	16	5	5	NUM
eurjchem-1949	117	17	as	as	SCONJ
eurjchem-1949	117	18	reported	report	VERB
eurjchem-1949	117	19	in	in	ADP
eurjchem-1949	117	20	table	table	NOUN
eurjchem-1949	117	21	3	3	NUM
eurjchem-1949	117	22	affirm	affirm	NOUN
eurjchem-1949	117	23	that	that	SCONJ
eurjchem-1949	117	24	the	the	DET
eurjchem-1949	117	25	descriptors	descriptor	NOUN
eurjchem-1949	117	26	were	be	AUX
eurjchem-1949	117	27	significantly	significantly	ADV
eurjchem-1949	117	28	orthogonal	orthogonal	ADJ
eurjchem-1949	117	29	to	to	ADP
eurjchem-1949	117	30	each	each	DET
eurjchem-1949	117	31	order	order	NOUN
eurjchem-1949	117	32	since	since	SCONJ
eurjchem-1949	117	33	there	there	PRON
eurjchem-1949	117	34	is	be	VERB
eurjchem-1949	117	35	no	no	DET
eurjchem-1949	117	36	inter	inter	NOUN
eurjchem-1949	117	37	-	-	NOUN
eurjchem-1949	117	38	correlation	correlation	NOUN
eurjchem-1949	117	39	between	between	ADP
eurjchem-1949	117	40	them	they	PRON
eurjchem-1949	117	41	.	.	PUNCT
eurjchem-1949	118	1	2020	2020	NUM
eurjchem-1949	118	2	–	–	PUNCT
eurjchem-1949	118	3	european	european	ADJ
eurjchem-1949	118	4	journal	journal	NOUN
eurjchem-1949	118	5	of	of	ADP
eurjchem-1949	118	6	chemistry	chemistry	NOUN
eurjchem-1949	118	7	–	–	PUNCT
eurjchem-1949	118	8	cc	cc	NOUN
eurjchem-1949	118	9	by	by	ADP
eurjchem-1949	118	10	nc	nc	PROPN
eurjchem-1949	118	11	–	–	PUNCT
eurjchem-1949	118	12	doi	doi	NOUN
eurjchem-1949	118	13	:	:	PUNCT
eurjchem-1949	118	14	10.5155	10.5155	NUM
eurjchem-1949	118	15	/	/	SYM
eurjchem-1949	118	16	eurjchem.11.1.60	eurjchem.11.1.60	PROPN
eurjchem-1949	118	17	-	-	PUNCT
eurjchem-1949	118	18	67.1949	67.1949	NUM
eurjchem-1949	118	19	https://pyrx.sourceforge.io/	https://pyrx.sourceforge.io/	NOUN
eurjchem-1949	118	20	http://vina.scripps.edu/	http://vina.scripps.edu/	NOUN
eurjchem-1949	118	21	http://autodock.scripps.edu/	http://autodock.scripps.edu/	NOUN
eurjchem-1949	118	22	adeniji	adeniji	PROPN
eurjchem-1949	118	23	et	et	PROPN
eurjchem-1949	118	24	al	al	PROPN
eurjchem-1949	118	25	.	.	PUNCT
eurjchem-1949	118	26	/	/	SYM
eurjchem-1949	118	27	european	european	PROPN
eurjchem-1949	118	28	journal	journal	PROPN
eurjchem-1949	118	29	of	of	ADP
eurjchem-1949	118	30	chemistry	chemistry	NOUN
eurjchem-1949	118	31	11	11	NUM
eurjchem-1949	118	32	(	(	PUNCT
eurjchem-1949	118	33	1	1	NUM
eurjchem-1949	118	34	)	)	PUNCT
eurjchem-1949	118	35	(	(	PUNCT
eurjchem-1949	118	36	2020	2020	NUM
eurjchem-1949	118	37	)	)	PUNCT
eurjchem-1949	118	38	60	60	NUM
eurjchem-1949	118	39	-	-	SYM
eurjchem-1949	118	40	67	67	NUM
eurjchem-1949	118	41	63	63	NUM
eurjchem-1949	118	42	table	table	NOUN
eurjchem-1949	118	43	2	2	NUM
eurjchem-1949	118	44	.	.	NOUN
eurjchem-1949	118	45	list	list	NOUN
eurjchem-1949	118	46	of	of	ADP
eurjchem-1949	118	47	some	some	DET
eurjchem-1949	118	48	descriptors	descriptor	NOUN
eurjchem-1949	118	49	used	use	VERB
eurjchem-1949	118	50	in	in	ADP
eurjchem-1949	118	51	the	the	DET
eurjchem-1949	118	52	qsar	qsar	PROPN
eurjchem-1949	118	53	optimization	optimization	NOUN
eurjchem-1949	118	54	model	model	NOUN
eurjchem-1949	118	55	.	.	PUNCT
eurjchem-1949	119	1	no	no	DET
eurjchem-1949	119	2	descriptors	descriptor	NOUN
eurjchem-1949	119	3	symbols	symbol	NOUN
eurjchem-1949	119	4	name	name	NOUN
eurjchem-1949	119	5	of	of	ADP
eurjchem-1949	119	6	descriptor(s	descriptor(s	NOUN
eurjchem-1949	119	7	)	)	PUNCT
eurjchem-1949	119	8	class	class	NOUN
eurjchem-1949	119	9	1	1	NUM
eurjchem-1949	119	10	aats7s	aats7s	NOUN
eurjchem-1949	119	11	average	average	ADJ
eurjchem-1949	119	12	broto	broto	NOUN
eurjchem-1949	119	13	-	-	PUNCT
eurjchem-1949	119	14	moreau	moreau	PROPN
eurjchem-1949	119	15	autocorrelation	autocorrelation	NOUN
eurjchem-1949	119	16	lag	lag	VERB
eurjchem-1949	119	17	7	7	NUM
eurjchem-1949	119	18	/	/	SYM
eurjchem-1949	119	19	weighted	weight	VERB
eurjchem-1949	119	20	by	by	ADP
eurjchem-1949	119	21	i	i	PROPN
eurjchem-1949	119	22	-	-	PUNCT
eurjchem-1949	119	23	state	state	NOUN
eurjchem-1949	119	24	2d	2d	PROPN
eurjchem-1949	119	25	2	2	NUM
eurjchem-1949	119	26	vr1	vr1	PROPN
eurjchem-1949	119	27	-	-	PUNCT
eurjchem-1949	119	28	dzi	dzi	NOUN
eurjchem-1949	119	29	randic	randic	ADJ
eurjchem-1949	119	30	-	-	PUNCT
eurjchem-1949	119	31	like	like	ADJ
eurjchem-1949	119	32	eigenvector	eigenvector	NOUN
eurjchem-1949	119	33	-	-	PUNCT
eurjchem-1949	119	34	based	base	VERB
eurjchem-1949	119	35	index	index	NOUN
eurjchem-1949	119	36	from	from	ADP
eurjchem-1949	119	37	barysz	barysz	NOUN
eurjchem-1949	119	38	matrix	matrix	NOUN
eurjchem-1949	119	39	/	/	SYM
eurjchem-1949	119	40	weighted	weight	VERB
eurjchem-1949	119	41	by	by	ADP
eurjchem-1949	119	42	first	first	ADJ
eurjchem-1949	119	43	ionization	ionization	NOUN
eurjchem-1949	119	44	potential	potential	ADJ
eurjchem-1949	119	45	2d	2d	NUM
eurjchem-1949	119	46	3	3	NUM
eurjchem-1949	119	47	vr1	vr1	NOUN
eurjchem-1949	119	48	-	-	PUNCT
eurjchem-1949	119	49	dzs	dzs	NOUN
eurjchem-1949	119	50	randic	randic	ADJ
eurjchem-1949	119	51	-	-	PUNCT
eurjchem-1949	119	52	like	like	ADJ
eurjchem-1949	119	53	eigenvector	eigenvector	NOUN
eurjchem-1949	119	54	-	-	PUNCT
eurjchem-1949	119	55	based	base	VERB
eurjchem-1949	119	56	index	index	NOUN
eurjchem-1949	119	57	from	from	ADP
eurjchem-1949	119	58	barysz	barysz	NOUN
eurjchem-1949	119	59	matrix	matrix	NOUN
eurjchem-1949	119	60	/	/	SYM
eurjchem-1949	119	61	weighted	weight	VERB
eurjchem-1949	119	62	by	by	ADP
eurjchem-1949	119	63	i	i	PROPN
eurjchem-1949	119	64	-	-	PUNCT
eurjchem-1949	119	65	state	state	NOUN
eurjchem-1949	119	66	2d	2d	NUM
eurjchem-1949	119	67	4	4	NUM
eurjchem-1949	119	68	spmin7	spmin7	NOUN
eurjchem-1949	119	69	-	-	PUNCT
eurjchem-1949	119	70	bhe	bhe	PROPN
eurjchem-1949	119	71	smallest	small	ADJ
eurjchem-1949	119	72	absolute	absolute	ADJ
eurjchem-1949	119	73	eigenvalue	eigenvalue	NOUN
eurjchem-1949	119	74	of	of	ADP
eurjchem-1949	119	75	burden	burden	NOUN
eurjchem-1949	119	76	modified	modify	VERB
eurjchem-1949	119	77	matrix	matrix	NOUN
eurjchem-1949	119	78	n7	n7	PROPN
eurjchem-1949	119	79	/	/	PUNCT
eurjchem-1949	119	80	weighted	weight	VERB
eurjchem-1949	119	81	by	by	ADP
eurjchem-1949	119	82	relative	relative	ADJ
eurjchem-1949	119	83	sanderson	sanderson	PROPN
eurjchem-1949	119	84	electronegativities	electronegativity	NOUN
eurjchem-1949	119	85	2d	2d	X
eurjchem-1949	119	86	5	5	NUM
eurjchem-1949	119	87	rdf110i	rdf110i	NOUN
eurjchem-1949	119	88	radial	radial	ADJ
eurjchem-1949	119	89	distribution	distribution	NOUN
eurjchem-1949	119	90	function	function	NOUN
eurjchem-1949	119	91	110	110	NUM
eurjchem-1949	119	92	/	/	SYM
eurjchem-1949	119	93	weighted	weight	VERB
eurjchem-1949	119	94	by	by	ADP
eurjchem-1949	119	95	relative	relative	ADJ
eurjchem-1949	119	96	i	i	PROPN
eurjchem-1949	119	97	-	-	PUNCT
eurjchem-1949	119	98	state	state	NOUN
eurjchem-1949	119	99	3d	3d	NUM
eurjchem-1949	119	100	table	table	NOUN
eurjchem-1949	120	1	3	3	NUM
eurjchem-1949	120	2	.	.	PUNCT
eurjchem-1949	120	3	statistical	statistical	ADJ
eurjchem-1949	120	4	parameters	parameter	NOUN
eurjchem-1949	120	5	that	that	PRON
eurjchem-1949	120	6	influence	influence	VERB
eurjchem-1949	120	7	the	the	DET
eurjchem-1949	120	8	model	model	NOUN
eurjchem-1949	120	9	.	.	PUNCT
eurjchem-1949	121	1	descriptor	descriptor	NOUN
eurjchem-1949	121	2	standard	standard	PROPN
eurjchem-1949	121	3	regression	regression	NOUN
eurjchem-1949	121	4	coefficient	coefficient	NOUN
eurjchem-1949	121	5	(	(	PUNCT
eurjchem-1949	121	6	bj	bj	NOUN
eurjchem-1949	121	7	)	)	PUNCT
eurjchem-1949	121	8	mean	mean	ADJ
eurjchem-1949	121	9	effect	effect	NOUN
eurjchem-1949	121	10	(	(	PUNCT
eurjchem-1949	121	11	me	i	PRON
eurjchem-1949	121	12	)	)	PUNCT
eurjchem-1949	121	13	p	p	NOUN
eurjchem-1949	121	14	-	-	PUNCT
eurjchem-1949	121	15	value	value	NOUN
eurjchem-1949	121	16	(	(	PUNCT
eurjchem-1949	121	17	confidence	confidence	NOUN
eurjchem-1949	121	18	interval	interval	NOUN
eurjchem-1949	121	19	)	)	PUNCT
eurjchem-1949	121	20	vif	vif	PROPN
eurjchem-1949	121	21	standard	standard	ADJ
eurjchem-1949	121	22	error	error	NOUN
eurjchem-1949	121	23	aats7s	aats7s	NOUN
eurjchem-1949	121	24	-0.4082	-0.4082	NOUN
eurjchem-1949	121	25	-0.4178	-0.4178	PUNCT
eurjchem-1949	122	1	2.38×10	2.38×10	NUM
eurjchem-1949	122	2	-	-	SYM
eurjchem-1949	122	3	5	5	NUM
eurjchem-1949	122	4	1.3429	1.3429	NUM
eurjchem-1949	122	5	0.0067	0.0067	NUM
eurjchem-1949	122	6	vr1	vr1	PROPN
eurjchem-1949	122	7	-	-	PUNCT
eurjchem-1949	122	8	dzi	dzi	PROPN
eurjchem-1949	122	9	0.2248	0.2248	NUM
eurjchem-1949	122	10	0.2233	0.2233	NUM
eurjchem-1949	122	11	6.19×10	6.19×10	X
eurjchem-1949	122	12	-	-	SYM
eurjchem-1949	122	13	4	4	NUM
eurjchem-1949	122	14	3.8139	3.8139	NUM
eurjchem-1949	122	15	0.0298	0.0298	NUM
eurjchem-1949	122	16	vr1	vr1	NOUN
eurjchem-1949	122	17	-	-	PUNCT
eurjchem-1949	122	18	dzs	dzs	PROPN
eurjchem-1949	122	19	0.3393	0.3393	NUM
eurjchem-1949	122	20	0.3478	0.3478	NUM
eurjchem-1949	122	21	4.34×10	4.34×10	NUM
eurjchem-1949	122	22	-	-	SYM
eurjchem-1949	122	23	6	6	NUM
eurjchem-1949	122	24	1.9125	1.9125	NUM
eurjchem-1949	122	25	0.0984	0.0984	NUM
eurjchem-1949	122	26	spmin7	spmin7	PROPN
eurjchem-1949	122	27	-	-	PUNCT
eurjchem-1949	122	28	bhe	bhe	PROPN
eurjchem-1949	122	29	-0.6830	-0.6830	PROPN
eurjchem-1949	122	30	-0.6922	-0.6922	PROPN
eurjchem-1949	123	1	2.72×10	2.72×10	NUM
eurjchem-1949	123	2	-	-	SYM
eurjchem-1949	123	3	5	5	NUM
eurjchem-1949	123	4	1.6912	1.6912	NUM
eurjchem-1949	123	5	0.0049	0.0049	NUM
eurjchem-1949	123	6	rdf110i	rdf110i	NOUN
eurjchem-1949	124	1	0.8528	0.8528	NUM
eurjchem-1949	124	2	0.8847	0.8847	NUM
eurjchem-1949	124	3	5.02×10	5.02×10	NUM
eurjchem-1949	124	4	-	-	SYM
eurjchem-1949	124	5	3	3	NUM
eurjchem-1949	124	6	2.2013	2.2013	NUM
eurjchem-1949	124	7	0.0054	0.0054	NUM
eurjchem-1949	124	8	table	table	NOUN
eurjchem-1949	124	9	4	4	NUM
eurjchem-1949	124	10	.	.	PUNCT
eurjchem-1949	125	1	pearson	pearson	PROPN
eurjchem-1949	125	2	’s	’s	PART
eurjchem-1949	125	3	correlation	correlation	NOUN
eurjchem-1949	125	4	coefficient	coefficient	NOUN
eurjchem-1949	125	5	for	for	ADP
eurjchem-1949	125	6	the	the	DET
eurjchem-1949	125	7	descriptor	descriptor	NOUN
eurjchem-1949	125	8	used	use	VERB
eurjchem-1949	125	9	in	in	ADP
eurjchem-1949	125	10	the	the	DET
eurjchem-1949	125	11	qsar	qsar	NOUN
eurjchem-1949	125	12	model	model	NOUN
eurjchem-1949	125	13	.	.	PUNCT
eurjchem-1949	126	1	inter	inter	ADJ
eurjchem-1949	126	2	-	-	NOUN
eurjchem-1949	126	3	correlation	correlation	ADJ
eurjchem-1949	126	4	aats5e	aats5e	NOUN
eurjchem-1949	126	5	vr1	vr1	PROPN
eurjchem-1949	126	6	-	-	PUNCT
eurjchem-1949	126	7	dzs	dzs	PROPN
eurjchem-1949	126	8	spmin7	spmin7	PROPN
eurjchem-1949	126	9	-	-	PUNCT
eurjchem-1949	126	10	bhe	bhe	PROPN
eurjchem-1949	126	11	tdb9e	tdb9e	PROPN
eurjchem-1949	126	12	rdf110i	rdf110i	NOUN
eurjchem-1949	126	13	aats7s	aats7s	NOUN
eurjchem-1949	126	14	1.0000	1.0000	NUM
eurjchem-1949	126	15	vr1	vr1	PROPN
eurjchem-1949	126	16	-	-	PUNCT
eurjchem-1949	126	17	dzi	dzi	PROPN
eurjchem-1949	126	18	0.4112	0.4112	NUM
eurjchem-1949	126	19	1.0000	1.0000	NUM
eurjchem-1949	126	20	vr1	vr1	PROPN
eurjchem-1949	126	21	-	-	PUNCT
eurjchem-1949	126	22	dzs	dzs	PROPN
eurjchem-1949	126	23	0.3315	0.3315	NUM
eurjchem-1949	126	24	0.2833	0.2833	NUM
eurjchem-1949	126	25	1.0000	1.0000	NUM
eurjchem-1949	126	26	spmin7	spmin7	PROPN
eurjchem-1949	126	27	-	-	PUNCT
eurjchem-1949	126	28	bhe	bhe	NOUN
eurjchem-1949	126	29	0.1395	0.1395	PROPN
eurjchem-1949	126	30	-0.5232	-0.5232	PROPN
eurjchem-1949	126	31	-0.3092	-0.3092	NOUN
eurjchem-1949	126	32	1.0000	1.0000	NUM
eurjchem-1949	126	33	rdf110i	rdf110i	NOUN
eurjchem-1949	126	34	0.0719	0.0719	NUM
eurjchem-1949	126	35	-0.0831	-0.0831	NOUN
eurjchem-1949	126	36	0.0384	0.0384	VERB
eurjchem-1949	126	37	0.0943	0.0943	NUM
eurjchem-1949	126	38	1.0000	1.0000	NUM
eurjchem-1949	126	39	the	the	DET
eurjchem-1949	126	40	degree	degree	NOUN
eurjchem-1949	126	41	of	of	ADP
eurjchem-1949	126	42	contribution	contribution	NOUN
eurjchem-1949	126	43	that	that	PRON
eurjchem-1949	126	44	each	each	DET
eurjchem-1949	126	45	descriptor	descriptor	NOUN
eurjchem-1949	126	46	plays	play	VERB
eurjchem-1949	126	47	in	in	ADP
eurjchem-1949	126	48	the	the	DET
eurjchem-1949	126	49	built	build	VERB
eurjchem-1949	126	50	model	model	NOUN
eurjchem-1949	126	51	was	be	AUX
eurjchem-1949	126	52	evaluated	evaluate	VERB
eurjchem-1949	126	53	by	by	ADP
eurjchem-1949	126	54	determining	determine	VERB
eurjchem-1949	126	55	the	the	DET
eurjchem-1949	126	56	standard	standard	ADJ
eurjchem-1949	126	57	regression	regression	NOUN
eurjchem-1949	126	58	coefficient	coefficient	NOUN
eurjchem-1949	126	59	(	(	PUNCT
eurjchem-1949	126	60	s	s	AUX
eurjchem-1949	126	61	jb	jb	PROPN
eurjchem-1949	126	62	)	)	PUNCT
eurjchem-1949	126	63	and	and	CCONJ
eurjchem-1949	126	64	mean	mean	ADJ
eurjchem-1949	126	65	effect	effect	NOUN
eurjchem-1949	126	66	(	(	PUNCT
eurjchem-1949	126	67	me	i	PRON
eurjchem-1949	126	68	)	)	PUNCT
eurjchem-1949	126	69	.	.	PUNCT
eurjchem-1949	127	1	the	the	DET
eurjchem-1949	127	2	magnitude	magnitude	NOUN
eurjchem-1949	127	3	and	and	CCONJ
eurjchem-1949	127	4	signs	sign	NOUN
eurjchem-1949	127	5	for	for	ADP
eurjchem-1949	127	6	s	s	NOUN
eurjchem-1949	127	7	jb	jb	PROPN
eurjchem-1949	127	8	and	and	CCONJ
eurjchem-1949	127	9	me	i	PRON
eurjchem-1949	127	10	values	value	NOUN
eurjchem-1949	127	11	reported	report	VERB
eurjchem-1949	127	12	in	in	ADP
eurjchem-1949	127	13	table	table	NOUN
eurjchem-1949	127	14	3	3	NUM
eurjchem-1949	127	15	indicate	indicate	VERB
eurjchem-1949	127	16	strength	strength	NOUN
eurjchem-1949	127	17	and	and	CCONJ
eurjchem-1949	127	18	direction	direction	NOUN
eurjchem-1949	127	19	with	with	ADP
eurjchem-1949	127	20	which	which	PRON
eurjchem-1949	127	21	each	each	DET
eurjchem-1949	127	22	descriptor	descriptor	NOUN
eurjchem-1949	127	23	influence	influence	VERB
eurjchem-1949	127	24	the	the	DET
eurjchem-1949	127	25	activity	activity	NOUN
eurjchem-1949	127	26	model	model	NOUN
eurjchem-1949	127	27	.	.	PUNCT
eurjchem-1949	128	1	the	the	DET
eurjchem-1949	128	2	relationship	relationship	NOUN
eurjchem-1949	128	3	between	between	ADP
eurjchem-1949	128	4	the	the	DET
eurjchem-1949	128	5	descriptors	descriptor	NOUN
eurjchem-1949	128	6	and	and	CCONJ
eurjchem-1949	128	7	biological	biological	ADJ
eurjchem-1949	128	8	activity	activity	NOUN
eurjchem-1949	128	9	of	of	ADP
eurjchem-1949	128	10	each	each	DET
eurjchem-1949	128	11	compound	compound	NOUN
eurjchem-1949	128	12	was	be	AUX
eurjchem-1949	128	13	determined	determine	VERB
eurjchem-1949	128	14	by	by	ADP
eurjchem-1949	128	15	one	one	NUM
eurjchem-1949	128	16	way	way	NOUN
eurjchem-1949	128	17	analysis	analysis	NOUN
eurjchem-1949	128	18	of	of	ADP
eurjchem-1949	128	19	variance	variance	NOUN
eurjchem-1949	128	20	(	(	PUNCT
eurjchem-1949	128	21	anova	anova	PROPN
eurjchem-1949	128	22	)	)	PUNCT
eurjchem-1949	128	23	.	.	PUNCT
eurjchem-1949	129	1	the	the	DET
eurjchem-1949	129	2	probability	probability	NOUN
eurjchem-1949	129	3	value	value	NOUN
eurjchem-1949	129	4	of	of	ADP
eurjchem-1949	129	5	each	each	PRON
eurjchem-1949	129	6	of	of	ADP
eurjchem-1949	129	7	the	the	DET
eurjchem-1949	129	8	descriptor	descriptor	NOUN
eurjchem-1949	129	9	at	at	ADP
eurjchem-1949	129	10	95	95	NUM
eurjchem-1949	129	11	%	%	NOUN
eurjchem-1949	129	12	confidence	confidence	NOUN
eurjchem-1949	129	13	level	level	NOUN
eurjchem-1949	129	14	was	be	AUX
eurjchem-1949	129	15	found	find	VERB
eurjchem-1949	129	16	to	to	PART
eurjchem-1949	129	17	be	be	AUX
eurjchem-1949	129	18	(	(	PUNCT
eurjchem-1949	129	19	p	p	X
eurjchem-1949	129	20	<	<	X
eurjchem-1949	129	21	0.05	0.05	NUM
eurjchem-1949	129	22	)	)	PUNCT
eurjchem-1949	129	23	as	as	SCONJ
eurjchem-1949	129	24	presented	present	VERB
eurjchem-1949	129	25	in	in	ADP
eurjchem-1949	129	26	table	table	NOUN
eurjchem-1949	129	27	3	3	NUM
eurjchem-1949	129	28	.	.	PUNCT
eurjchem-1949	130	1	therefore	therefore	ADV
eurjchem-1949	130	2	,	,	PUNCT
eurjchem-1949	130	3	this	this	PRON
eurjchem-1949	130	4	signify	signify	VERB
eurjchem-1949	130	5	that	that	SCONJ
eurjchem-1949	130	6	the	the	DET
eurjchem-1949	130	7	alternative	alternative	ADJ
eurjchem-1949	130	8	hypothesis	hypothesis	NOUN
eurjchem-1949	130	9	that	that	PRON
eurjchem-1949	130	10	says	say	VERB
eurjchem-1949	130	11	there	there	PRON
eurjchem-1949	130	12	is	be	VERB
eurjchem-1949	130	13	a	a	DET
eurjchem-1949	130	14	direct	direct	ADJ
eurjchem-1949	130	15	relationship	relationship	NOUN
eurjchem-1949	130	16	between	between	ADP
eurjchem-1949	130	17	the	the	DET
eurjchem-1949	130	18	biological	biological	ADJ
eurjchem-1949	130	19	activity	activity	NOUN
eurjchem-1949	130	20	of	of	ADP
eurjchem-1949	130	21	each	each	DET
eurjchem-1949	130	22	compound	compound	NOUN
eurjchem-1949	130	23	and	and	CCONJ
eurjchem-1949	130	24	the	the	DET
eurjchem-1949	130	25	descriptor	descriptor	NOUN
eurjchem-1949	130	26	swaying	sway	VERB
eurjchem-1949	130	27	the	the	DET
eurjchem-1949	130	28	built	build	VERB
eurjchem-1949	130	29	model	model	NOUN
eurjchem-1949	130	30	is	be	AUX
eurjchem-1949	130	31	accepted	accept	VERB
eurjchem-1949	130	32	thus	thus	ADV
eurjchem-1949	130	33	;	;	PUNCT
eurjchem-1949	130	34	null	null	ADJ
eurjchem-1949	130	35	hypothesis	hypothesis	NOUN
eurjchem-1949	130	36	proposing	propose	VERB
eurjchem-1949	130	37	no	no	DET
eurjchem-1949	130	38	direct	direct	ADJ
eurjchem-1949	130	39	relationship	relationship	NOUN
eurjchem-1949	130	40	between	between	ADP
eurjchem-1949	130	41	biological	biological	ADJ
eurjchem-1949	130	42	activity	activity	NOUN
eurjchem-1949	130	43	of	of	ADP
eurjchem-1949	130	44	each	each	DET
eurjchem-1949	130	45	compound	compound	NOUN
eurjchem-1949	130	46	and	and	CCONJ
eurjchem-1949	130	47	the	the	DET
eurjchem-1949	130	48	descriptor	descriptor	NOUN
eurjchem-1949	130	49	swaying	sway	VERB
eurjchem-1949	130	50	the	the	DET
eurjchem-1949	130	51	built	build	VERB
eurjchem-1949	130	52	model	model	NOUN
eurjchem-1949	130	53	is	be	AUX
eurjchem-1949	130	54	rejected	reject	VERB
eurjchem-1949	130	55	[	[	PUNCT
eurjchem-1949	130	56	17	17	NUM
eurjchem-1949	130	57	]	]	PUNCT
eurjchem-1949	130	58	.	.	PUNCT
eurjchem-1949	131	1	to	to	PART
eurjchem-1949	131	2	further	far	ADV
eurjchem-1949	131	3	justify	justify	VERB
eurjchem-1949	131	4	the	the	DET
eurjchem-1949	131	5	validation	validation	NOUN
eurjchem-1949	131	6	of	of	ADP
eurjchem-1949	131	7	the	the	DET
eurjchem-1949	131	8	descriptors	descriptor	NOUN
eurjchem-1949	131	9	in	in	ADP
eurjchem-1949	131	10	the	the	DET
eurjchem-1949	131	11	activity	activity	NOUN
eurjchem-1949	131	12	model	model	NOUN
eurjchem-1949	131	13	,	,	PUNCT
eurjchem-1949	131	14	pearson	pearson	PROPN
eurjchem-1949	131	15	correlation	correlation	NOUN
eurjchem-1949	131	16	statistic	statistic	NOUN
eurjchem-1949	131	17	was	be	AUX
eurjchem-1949	131	18	conducted	conduct	VERB
eurjchem-1949	131	19	to	to	PART
eurjchem-1949	131	20	also	also	ADV
eurjchem-1949	131	21	check	check	VERB
eurjchem-1949	131	22	whether	whether	SCONJ
eurjchem-1949	131	23	there	there	PRON
eurjchem-1949	131	24	is	be	VERB
eurjchem-1949	131	25	inter	inter	ADJ
eurjchem-1949	131	26	-	-	NOUN
eurjchem-1949	131	27	correlation	correlation	NOUN
eurjchem-1949	131	28	between	between	ADP
eurjchem-1949	131	29	each	each	DET
eurjchem-1949	131	30	descriptor	descriptor	NOUN
eurjchem-1949	131	31	.	.	PUNCT
eurjchem-1949	132	1	the	the	DET
eurjchem-1949	132	2	correlation	correlation	NOUN
eurjchem-1949	132	3	coefficient	coefficient	NOUN
eurjchem-1949	132	4	between	between	ADP
eurjchem-1949	132	5	each	each	DET
eurjchem-1949	132	6	descriptors	descriptor	NOUN
eurjchem-1949	132	7	reported	report	VERB
eurjchem-1949	132	8	in	in	ADP
eurjchem-1949	132	9	table	table	NOUN
eurjchem-1949	132	10	4	4	NUM
eurjchem-1949	132	11	were	be	AUX
eurjchem-1949	132	12	all	all	PRON
eurjchem-1949	132	13	<	<	X
eurjchem-1949	132	14	±0.8	±0.8	PROPN
eurjchem-1949	132	15	.	.	PUNCT
eurjchem-1949	133	1	hence	hence	ADV
eurjchem-1949	133	2	this	this	PRON
eurjchem-1949	133	3	implies	imply	VERB
eurjchem-1949	133	4	that	that	SCONJ
eurjchem-1949	133	5	all	all	DET
eurjchem-1949	133	6	the	the	DET
eurjchem-1949	133	7	descriptors	descriptor	NOUN
eurjchem-1949	133	8	were	be	AUX
eurjchem-1949	133	9	void	void	ADJ
eurjchem-1949	133	10	of	of	ADP
eurjchem-1949	133	11	multicollinearity	multicollinearity	NOUN
eurjchem-1949	133	12	.	.	PUNCT
eurjchem-1949	134	1	validation	validation	NOUN
eurjchem-1949	134	2	results	result	NOUN
eurjchem-1949	134	3	for	for	ADP
eurjchem-1949	134	4	both	both	CCONJ
eurjchem-1949	134	5	the	the	DET
eurjchem-1949	134	6	external	external	ADJ
eurjchem-1949	134	7	and	and	CCONJ
eurjchem-1949	134	8	internal	internal	ADJ
eurjchem-1949	134	9	assessment	assessment	NOUN
eurjchem-1949	134	10	to	to	PART
eurjchem-1949	134	11	assure	assure	VERB
eurjchem-1949	134	12	that	that	SCONJ
eurjchem-1949	134	13	the	the	DET
eurjchem-1949	134	14	built	build	VERB
eurjchem-1949	134	15	model	model	NOUN
eurjchem-1949	134	16	is	be	AUX
eurjchem-1949	134	17	reliable	reliable	ADJ
eurjchem-1949	134	18	and	and	CCONJ
eurjchem-1949	134	19	robust	robust	ADJ
eurjchem-1949	134	20	were	be	AUX
eurjchem-1949	134	21	presented	present	VERB
eurjchem-1949	134	22	in	in	ADP
eurjchem-1949	134	23	table	table	NOUN
eurjchem-1949	134	24	5	5	NUM
eurjchem-1949	134	25	.	.	PUNCT
eurjchem-1949	135	1	these	these	DET
eurjchem-1949	135	2	results	result	NOUN
eurjchem-1949	135	3	were	be	AUX
eurjchem-1949	135	4	all	all	PRON
eurjchem-1949	135	5	in	in	ADP
eurjchem-1949	135	6	full	full	ADJ
eurjchem-1949	135	7	agreement	agreement	NOUN
eurjchem-1949	135	8	with	with	ADP
eurjchem-1949	135	9	general	general	ADJ
eurjchem-1949	135	10	validation	validation	NOUN
eurjchem-1949	135	11	criteria	criterion	NOUN
eurjchem-1949	135	12	resented	resent	VERB
eurjchem-1949	135	13	in	in	ADP
eurjchem-1949	135	14	table	table	NOUN
eurjchem-1949	135	15	5	5	NUM
eurjchem-1949	135	16	to	to	PART
eurjchem-1949	135	17	truly	truly	ADV
eurjchem-1949	135	18	indorse	indorse	VERB
eurjchem-1949	135	19	that	that	SCONJ
eurjchem-1949	135	20	the	the	DET
eurjchem-1949	135	21	stability	stability	NOUN
eurjchem-1949	135	22	and	and	CCONJ
eurjchem-1949	135	23	robustness	robustness	NOUN
eurjchem-1949	135	24	of	of	ADP
eurjchem-1949	135	25	the	the	DET
eurjchem-1949	135	26	model	model	NOUN
eurjchem-1949	135	27	is	be	AUX
eurjchem-1949	135	28	valid	valid	ADJ
eurjchem-1949	135	29	.	.	PUNCT
eurjchem-1949	136	1	3.2	3.2	NUM
eurjchem-1949	136	2	.	.	PUNCT
eurjchem-1949	136	3	model	model	NOUN
eurjchem-1949	136	4	built	build	VERB
eurjchem-1949	136	5	the	the	DET
eurjchem-1949	136	6	coefficient	coefficient	NOUN
eurjchem-1949	136	7	of	of	ADP
eurjchem-1949	136	8	y	y	NOUN
eurjchem-1949	136	9	-	-	PUNCT
eurjchem-1949	136	10	randomization	randomization	NOUN
eurjchem-1949	136	11	(	(	PUNCT
eurjchem-1949	136	12	2	2	NUM
eurjchem-1949	136	13	pcr	pcr	NOUN
eurjchem-1949	136	14	)	)	PUNCT
eurjchem-1949	136	15	with	with	ADP
eurjchem-1949	136	16	significant	significant	ADJ
eurjchem-1949	136	17	value	value	NOUN
eurjchem-1949	136	18	of	of	ADP
eurjchem-1949	136	19	0.6832	0.6832	NUM
eurjchem-1949	136	20	greater	great	ADJ
eurjchem-1949	136	21	than	than	ADP
eurjchem-1949	136	22	threshold	threshold	NOUN
eurjchem-1949	136	23	value	value	NOUN
eurjchem-1949	136	24	of	of	ADP
eurjchem-1949	136	25	0.5	0.5	NUM
eurjchem-1949	136	26	reported	report	VERB
eurjchem-1949	136	27	in	in	ADP
eurjchem-1949	136	28	table	table	NOUN
eurjchem-1949	136	29	6	6	NUM
eurjchem-1949	136	30	provide	provide	VERB
eurjchem-1949	136	31	a	a	DET
eurjchem-1949	136	32	reasonable	reasonable	ADJ
eurjchem-1949	136	33	supports	support	NOUN
eurjchem-1949	136	34	that	that	SCONJ
eurjchem-1949	136	35	the	the	DET
eurjchem-1949	136	36	model	model	NOUN
eurjchem-1949	136	37	built	build	VERB
eurjchem-1949	136	38	is	be	AUX
eurjchem-1949	136	39	robust	robust	ADJ
eurjchem-1949	136	40	and	and	CCONJ
eurjchem-1949	136	41	not	not	PART
eurjchem-1949	136	42	just	just	ADV
eurjchem-1949	136	43	by	by	ADP
eurjchem-1949	136	44	chance	chance	NOUN
eurjchem-1949	136	45	.	.	PUNCT
eurjchem-1949	137	1	pba	pba	NOUN
eurjchem-1949	137	2	=	=	PUNCT
eurjchem-1949	138	1	6.631974301	6.631974301	NUM
eurjchem-1949	138	2	×	×	NOUN
eurjchem-1949	138	3	aats7s	aats7s	NOUN
eurjchem-1949	138	4	+	+	CCONJ
eurjchem-1949	138	5	0.001749220	0.001749220	NUM
eurjchem-1949	138	6	×	×	NOUN
eurjchem-1949	138	7	vr1_dzi	vr1_dzi	NOUN
eurjchem-1949	138	8	+	+	NOUN
eurjchem-1949	138	9	0.060901621×	0.060901621×	NUM
eurjchem-1949	138	10	vr1_dzs	vr1_dzs	NOUN
eurjchem-1949	138	11	6.088397140×	6.088397140×	NUM
eurjchem-1949	138	12	spmin7_bhe	spmin7_bhe	NOUN
eurjchem-1949	138	13	+	+	X
eurjchem-1949	138	14	0.097016191×	0.097016191×	NUM
eurjchem-1949	138	15	rdf90i	rdf90i	NOUN
eurjchem-1949	138	16	+	+	CCONJ
eurjchem-1949	138	17	21.24098010	21.24098010	NUM
eurjchem-1949	138	18	(	(	PUNCT
eurjchem-1949	138	19	5	5	NUM
eurjchem-1949	138	20	)	)	PUNCT
eurjchem-1949	138	21	3.3	3.3	NUM
eurjchem-1949	138	22	.	.	PUNCT
eurjchem-1949	139	1	mechanistic	mechanistic	ADJ
eurjchem-1949	139	2	information	information	NOUN
eurjchem-1949	139	3	of	of	ADP
eurjchem-1949	139	4	the	the	DET
eurjchem-1949	139	5	selected	select	VERB
eurjchem-1949	139	6	descriptors	descriptor	NOUN
eurjchem-1949	139	7	in	in	ADP
eurjchem-1949	139	8	built	build	VERB
eurjchem-1949	139	9	aats7s	aats7s	NOUN
eurjchem-1949	139	10	is	be	AUX
eurjchem-1949	139	11	average	average	ADJ
eurjchem-1949	139	12	broto	broto	NOUN
eurjchem-1949	139	13	-	-	PUNCT
eurjchem-1949	139	14	moreau	moreau	NOUN
eurjchem-1949	139	15	autocorrelation	autocorrelation	NOUN
eurjchem-1949	139	16	–	–	PUNCT
eurjchem-1949	139	17	lag	lag	NOUN
eurjchem-1949	139	18	7/	7/	NUM
eurjchem-1949	139	19	weighted	weight	VERB
eurjchem-1949	139	20	by	by	ADP
eurjchem-1949	139	21	i	i	PROPN
eurjchem-1949	139	22	-	-	PUNCT
eurjchem-1949	139	23	state	state	NOUN
eurjchem-1949	139	24	auto	auto	NOUN
eurjchem-1949	139	25	-	-	PUNCT
eurjchem-1949	139	26	correlation	correlation	NOUN
eurjchem-1949	139	27	descriptor	descriptor	NOUN
eurjchem-1949	139	28	.	.	PUNCT
eurjchem-1949	140	1	the	the	DET
eurjchem-1949	140	2	negative	negative	ADJ
eurjchem-1949	140	3	mean	mean	ADJ
eurjchem-1949	140	4	effect	effect	NOUN
eurjchem-1949	140	5	of	of	ADP
eurjchem-1949	140	6	this	this	DET
eurjchem-1949	140	7	descriptor	descriptor	NOUN
eurjchem-1949	140	8	indicates	indicate	VERB
eurjchem-1949	140	9	that	that	SCONJ
eurjchem-1949	140	10	the	the	DET
eurjchem-1949	140	11	inhibitory	inhibitory	ADJ
eurjchem-1949	140	12	activity	activity	NOUN
eurjchem-1949	140	13	will	will	AUX
eurjchem-1949	140	14	decrease	decrease	VERB
eurjchem-1949	140	15	with	with	ADP
eurjchem-1949	140	16	hydrogen	hydrogen	NOUN
eurjchem-1949	140	17	bonds	bond	NOUN
eurjchem-1949	140	18	of	of	ADP
eurjchem-1949	140	19	path	path	NOUN
eurjchem-1949	140	20	length	length	NOUN
eurjchem-1949	140	21	3	3	NUM
eurjchem-1949	140	22	.	.	PUNCT
eurjchem-1949	140	23	vr1	vr1	PROPN
eurjchem-1949	140	24	-	-	PUNCT
eurjchem-1949	140	25	dzi	dzi	PROPN
eurjchem-1949	140	26	is	be	AUX
eurjchem-1949	140	27	randic	randic	ADJ
eurjchem-1949	140	28	-	-	PUNCT
eurjchem-1949	140	29	like	like	ADJ
eurjchem-1949	140	30	eigenvector	eigenvector	NOUN
eurjchem-1949	140	31	-	-	PUNCT
eurjchem-1949	140	32	based	base	VERB
eurjchem-1949	140	33	index	index	NOUN
eurjchem-1949	140	34	from	from	ADP
eurjchem-1949	140	35	barysz	barysz	NOUN
eurjchem-1949	140	36	matrix	matrix	NOUN
eurjchem-1949	140	37	/	/	SYM
eurjchem-1949	140	38	weighted	weight	VERB
eurjchem-1949	140	39	by	by	ADP
eurjchem-1949	140	40	first	first	ADJ
eurjchem-1949	140	41	ionization	ionization	NOUN
eurjchem-1949	140	42	potential	potential	NOUN
eurjchem-1949	140	43	while	while	SCONJ
eurjchem-1949	140	44	vr1	vr1	PROPN
eurjchem-1949	140	45	-	-	PUNCT
eurjchem-1949	140	46	dzs	dzs	PROPN
eurjchem-1949	140	47	is	be	AUX
eurjchem-1949	140	48	randic	randic	ADJ
eurjchem-1949	140	49	-	-	PUNCT
eurjchem-1949	140	50	like	like	ADJ
eurjchem-1949	140	51	eigenvector	eigenvector	NOUN
eurjchem-1949	140	52	-	-	PUNCT
eurjchem-1949	140	53	based	base	VERB
eurjchem-1949	140	54	index	index	NOUN
eurjchem-1949	140	55	from	from	ADP
eurjchem-1949	140	56	barysz	barysz	NOUN
eurjchem-1949	140	57	matrix	matrix	NOUN
eurjchem-1949	140	58	/	/	SYM
eurjchem-1949	140	59	weighted	weight	VERB
eurjchem-1949	140	60	by	by	ADP
eurjchem-1949	140	61	i	i	PROPN
eurjchem-1949	140	62	-	-	PUNCT
eurjchem-1949	140	63	state	state	NOUN
eurjchem-1949	140	64	.	.	PUNCT
eurjchem-1949	141	1	from	from	ADP
eurjchem-1949	141	2	the	the	DET
eurjchem-1949	141	3	model	model	NOUN
eurjchem-1949	141	4	generated	generate	VERB
eurjchem-1949	141	5	in	in	ADP
eurjchem-1949	141	6	this	this	DET
eurjchem-1949	141	7	study	study	NOUN
eurjchem-1949	141	8	,	,	PUNCT
eurjchem-1949	141	9	these	these	DET
eurjchem-1949	141	10	descriptors	descriptor	NOUN
eurjchem-1949	141	11	have	have	VERB
eurjchem-1949	141	12	positive	positive	ADJ
eurjchem-1949	141	13	coefficient	coefficient	NOUN
eurjchem-1949	141	14	and	and	CCONJ
eurjchem-1949	141	15	positive	positive	ADJ
eurjchem-1949	141	16	mean	mean	ADJ
eurjchem-1949	141	17	effect	effect	NOUN
eurjchem-1949	141	18	value	value	NOUN
eurjchem-1949	141	19	.	.	PUNCT
eurjchem-1949	142	1	spmin7	spmin7	PROPN
eurjchem-1949	142	2	-	-	PUNCT
eurjchem-1949	142	3	bhe	bhe	PROPN
eurjchem-1949	142	4	descriptors	descriptor	NOUN
eurjchem-1949	142	5	have	have	AUX
eurjchem-1949	142	6	been	be	AUX
eurjchem-1949	142	7	proposed	propose	VERB
eurjchem-1949	142	8	as	as	ADP
eurjchem-1949	142	9	chemical	chemical	NOUN
eurjchem-1949	142	10	structure	structure	NOUN
eurjchem-1949	142	11	descriptors	descriptor	NOUN
eurjchem-1949	142	12	derived	derive	VERB
eurjchem-1949	142	13	from	from	ADP
eurjchem-1949	142	14	a	a	DET
eurjchem-1949	142	15	new	new	ADJ
eurjchem-1949	142	16	representation	representation	NOUN
eurjchem-1949	142	17	of	of	ADP
eurjchem-1949	142	18	molecular	molecular	ADJ
eurjchem-1949	142	19	structure	structure	NOUN
eurjchem-1949	142	20	.	.	PUNCT
eurjchem-1949	143	1	the	the	DET
eurjchem-1949	143	2	sign	sign	NOUN
eurjchem-1949	143	3	of	of	ADP
eurjchem-1949	143	4	the	the	DET
eurjchem-1949	143	5	coefficient	coefficient	NOUN
eurjchem-1949	143	6	of	of	ADP
eurjchem-1949	143	7	this	this	DET
eurjchem-1949	143	8	descriptor	descriptor	NOUN
eurjchem-1949	143	9	is	be	AUX
eurjchem-1949	143	10	negative	negative	ADJ
eurjchem-1949	143	11	implying	implying	ADJ
eurjchem-1949	143	12	that	that	SCONJ
eurjchem-1949	143	13	groups	group	NOUN
eurjchem-1949	143	14	having	have	VERB
eurjchem-1949	143	15	more	more	ADJ
eurjchem-1949	143	16	branching	branching	NOUN
eurjchem-1949	143	17	are	be	AUX
eurjchem-1949	143	18	diminishes	diminish	VERB
eurjchem-1949	143	19	the	the	DET
eurjchem-1949	143	20	activities	activity	NOUN
eurjchem-1949	143	21	of	of	ADP
eurjchem-1949	143	22	the	the	DET
eurjchem-1949	143	23	active	active	ADJ
eurjchem-1949	143	24	compounds	compound	NOUN
eurjchem-1949	143	25	toward	toward	ADP
eurjchem-1949	143	26	mycobacterium	mycobacterium	NOUN
eurjchem-1949	143	27	tuberculosis	tuberculosis	NOUN
eurjchem-1949	143	28	.	.	PUNCT
eurjchem-1949	144	1	rdf90i	rdf90i	NOUN
eurjchem-1949	144	2	is	be	AUX
eurjchem-1949	144	3	3d	3d	NUM
eurjchem-1949	144	4	radial	radial	ADJ
eurjchem-1949	144	5	distribution	distribution	NOUN
eurjchem-1949	144	6	function	function	NOUN
eurjchem-1949	144	7	at	at	ADP
eurjchem-1949	144	8	2.5	2.5	NUM
eurjchem-1949	144	9	inter	inter	ADJ
eurjchem-1949	144	10	-	-	ADJ
eurjchem-1949	144	11	atomic	atomic	ADJ
eurjchem-1949	144	12	distance	distance	NOUN
eurjchem-1949	144	13	weighted	weight	VERB
eurjchem-1949	144	14	by	by	ADP
eurjchem-1949	144	15	atomic	atomic	ADJ
eurjchem-1949	144	16	masses	masse	NOUN
eurjchem-1949	144	17	.	.	PUNCT
eurjchem-1949	145	1	rdf90i	rdf90i	NOUN
eurjchem-1949	145	2	with	with	ADP
eurjchem-1949	145	3	positive	positive	ADJ
eurjchem-1949	145	4	mean	mean	ADJ
eurjchem-1949	145	5	effect	effect	NOUN
eurjchem-1949	145	6	(	(	PUNCT
eurjchem-1949	145	7	mf	mf	X
eurjchem-1949	145	8	)	)	PUNCT
eurjchem-1949	145	9	indicates	indicate	VERB
eurjchem-1949	145	10	positive	positive	ADJ
eurjchem-1949	145	11	impact	impact	NOUN
eurjchem-1949	145	12	on	on	ADP
eurjchem-1949	145	13	the	the	DET
eurjchem-1949	145	14	activity	activity	NOUN
eurjchem-1949	145	15	.	.	PUNCT
eurjchem-1949	146	1	the	the	DET
eurjchem-1949	146	2	graphical	graphical	ADJ
eurjchem-1949	146	3	representation	representation	NOUN
eurjchem-1949	146	4	to	to	PART
eurjchem-1949	146	5	show	show	VERB
eurjchem-1949	146	6	the	the	DET
eurjchem-1949	146	7	degree	degree	NOUN
eurjchem-1949	146	8	of	of	ADP
eurjchem-1949	146	9	correlation	correlation	NOUN
eurjchem-1949	146	10	between	between	ADP
eurjchem-1949	146	11	the	the	DET
eurjchem-1949	146	12	calculated	calculate	VERB
eurjchem-1949	146	13	activities	activity	NOUN
eurjchem-1949	146	14	and	and	CCONJ
eurjchem-1949	146	15	observed	observed	ADJ
eurjchem-1949	146	16	activities	activity	NOUN
eurjchem-1949	146	17	of	of	ADP
eurjchem-1949	146	18	the	the	DET
eurjchem-1949	146	19	training	training	NOUN
eurjchem-1949	146	20	and	and	CCONJ
eurjchem-1949	146	21	test	test	NOUN
eurjchem-1949	146	22	set	set	VERB
eurjchem-1949	146	23	were	be	AUX
eurjchem-1949	146	24	shown	show	VERB
eurjchem-1949	146	25	in	in	ADP
eurjchem-1949	146	26	figure	figure	NOUN
eurjchem-1949	146	27	1	1	NUM
eurjchem-1949	146	28	the	the	DET
eurjchem-1949	146	29	correlation	correlation	NOUN
eurjchem-1949	146	30	coefficient	coefficient	NOUN
eurjchem-1949	146	31	(	(	PUNCT
eurjchem-1949	146	32	r2	r2	NOUN
eurjchem-1949	146	33	)	)	PUNCT
eurjchem-1949	146	34	value	value	NOUN
eurjchem-1949	146	35	of	of	ADP
eurjchem-1949	146	36	0.8875	0.8875	NUM
eurjchem-1949	146	37	and	and	CCONJ
eurjchem-1949	146	38	0.7961	0.7961	NUM
eurjchem-1949	146	39	for	for	ADP
eurjchem-1949	146	40	both	both	CCONJ
eurjchem-1949	146	41	the	the	DET
eurjchem-1949	146	42	training	training	NOUN
eurjchem-1949	146	43	set	set	NOUN
eurjchem-1949	146	44	and	and	CCONJ
eurjchem-1949	146	45	test	test	NOUN
eurjchem-1949	146	46	set	set	NOUN
eurjchem-1949	146	47	shows	show	VERB
eurjchem-1949	146	48	that	that	SCONJ
eurjchem-1949	146	49	there	there	PRON
eurjchem-1949	146	50	is	be	VERB
eurjchem-1949	146	51	a	a	DET
eurjchem-1949	146	52	high	high	ADJ
eurjchem-1949	146	53	correlation	correlation	NOUN
eurjchem-1949	146	54	existing	exist	VERB
eurjchem-1949	146	55	between	between	ADP
eurjchem-1949	146	56	the	the	DET
eurjchem-1949	146	57	calculated	calculate	VERB
eurjchem-1949	146	58	activities	activity	NOUN
eurjchem-1949	146	59	and	and	CCONJ
eurjchem-1949	146	60	observed	observed	ADJ
eurjchem-1949	146	61	activities	activity	NOUN
eurjchem-1949	146	62	of	of	ADP
eurjchem-1949	146	63	the	the	DET
eurjchem-1949	146	64	training	training	NOUN
eurjchem-1949	146	65	and	and	CCONJ
eurjchem-1949	146	66	test	test	NOUN
eurjchem-1949	146	67	set	set	VERB
eurjchem-1949	146	68	which	which	PRON
eurjchem-1949	146	69	were	be	AUX
eurjchem-1949	146	70	also	also	ADV
eurjchem-1949	146	71	in	in	ADP
eurjchem-1949	146	72	agreement	agreement	NOUN
eurjchem-1949	146	73	with	with	ADP
eurjchem-1949	146	74	the	the	DET
eurjchem-1949	146	75	accepted	accept	VERB
eurjchem-1949	146	76	qsar	qsar	NOUN
eurjchem-1949	146	77	threshold	threshold	NOUN
eurjchem-1949	146	78	values	value	NOUN
eurjchem-1949	146	79	reported	report	VERB
eurjchem-1949	146	80	in	in	ADP
eurjchem-1949	146	81	table	table	NOUN
eurjchem-1949	146	82	5	5	NUM
eurjchem-1949	146	83	.	.	PUNCT
eurjchem-1949	147	1	the	the	DET
eurjchem-1949	147	2	residual	residual	ADJ
eurjchem-1949	147	3	plot	plot	NOUN
eurjchem-1949	147	4	shown	show	VERB
eurjchem-1949	147	5	in	in	ADP
eurjchem-1949	147	6	figure	figure	NOUN
eurjchem-1949	147	7	2	2	NUM
eurjchem-1949	147	8	signify	signify	VERB
eurjchem-1949	147	9	that	that	SCONJ
eurjchem-1949	147	10	there	there	PRON
eurjchem-1949	147	11	is	be	VERB
eurjchem-1949	147	12	no	no	DET
eurjchem-1949	147	13	indication	indication	NOUN
eurjchem-1949	147	14	of	of	ADP
eurjchem-1949	147	15	computational	computational	ADJ
eurjchem-1949	147	16	incompetency	incompetency	NOUN
eurjchem-1949	147	17	and	and	CCONJ
eurjchem-1949	147	18	inaccuracy	inaccuracy	NOUN
eurjchem-1949	147	19	in	in	ADP
eurjchem-1949	147	20	the	the	DET
eurjchem-1949	147	21	qsar	qsar	NOUN
eurjchem-1949	147	22	model	model	NOUN
eurjchem-1949	147	23	derived	derive	VERB
eurjchem-1949	147	24	as	as	ADP
eurjchem-1949	147	25	all	all	DET
eurjchem-1949	147	26	the	the	DET
eurjchem-1949	147	27	standard	standard	ADJ
eurjchem-1949	147	28	residual	residual	ADJ
eurjchem-1949	147	29	values	value	NOUN
eurjchem-1949	147	30	for	for	ADP
eurjchem-1949	147	31	both	both	DET
eurjchem-1949	147	32	training	training	NOUN
eurjchem-1949	147	33	and	and	CCONJ
eurjchem-1949	147	34	test	test	NOUN
eurjchem-1949	147	35	set	set	VERB
eurjchem-1949	147	36	were	be	AUX
eurjchem-1949	147	37	found	find	VERB
eurjchem-1949	147	38	within	within	ADP
eurjchem-1949	147	39	the	the	DET
eurjchem-1949	147	40	defined	define	VERB
eurjchem-1949	147	41	boundary	boundary	NOUN
eurjchem-1949	147	42	of	of	ADP
eurjchem-1949	147	43	±2	±2	NOUN
eurjchem-1949	147	44	on	on	ADP
eurjchem-1949	147	45	the	the	DET
eurjchem-1949	147	46	standard	standard	ADJ
eurjchem-1949	147	47	residual	residual	ADJ
eurjchem-1949	147	48	activity	activity	NOUN
eurjchem-1949	147	49	axis	axis	NOUN
eurjchem-1949	147	50	.	.	PUNCT
eurjchem-1949	148	1	the	the	DET
eurjchem-1949	148	2	williams	williams	PROPN
eurjchem-1949	148	3	plot	plot	NOUN
eurjchem-1949	148	4	to	to	PART
eurjchem-1949	148	5	show	show	VERB
eurjchem-1949	148	6	the	the	DET
eurjchem-1949	148	7	applicability	applicability	NOUN
eurjchem-1949	148	8	domain	domain	NOUN
eurjchem-1949	148	9	space	space	NOUN
eurjchem-1949	148	10	(	(	PUNCT
eurjchem-1949	148	11	ad	ad	NOUN
eurjchem-1949	148	12	)	)	PUNCT
eurjchem-1949	148	13	is	be	AUX
eurjchem-1949	148	14	shown	show	VERB
eurjchem-1949	148	15	in	in	ADP
eurjchem-1949	148	16	figure	figure	NOUN
eurjchem-1949	148	17	3	3	NUM
eurjchem-1949	148	18	.	.	PUNCT
eurjchem-1949	149	1	it	it	PRON
eurjchem-1949	149	2	is	be	AUX
eurjchem-1949	149	3	also	also	ADV
eurjchem-1949	149	4	observed	observe	VERB
eurjchem-1949	149	5	that	that	SCONJ
eurjchem-1949	149	6	all	all	DET
eurjchem-1949	149	7	the	the	DET
eurjchem-1949	149	8	compounds	compound	NOUN
eurjchem-1949	149	9	fall	fall	VERB
eurjchem-1949	149	10	within	within	ADP
eurjchem-1949	149	11	the	the	DET
eurjchem-1949	149	12	defined	define	VERB
eurjchem-1949	149	13	space	space	NOUN
eurjchem-1949	149	14	of	of	ADP
eurjchem-1949	149	15	±3	±3	ADJ
eurjchem-1949	149	16	which	which	PRON
eurjchem-1949	149	17	indicates	indicate	VERB
eurjchem-1949	149	18	that	that	SCONJ
eurjchem-1949	149	19	no	no	DET
eurjchem-1949	149	20	compound	compound	NOUN
eurjchem-1949	149	21	is	be	AUX
eurjchem-1949	149	22	said	say	VERB
eurjchem-1949	149	23	to	to	PART
eurjchem-1949	149	24	be	be	AUX
eurjchem-1949	149	25	outlier	outlier	NOUN
eurjchem-1949	149	26	.	.	PUNCT
eurjchem-1949	150	1	also	also	ADV
eurjchem-1949	150	2	all	all	DET
eurjchem-1949	150	3	the	the	DET
eurjchem-1949	150	4	compounds	compound	NOUN
eurjchem-1949	150	5	fall	fall	VERB
eurjchem-1949	150	6	within	within	ADP
eurjchem-1949	150	7	the	the	DET
eurjchem-1949	150	8	defined	define	VERB
eurjchem-1949	150	9	warning	warning	NOUN
eurjchem-1949	150	10	leverage	leverage	NOUN
eurjchem-1949	150	11	(	(	PUNCT
eurjchem-1949	150	12	h	h	NOUN
eurjchem-1949	150	13	*	*	PUNCT
eurjchem-1949	150	14	=	=	NOUN
eurjchem-1949	150	15	0.95	0.95	NUM
eurjchem-1949	150	16	)	)	PUNCT
eurjchem-1949	150	17	.	.	PUNCT
eurjchem-1949	151	1	therefore	therefore	ADV
eurjchem-1949	151	2	no	no	DET
eurjchem-1949	151	3	compound	compound	NOUN
eurjchem-1949	151	4	is	be	AUX
eurjchem-1949	151	5	said	say	VERB
eurjchem-1949	151	6	to	to	PART
eurjchem-1949	151	7	be	be	AUX
eurjchem-1949	151	8	an	an	DET
eurjchem-1949	151	9	influential	influential	ADJ
eurjchem-1949	151	10	molecule	molecule	NOUN
eurjchem-1949	151	11	.	.	PUNCT
eurjchem-1949	152	1	3.4	3.4	NUM
eurjchem-1949	152	2	.	.	PUNCT
eurjchem-1949	152	3	docking	dock	VERB
eurjchem-1949	152	4	studies	study	NOUN
eurjchem-1949	152	5	3.4.1	3.4.1	NUM
eurjchem-1949	152	6	.	.	PUNCT
eurjchem-1949	152	7	evaluation	evaluation	NOUN
eurjchem-1949	152	8	binding	bind	VERB
eurjchem-1949	152	9	score	score	NOUN
eurjchem-1949	152	10	elucidation	elucidation	NOUN
eurjchem-1949	152	11	of	of	ADP
eurjchem-1949	152	12	interaction	interaction	NOUN
eurjchem-1949	152	13	type	type	NOUN
eurjchem-1949	152	14	and	and	CCONJ
eurjchem-1949	152	15	the	the	DET
eurjchem-1949	152	16	binding	bind	VERB
eurjchem-1949	152	17	mode	mode	NOUN
eurjchem-1949	152	18	between	between	ADP
eurjchem-1949	152	19	the	the	DET
eurjchem-1949	152	20	inhibitory	inhibitory	ADJ
eurjchem-1949	152	21	compound	compound	NOUN
eurjchem-1949	152	22	and	and	CCONJ
eurjchem-1949	152	23	target	target	NOUN
eurjchem-1949	152	24	(	(	PUNCT
eurjchem-1949	152	25	dna	dna	NOUN
eurjchem-1949	152	26	gyrase	gyrase	NOUN
eurjchem-1949	152	27	)	)	PUNCT
eurjchem-1949	152	28	was	be	AUX
eurjchem-1949	152	29	achieved	achieve	VERB
eurjchem-1949	152	30	via	via	ADP
eurjchem-1949	152	31	molecular	molecular	ADJ
eurjchem-1949	152	32	docking	docking	NOUN
eurjchem-1949	152	33	studies	study	NOUN
eurjchem-1949	152	34	.	.	PUNCT
eurjchem-1949	153	1	2020	2020	NUM
eurjchem-1949	153	2	–	–	PUNCT
eurjchem-1949	153	3	european	european	ADJ
eurjchem-1949	153	4	journal	journal	NOUN
eurjchem-1949	153	5	of	of	ADP
eurjchem-1949	153	6	chemistry	chemistry	NOUN
eurjchem-1949	153	7	–	–	PUNCT
eurjchem-1949	153	8	cc	cc	NOUN
eurjchem-1949	153	9	by	by	ADP
eurjchem-1949	153	10	nc	nc	PROPN
eurjchem-1949	153	11	–	–	PUNCT
eurjchem-1949	153	12	doi	doi	NOUN
eurjchem-1949	153	13	:	:	PUNCT
eurjchem-1949	153	14	10.5155	10.5155	NUM
eurjchem-1949	153	15	/	/	SYM
eurjchem-1949	153	16	eurjchem.11.1.60	eurjchem.11.1.60	PROPN
eurjchem-1949	153	17	-	-	PUNCT
eurjchem-1949	153	18	67.1949	67.1949	NUM
eurjchem-1949	153	19	64	64	NUM
eurjchem-1949	153	20	adeniji	adeniji	NOUN
eurjchem-1949	153	21	et	et	PROPN
eurjchem-1949	153	22	al	al	PROPN
eurjchem-1949	153	23	.	.	PUNCT
eurjchem-1949	153	24	/	/	SYM
eurjchem-1949	153	25	european	european	PROPN
eurjchem-1949	153	26	journal	journal	PROPN
eurjchem-1949	153	27	of	of	ADP
eurjchem-1949	153	28	chemistry	chemistry	NOUN
eurjchem-1949	153	29	11	11	NUM
eurjchem-1949	153	30	(	(	PUNCT
eurjchem-1949	153	31	1	1	NUM
eurjchem-1949	153	32	)	)	PUNCT
eurjchem-1949	153	33	(	(	PUNCT
eurjchem-1949	153	34	2020	2020	NUM
eurjchem-1949	153	35	)	)	PUNCT
eurjchem-1949	153	36	60	60	NUM
eurjchem-1949	153	37	-	-	SYM
eurjchem-1949	153	38	67	67	NUM
eurjchem-1949	153	39	table	table	NOUN
eurjchem-1949	153	40	5	5	NUM
eurjchem-1949	153	41	.	.	PUNCT
eurjchem-1949	153	42	validation	validation	NOUN
eurjchem-1949	153	43	parameters	parameter	NOUN
eurjchem-1949	153	44	for	for	ADP
eurjchem-1949	153	45	each	each	DET
eurjchem-1949	153	46	model	model	NOUN
eurjchem-1949	153	47	using	use	VERB
eurjchem-1949	153	48	multi	multi	ADJ
eurjchem-1949	153	49	-	-	ADJ
eurjchem-1949	153	50	linear	linear	ADJ
eurjchem-1949	153	51	regression	regression	NOUN
eurjchem-1949	153	52	(	(	PUNCT
eurjchem-1949	153	53	mlr	mlr	NOUN
eurjchem-1949	153	54	)	)	PUNCT
eurjchem-1949	153	55	.	.	PUNCT
eurjchem-1949	154	1	no	no	DET
eurjchem-1949	154	2	validation	validation	NOUN
eurjchem-1949	154	3	parameters	parameter	NOUN
eurjchem-1949	154	4	formula	formula	NOUN
eurjchem-1949	154	5	threshold	threshold	NOUN
eurjchem-1949	154	6	model	model	NOUN
eurjchem-1949	154	7	internal	internal	ADJ
eurjchem-1949	154	8	validation	validation	PROPN
eurjchem-1949	154	9	1	1	NUM
eurjchem-1949	154	10	friedman	friedman	NOUN
eurjchem-1949	154	11	lof	lof	PROPN
eurjchem-1949	154	12	2	2	NUM
eurjchem-1949	154	13	1	1	NUM
eurjchem-1949	154	14	see	see	VERB
eurjchem-1949	154	15	c	c	PROPN
eurjchem-1949	155	1	d	d	NOUN
eurjchem-1949	155	2	p	p	X
eurjchem-1949	155	3	m	m	PROPN
eurjchem-1949	155	4	+	+	CCONJ
eurjchem-1949	155	5	×	×	NOUN
eurjchem-1949	155	6	−	−	NOUN
eurjchem-1949	155	7			NOUN
eurjchem-1949	155	8			NOUN
eurjchem-1949	155	9			PUNCT
eurjchem-1949	155	10	significantly	significantly	ADV
eurjchem-1949	155	11	low	low	VERB
eurjchem-1949	155	12	0.0484	0.0484	NUM
eurjchem-1949	155	13	2	2	NUM
eurjchem-1949	155	14	r	r	NOUN
eurjchem-1949	155	15	-	-	PUNCT
eurjchem-1949	155	16	squared	square	VERB
eurjchem-1949	155	17	(	(	PUNCT
eurjchem-1949	155	18	)	)	PUNCT
eurjchem-1949	155	19	(	(	PUNCT
eurjchem-1949	155	20	)	)	PUNCT
eurjchem-1949	155	21	2	2	NUM
eurjchem-1949	155	22	2	2	NUM
eurjchem-1949	155	23	1	1	NUM
eurjchem-1949	155	24	pred	pred	ADJ
eurjchem-1949	155	25	training	training	NOUN
eurjchem-1949	155	26	exp	exp	NOUN
eurjchem-1949	155	27	y	y	PROPN
eurjchem-1949	155	28	exp	exp	NOUN
eurjchem-1949	155	29	y	y	PROPN
eurjchem-1949	155	30	y	y	PROPN
eurjchem-1949	155	31	y	y	PROPN
eurjchem-1949	156	1	−	−	PROPN
eurjchem-1949	157	1	−	−	PROPN
eurjchem-1949	157	2			VERB
eurjchem-1949	157	3	∑	∑	PRON
eurjchem-1949	157	4	−	−	ADJ
eurjchem-1949	157	5			ADJ
eurjchem-1949	157	6			PROPN
eurjchem-1949	157	7	∑	∑	PROPN
eurjchem-1949	157	8			ADJ
eurjchem-1949	157	9			PROPN
eurjchem-1949	157	10	r2	r2	NOUN
eurjchem-1949	157	11	>	>	X
eurjchem-1949	157	12	6	6	NUM
eurjchem-1949	157	13	0.8823	0.8823	NUM
eurjchem-1949	157	14	3	3	NUM
eurjchem-1949	157	15	adjusted	adjust	VERB
eurjchem-1949	157	16	r	r	NOUN
eurjchem-1949	157	17	-	-	PUNCT
eurjchem-1949	157	18	squared	square	VERB
eurjchem-1949	157	19	(	(	PUNCT
eurjchem-1949	157	20	)	)	SYM
eurjchem-1949	157	21	2	2	NUM
eurjchem-1949	157	22	1	1	NUM
eurjchem-1949	157	23	1	1	NUM
eurjchem-1949	157	24	r	r	NOUN
eurjchem-1949	157	25	p	p	NOUN
eurjchem-1949	157	26	n	n	CCONJ
eurjchem-1949	157	27	n	n	NOUN
eurjchem-1949	157	28	p	p	NOUN
eurjchem-1949	157	29	−	−	PROPN
eurjchem-1949	157	30	−	−	PROPN
eurjchem-1949	158	1	−	−	PROPN
eurjchem-1949	159	1	+	+	CCONJ
eurjchem-1949	159	2	2	2	NUM
eurjchem-1949	159	3	adjr	adjr	NOUN
eurjchem-1949	159	4	0.6	0.6	NUM
eurjchem-1949	159	5	>	>	NOUN
eurjchem-1949	159	6	0.8234	0.8234	NUM
eurjchem-1949	159	7	4	4	NUM
eurjchem-1949	159	8	cross	cross	NOUN
eurjchem-1949	159	9	validated	validate	VERB
eurjchem-1949	159	10	r	r	NOUN
eurjchem-1949	159	11	-	-	PUNCT
eurjchem-1949	159	12	squared	squared	ADJ
eurjchem-1949	159	13	(	(	PUNCT
eurjchem-1949	159	14	2	2	NUM
eurjchem-1949	159	15	cvq	cvq	NOUN
eurjchem-1949	159	16	)	)	PUNCT
eurjchem-1949	159	17	(	(	PUNCT
eurjchem-1949	159	18	)	)	PUNCT
eurjchem-1949	159	19	(	(	PUNCT
eurjchem-1949	159	20	)	)	PUNCT
eurjchem-1949	159	21	2	2	NUM
eurjchem-1949	159	22	2	2	NUM
eurjchem-1949	159	23	1	1	NUM
eurjchem-1949	159	24	exp	exp	NOUN
eurjchem-1949	159	25	training	training	NOUN
eurjchem-1949	159	26	pred	pre	VERB
eurjchem-1949	159	27	y	y	PROPN
eurjchem-1949	159	28	exp	exp	NOUN
eurjchem-1949	159	29	y	y	PROPN
eurjchem-1949	159	30	y	y	PROPN
eurjchem-1949	159	31	y	y	PROPN
eurjchem-1949	160	1	−	−	PROPN
eurjchem-1949	161	1	−	−	PROPN
eurjchem-1949	161	2			VERB
eurjchem-1949	161	3	∑	∑	PRON
eurjchem-1949	161	4	−	−	ADJ
eurjchem-1949	161	5			ADJ
eurjchem-1949	161	6			PROPN
eurjchem-1949	161	7	∑	∑	PROPN
eurjchem-1949	161	8			ADJ
eurjchem-1949	161	9			PROPN
eurjchem-1949	161	10	q2	q2	NOUN
eurjchem-1949	161	11	>	>	PUNCT
eurjchem-1949	161	12	6	6	NUM
eurjchem-1949	161	13	0.8012	0.8012	NUM
eurjchem-1949	161	14	5	5	NUM
eurjchem-1949	161	15	significant	significant	ADJ
eurjchem-1949	161	16	regression	regression	NOUN
eurjchem-1949	161	17	yes	yes	INTJ
eurjchem-1949	161	18	6	6	NUM
eurjchem-1949	161	19	critical	critical	ADJ
eurjchem-1949	161	20	sor	sor	NOUN
eurjchem-1949	161	21	f	f	NOUN
eurjchem-1949	161	22	-	-	PUNCT
eurjchem-1949	161	23	value	value	NOUN
eurjchem-1949	161	24	(	(	PUNCT
eurjchem-1949	161	25	95	95	NUM
eurjchem-1949	161	26	%	%	NOUN
eurjchem-1949	161	27	)	)	PUNCT
eurjchem-1949	161	28	(	(	PUNCT
eurjchem-1949	161	29	)	)	PUNCT
eurjchem-1949	161	30	(	(	PUNCT
eurjchem-1949	161	31	)	)	SYM
eurjchem-1949	161	32	2	2	NUM
eurjchem-1949	161	33	2	2	NUM
eurjchem-1949	161	34	/	/	SYM
eurjchem-1949	161	35	p	p	NOUN
eurjchem-1949	161	36	n	n	CCONJ
eurjchem-1949	161	37	p	p	NOUN
eurjchem-1949	161	38	1	1	NUM
eurjchem-1949	161	39	exp	exp	NOUN
eurjchem-1949	161	40	exppred	exppre	VERB
eurjchem-1949	161	41	y	y	PROPN
eurjchem-1949	161	42	pred	pre	VERB
eurjchem-1949	161	43	yy	yy	PROPN
eurjchem-1949	161	44	y−	y−	PROPN
eurjchem-1949	161	45	−∑	−∑	PROPN
eurjchem-1949	161	46	∑	∑	PUNCT
eurjchem-1949	161	47	−	−	PROPN
eurjchem-1949	161	48	−	−	PROPN
eurjchem-1949	161	49	f(test	f(test	ADV
eurjchem-1949	161	50	)	)	PUNCT
eurjchem-1949	161	51	>	>	X
eurjchem-1949	162	1	2.09	2.09	NUM
eurjchem-1949	162	2	3.4528	3.4528	NUM
eurjchem-1949	162	3	7	7	NUM
eurjchem-1949	162	4	replicate	replicate	ADJ
eurjchem-1949	162	5	points	point	NOUN
eurjchem-1949	162	6	0	0	NUM
eurjchem-1949	162	7	0	0	NUM
eurjchem-1949	162	8	8	8	NUM
eurjchem-1949	162	9	computed	compute	VERB
eurjchem-1949	162	10	observed	observe	VERB
eurjchem-1949	162	11	error	error	NOUN
eurjchem-1949	162	12	0	0	NUM
eurjchem-1949	162	13	0	0	NUM
eurjchem-1949	162	14	9	9	NUM
eurjchem-1949	162	15	min	min	NOUN
eurjchem-1949	162	16	expt	expt	NOUN
eurjchem-1949	162	17	.	.	PUNCT
eurjchem-1949	163	1	error	error	NOUN
eurjchem-1949	163	2	for	for	ADP
eurjchem-1949	163	3	non	non	ADJ
eurjchem-1949	163	4	-	-	ADJ
eurjchem-1949	163	5	significant	significant	ADJ
eurjchem-1949	163	6	lof	lof	NOUN
eurjchem-1949	163	7	(	(	PUNCT
eurjchem-1949	163	8	95	95	NUM
eurjchem-1949	163	9	%	%	NOUN
eurjchem-1949	163	10	)	)	PUNCT
eurjchem-1949	163	11	significantly	significantly	ADV
eurjchem-1949	163	12	low	low	ADJ
eurjchem-1949	163	13	0.0983	0.0983	NUM
eurjchem-1949	163	14	model	model	NOUN
eurjchem-1949	163	15	randomization	randomization	NOUN
eurjchem-1949	163	16	10	10	NUM
eurjchem-1949	163	17	average	average	NOUN
eurjchem-1949	163	18	of	of	ADP
eurjchem-1949	163	19	the	the	DET
eurjchem-1949	163	20	correlation	correlation	NOUN
eurjchem-1949	163	21	coefficient	coefficient	NOUN
eurjchem-1949	163	22	for	for	ADP
eurjchem-1949	163	23	randomized	randomized	ADJ
eurjchem-1949	163	24	data	datum	NOUN
eurjchem-1949	163	25	(	(	PUNCT
eurjchem-1949	163	26	rr	rr	NOUN
eurjchem-1949	163	27	)	)	PUNCT
eurjchem-1949	163	28	r	r	NOUN
eurjchem-1949	163	29	0.5	0.5	NUM
eurjchem-1949	163	30	<	<	X
eurjchem-1949	163	31	0.4543	0.4543	NUM
eurjchem-1949	163	32	11	11	NUM
eurjchem-1949	163	33	average	average	NOUN
eurjchem-1949	163	34	of	of	ADP
eurjchem-1949	163	35	determination	determination	NOUN
eurjchem-1949	163	36	coefficient	coefficient	NOUN
eurjchem-1949	163	37	for	for	ADP
eurjchem-1949	163	38	randomized	randomized	ADJ
eurjchem-1949	163	39	data	datum	NOUN
eurjchem-1949	163	40	(	(	PUNCT
eurjchem-1949	163	41	2	2	NUM
eurjchem-1949	163	42	rr	rr	NOUN
eurjchem-1949	163	43	)	)	PUNCT
eurjchem-1949	163	44	2	2	NUM
eurjchem-1949	163	45	0.5rr	0.5rr	PROPN
eurjchem-1949	163	46	<	<	X
eurjchem-1949	163	47	0.2841	0.2841	NUM
eurjchem-1949	163	48	12	12	NUM
eurjchem-1949	163	49	average	average	NOUN
eurjchem-1949	163	50	of	of	ADP
eurjchem-1949	163	51	leave	leave	NOUN
eurjchem-1949	163	52	one	one	NUM
eurjchem-1949	163	53	out	out	ADP
eurjchem-1949	163	54	cross	cross	ADJ
eurjchem-1949	163	55	-	-	ADJ
eurjchem-1949	163	56	validated	validated	ADJ
eurjchem-1949	163	57	determination	determination	NOUN
eurjchem-1949	163	58	coefficient	coefficient	NOUN
eurjchem-1949	163	59	for	for	ADP
eurjchem-1949	163	60	randomized	randomized	ADJ
eurjchem-1949	163	61	data	datum	NOUN
eurjchem-1949	163	62	(	(	PUNCT
eurjchem-1949	163	63	2	2	NUM
eurjchem-1949	163	64	rq	rq	NOUN
eurjchem-1949	163	65	)	)	PUNCT
eurjchem-1949	163	66	(	(	PUNCT
eurjchem-1949	163	67	)	)	PUNCT
eurjchem-1949	163	68	(	(	PUNCT
eurjchem-1949	163	69	)	)	PUNCT
eurjchem-1949	163	70	2	2	NUM
eurjchem-1949	163	71	2	2	NUM
eurjchem-1949	163	72	2	2	NUM
eurjchem-1949	163	73	1	1	NUM
eurjchem-1949	163	74	exp	exp	NOUN
eurjchem-1949	163	75	training	training	NOUN
eurjchem-1949	163	76	pred	pre	VERB
eurjchem-1949	163	77	y	y	PROPN
eurjchem-1949	163	78	cv	cv	PROPN
eurjchem-1949	163	79	exp	exp	PROPN
eurjchem-1949	164	1	y	y	PROPN
eurjchem-1949	164	2	y	y	PROPN
eurjchem-1949	164	3	q	q	PROPN
eurjchem-1949	164	4	y	y	PROPN
eurjchem-1949	165	1	−	−	PROPN
eurjchem-1949	166	1	−	−	PROPN
eurjchem-1949	167	1			NOUN
eurjchem-1949	167	2	∑	∑	PRON
eurjchem-1949	167	3	=	=	VERB
eurjchem-1949	167	4	−	−	PROPN
eurjchem-1949	167	5			ADJ
eurjchem-1949	167	6			PROPN
eurjchem-1949	167	7	∑	∑	PROPN
eurjchem-1949	167	8			ADJ
eurjchem-1949	167	9			PROPN
eurjchem-1949	167	10	2	2	NUM
eurjchem-1949	167	11	0.5rq	0.5rq	PROPN
eurjchem-1949	167	12	<	<	X
eurjchem-1949	167	13	-1.4322	-1.4322	ADJ
eurjchem-1949	167	14	13	13	NUM
eurjchem-1949	167	15	coefficient	coefficient	NOUN
eurjchem-1949	167	16	for	for	ADP
eurjchem-1949	167	17	y	y	NOUN
eurjchem-1949	167	18	-	-	PUNCT
eurjchem-1949	167	19	randomization	randomization	NOUN
eurjchem-1949	167	20	(	(	PUNCT
eurjchem-1949	167	21	2	2	NUM
eurjchem-1949	167	22	pcr	pcr	NOUN
eurjchem-1949	167	23	)	)	PUNCT
eurjchem-1949	167	24	(	(	PUNCT
eurjchem-1949	167	25	)	)	SYM
eurjchem-1949	167	26	2	2	NUM
eurjchem-1949	167	27	2	2	NUM
eurjchem-1949	167	28	2	2	NUM
eurjchem-1949	167	29	rr	rr	NOUN
eurjchem-1949	167	30	1	1	NUM
eurjchem-1949	167	31	r	r	NOUN
eurjchem-1949	167	32	r	r	NOUN
eurjchem-1949	167	33	×	×	NOUN
eurjchem-1949	167	34	−	−	NOUN
eurjchem-1949	167	35	−	−	NUM
eurjchem-1949	167	36	2	2	NUM
eurjchem-1949	167	37	pcr	pcr	NOUN
eurjchem-1949	167	38	0.6	0.6	NUM
eurjchem-1949	167	39	>	>	SYM
eurjchem-1949	167	40	0.6832	0.6832	NUM
eurjchem-1949	167	41	external	external	ADJ
eurjchem-1949	167	42	validation	validation	NOUN
eurjchem-1949	167	43	14	14	NUM
eurjchem-1949	167	44	slope	slope	NOUN
eurjchem-1949	167	45	of	of	ADP
eurjchem-1949	167	46	the	the	DET
eurjchem-1949	167	47	plot	plot	NOUN
eurjchem-1949	167	48	of	of	ADP
eurjchem-1949	167	49	observed	observed	ADJ
eurjchem-1949	167	50	activity	activity	NOUN
eurjchem-1949	167	51	against	against	ADP
eurjchem-1949	167	52	calculated	calculate	VERB
eurjchem-1949	167	53	activity	activity	NOUN
eurjchem-1949	167	54	values	value	NOUN
eurjchem-1949	167	55	at	at	ADP
eurjchem-1949	167	56	zero	zero	NUM
eurjchem-1949	167	57	intercept	intercept	NOUN
eurjchem-1949	167	58	(	(	PUNCT
eurjchem-1949	167	59	k	k	NOUN
eurjchem-1949	167	60	)	)	PUNCT
eurjchem-1949	167	61	obs	obs	PROPN
eurjchem-1949	167	62	cal	cal	PROPN
eurjchem-1949	167	63	y	y	PROPN
eurjchem-1949	167	64	y	y	PROPN
eurjchem-1949	167	65	∆	∆	PROPN
eurjchem-1949	167	66	∆	∆	X
eurjchem-1949	168	1	0.85	0.85	NUM
eurjchem-1949	168	2	<	<	X
eurjchem-1949	168	3	k	k	X
eurjchem-1949	168	4	<	<	X
eurjchem-1949	168	5	1.15	1.15	NUM
eurjchem-1949	168	6	1.019	1.019	NUM
eurjchem-1949	168	7	15	15	NUM
eurjchem-1949	168	8	slope	slope	NOUN
eurjchem-1949	168	9	of	of	ADP
eurjchem-1949	168	10	the	the	DET
eurjchem-1949	168	11	plot	plot	NOUN
eurjchem-1949	168	12	of	of	ADP
eurjchem-1949	168	13	calculated	calculate	VERB
eurjchem-1949	168	14	against	against	ADP
eurjchem-1949	168	15	observed	observed	ADJ
eurjchem-1949	168	16	activity	activity	NOUN
eurjchem-1949	168	17	at	at	ADP
eurjchem-1949	168	18	zero	zero	NUM
eurjchem-1949	168	19	intercept	intercept	NOUN
eurjchem-1949	168	20	(	(	PUNCT
eurjchem-1949	168	21	k′	k′	PROPN
eurjchem-1949	168	22	)	)	PUNCT
eurjchem-1949	168	23	obs	obs	PROPN
eurjchem-1949	168	24	cal	cal	PROPN
eurjchem-1949	168	25	y	y	PROPN
eurjchem-1949	168	26	y	y	PROPN
eurjchem-1949	168	27	∆	∆	PROPN
eurjchem-1949	168	28	∆	∆	X
eurjchem-1949	169	1	0.85	0.85	NUM
eurjchem-1949	169	2	<	<	X
eurjchem-1949	169	3	k	k	X
eurjchem-1949	169	4	<	<	X
eurjchem-1949	169	5	1.15	1.15	NUM
eurjchem-1949	169	6	0.8034	0.8034	NUM
eurjchem-1949	169	7	16	16	NUM
eurjchem-1949	169	8	2	2	NUM
eurjchem-1949	169	9	2	2	NUM
eurjchem-1949	169	10	0	0	NUM
eurjchem-1949	169	11	0/	0/	NUM
eurjchem-1949	169	12	/r	/r	PUNCT
eurjchem-1949	170	1	r′−	r′−	ADJ
eurjchem-1949	170	2	<	<	X
eurjchem-1949	170	3	0.3	0.3	NUM
eurjchem-1949	170	4	0.0152	0.0152	NUM
eurjchem-1949	170	5	17	17	NUM
eurjchem-1949	170	6	2	2	NUM
eurjchem-1949	170	7	2	2	NUM
eurjchem-1949	170	8	0	0	NUM
eurjchem-1949	170	9	2	2	NUM
eurjchem-1949	170	10	r	r	NOUN
eurjchem-1949	170	11	r	r	NOUN
eurjchem-1949	170	12	r	r	NOUN
eurjchem-1949	170	13	−	−	NOUN
eurjchem-1949	170	14	<	<	X
eurjchem-1949	170	15	0.1	0.1	NUM
eurjchem-1949	170	16	0.0021	0.0021	NUM
eurjchem-1949	170	17	18	18	NUM
eurjchem-1949	170	18	2	2	NUM
eurjchem-1949	170	19	2	2	NUM
eurjchem-1949	170	20	0	0	NUM
eurjchem-1949	170	21	2	2	NUM
eurjchem-1949	170	22	r	r	NOUN
eurjchem-1949	170	23	r	r	NOUN
eurjchem-1949	170	24	r	r	NOUN
eurjchem-1949	170	25	′−	′−	NOUN
eurjchem-1949	170	26	<	<	X
eurjchem-1949	170	27	0.1	0.1	NUM
eurjchem-1949	170	28	0.0543	0.0543	NUM
eurjchem-1949	170	29	19	19	NUM
eurjchem-1949	170	30	2	2	NUM
eurjchem-1949	170	31	testr	testr	NOUN
eurjchem-1949	170	32	(	(	PUNCT
eurjchem-1949	170	33	)	)	PUNCT
eurjchem-1949	170	34	(	(	PUNCT
eurjchem-1949	170	35	)	)	PUNCT
eurjchem-1949	170	36	2	2	NUM
eurjchem-1949	170	37	ext	ext	NOUN
eurjchem-1949	170	38	ext	ext	NOUN
eurjchem-1949	170	39	2	2	NUM
eurjchem-1949	170	40	ext	ext	NOUN
eurjchem-1949	170	41	y	y	PROPN
eurjchem-1949	170	42	y	y	PROPN
eurjchem-1949	170	43	1	1	NUM
eurjchem-1949	170	44	y	y	PROPN
eurjchem-1949	170	45	y	y	PROPN
eurjchem-1949	170	46	ˆ∑	ˆ∑	ADJ
eurjchem-1949	170	47	−	−	PROPN
eurjchem-1949	170	48	−	−	PROPN
eurjchem-1949	170	49	∑	∑	ADP
eurjchem-1949	170	50	−	−	PROPN
eurjchem-1949	170	51	2	2	NUM
eurjchem-1949	170	52	predr	predr	NOUN
eurjchem-1949	170	53	0.6	0.6	NUM
eurjchem-1949	170	54	>	>	NOUN
eurjchem-1949	170	55	0.7954	0.7954	NUM
eurjchem-1949	170	56	table	table	NOUN
eurjchem-1949	170	57	6	6	NUM
eurjchem-1949	170	58	.	.	PUNCT
eurjchem-1949	171	1	y	y	NOUN
eurjchem-1949	171	2	-	-	PUNCT
eurjchem-1949	171	3	randomization	randomization	NOUN
eurjchem-1949	171	4	parameters	parameter	NOUN
eurjchem-1949	171	5	test	test	VERB
eurjchem-1949	171	6	.	.	PUNCT
eurjchem-1949	172	1	model	model	NOUN
eurjchem-1949	172	2	r	r	PROPN
eurjchem-1949	172	3	r2	r2	PROPN
eurjchem-1949	172	4	q2	q2	PROPN
eurjchem-1949	172	5	original	original	ADJ
eurjchem-1949	172	6	0.8823	0.8823	NUM
eurjchem-1949	172	7	0.8234	0.8234	NUM
eurjchem-1949	172	8	0.8012	0.8012	NUM
eurjchem-1949	172	9	random	random	ADJ
eurjchem-1949	172	10	1	1	NUM
eurjchem-1949	172	11	0.5451	0.5451	NUM
eurjchem-1949	172	12	0.2647	0.2647	NUM
eurjchem-1949	172	13	-1.0792	-1.0792	NOUN
eurjchem-1949	172	14	random	random	ADJ
eurjchem-1949	172	15	2	2	NUM
eurjchem-1949	172	16	0.4764	0.4764	NUM
eurjchem-1949	172	17	0.2696	0.2696	NUM
eurjchem-1949	172	18	-0.2065	-0.2065	NOUN
eurjchem-1949	172	19	random	random	ADJ
eurjchem-1949	172	20	3	3	NUM
eurjchem-1949	172	21	0.8381	0.8381	NUM
eurjchem-1949	172	22	0.4868	0.4868	NUM
eurjchem-1949	172	23	0.0145	0.0145	NUM
eurjchem-1949	172	24	random	random	ADJ
eurjchem-1949	172	25	4	4	NUM
eurjchem-1949	172	26	0.5734	0.5734	NUM
eurjchem-1949	172	27	0.3321	0.3321	NUM
eurjchem-1949	172	28	-0.0964	-0.0964	NOUN
eurjchem-1949	173	1	random	random	ADJ
eurjchem-1949	173	2	5	5	NUM
eurjchem-1949	173	3	0.3525	0.3525	NUM
eurjchem-1949	173	4	0.1261	0.1261	NUM
eurjchem-1949	173	5	-0.8451	-0.8451	NOUN
eurjchem-1949	173	6	random	random	ADJ
eurjchem-1949	173	7	6	6	NUM
eurjchem-1949	173	8	0.6987	0.6987	NUM
eurjchem-1949	173	9	0.2545	0.2545	NUM
eurjchem-1949	173	10	0.0231	0.0231	NUM
eurjchem-1949	173	11	random	random	ADJ
eurjchem-1949	173	12	7	7	NUM
eurjchem-1949	173	13	0.4447	0.4447	NUM
eurjchem-1949	173	14	0.1635	0.1635	NUM
eurjchem-1949	173	15	-0.9035	-0.9035	NOUN
eurjchem-1949	173	16	random	random	ADJ
eurjchem-1949	173	17	8	8	NUM
eurjchem-1949	173	18	0.5351	0.5351	NUM
eurjchem-1949	173	19	0.2688	0.2688	NUM
eurjchem-1949	173	20	-0.6712	-0.6712	NOUN
eurjchem-1949	173	21	random	random	ADJ
eurjchem-1949	173	22	9	9	NUM
eurjchem-1949	173	23	0.4466	0.4466	NUM
eurjchem-1949	173	24	0.2656	0.2656	NUM
eurjchem-1949	173	25	-0.6872	-0.6872	NOUN
eurjchem-1949	173	26	random	random	ADJ
eurjchem-1949	173	27	10	10	NUM
eurjchem-1949	173	28	0.6956	0.6956	NUM
eurjchem-1949	173	29	0.3963	0.3963	NUM
eurjchem-1949	173	30	-0.0026	-0.0026	PUNCT
eurjchem-1949	173	31	random	random	ADJ
eurjchem-1949	173	32	models	model	NOUN
eurjchem-1949	173	33	parameters	parameter	NOUN
eurjchem-1949	173	34	average	average	ADJ
eurjchem-1949	173	35	r	r	NOUN
eurjchem-1949	173	36	0.4543	0.4543	NUM
eurjchem-1949	173	37	average	average	ADJ
eurjchem-1949	173	38	r2	r2	NOUN
eurjchem-1949	173	39	0.2841	0.2841	NUM
eurjchem-1949	173	40	average	average	ADJ
eurjchem-1949	173	41	q2	q2	NOUN
eurjchem-1949	173	42	-1.4322	-1.4322	PUNCT
eurjchem-1949	173	43	crp2	crp2	PROPN
eurjchem-1949	173	44	0.6832	0.6832	NUM
eurjchem-1949	173	45	2020	2020	NUM
eurjchem-1949	173	46	–	–	PUNCT
eurjchem-1949	173	47	european	european	ADJ
eurjchem-1949	173	48	journal	journal	NOUN
eurjchem-1949	173	49	of	of	ADP
eurjchem-1949	173	50	chemistry	chemistry	NOUN
eurjchem-1949	173	51	–	–	PUNCT
eurjchem-1949	173	52	cc	cc	NOUN
eurjchem-1949	173	53	by	by	ADP
eurjchem-1949	173	54	nc	nc	PROPN
eurjchem-1949	173	55	–	–	PUNCT
eurjchem-1949	173	56	doi	doi	NOUN
eurjchem-1949	173	57	:	:	PUNCT
eurjchem-1949	173	58	10.5155	10.5155	NUM
eurjchem-1949	173	59	/	/	SYM
eurjchem-1949	173	60	eurjchem.11.1.60	eurjchem.11.1.60	PROPN
eurjchem-1949	173	61	-	-	PUNCT
eurjchem-1949	173	62	67.1949	67.1949	NUM
eurjchem-1949	173	63	adeniji	adeniji	PROPN
eurjchem-1949	173	64	et	et	PROPN
eurjchem-1949	173	65	al	al	PROPN
eurjchem-1949	173	66	.	.	PUNCT
eurjchem-1949	173	67	/	/	SYM
eurjchem-1949	173	68	european	european	PROPN
eurjchem-1949	173	69	journal	journal	PROPN
eurjchem-1949	173	70	of	of	ADP
eurjchem-1949	173	71	chemistry	chemistry	NOUN
eurjchem-1949	173	72	11	11	NUM
eurjchem-1949	173	73	(	(	PUNCT
eurjchem-1949	173	74	1	1	NUM
eurjchem-1949	173	75	)	)	PUNCT
eurjchem-1949	173	76	(	(	PUNCT
eurjchem-1949	173	77	2020	2020	NUM
eurjchem-1949	173	78	)	)	PUNCT
eurjchem-1949	173	79	60	60	NUM
eurjchem-1949	173	80	-	-	SYM
eurjchem-1949	173	81	67	67	NUM
eurjchem-1949	173	82	65	65	NUM
eurjchem-1949	173	83	r²	r²	NOUN
eurjchem-1949	173	84	=	=	SYM
eurjchem-1949	174	1	0.8875	0.8875	NUM
eurjchem-1949	174	2	0	0	NUM
eurjchem-1949	174	3	2	2	NUM
eurjchem-1949	174	4	4	4	NUM
eurjchem-1949	174	5	6	6	NUM
eurjchem-1949	174	6	8	8	NUM
eurjchem-1949	174	7	10	10	NUM
eurjchem-1949	174	8	12	12	NUM
eurjchem-1949	174	9	14	14	NUM
eurjchem-1949	174	10	0	0	NUM
eurjchem-1949	174	11	2	2	NUM
eurjchem-1949	174	12	4	4	NUM
eurjchem-1949	174	13	6	6	NUM
eurjchem-1949	174	14	8	8	NUM
eurjchem-1949	174	15	10	10	NUM
eurjchem-1949	174	16	12	12	NUM
eurjchem-1949	174	17	14	14	NUM
eurjchem-1949	174	18	c	c	NOUN
eurjchem-1949	174	19	al	al	PROPN
eurjchem-1949	174	20	cu	cu	PROPN
eurjchem-1949	174	21	la	la	PROPN
eurjchem-1949	175	1	te	te	PROPN
eurjchem-1949	176	1	d	d	X
eurjchem-1949	176	2	ac	ac	PROPN
eurjchem-1949	177	1	tiv	tiv	PROPN
eurjchem-1949	177	2	ity	ity	PROPN
eurjchem-1949	177	3	observed	observe	VERB
eurjchem-1949	177	4	activity	activity	NOUN
eurjchem-1949	177	5	training	training	NOUN
eurjchem-1949	177	6	set	set	NOUN
eurjchem-1949	177	7	(	(	PUNCT
eurjchem-1949	177	8	a	a	X
eurjchem-1949	177	9	)	)	PUNCT
eurjchem-1949	177	10	r²	r²	NOUN
eurjchem-1949	177	11	=	=	PUNCT
eurjchem-1949	177	12	0.7961	0.7961	NUM
eurjchem-1949	177	13	0	0	NUM
eurjchem-1949	177	14	2	2	NUM
eurjchem-1949	177	15	4	4	NUM
eurjchem-1949	177	16	6	6	NUM
eurjchem-1949	177	17	8	8	NUM
eurjchem-1949	177	18	10	10	NUM
eurjchem-1949	177	19	12	12	NUM
eurjchem-1949	177	20	14	14	NUM
eurjchem-1949	177	21	0	0	NUM
eurjchem-1949	177	22	2	2	NUM
eurjchem-1949	177	23	4	4	NUM
eurjchem-1949	177	24	6	6	NUM
eurjchem-1949	177	25	8	8	NUM
eurjchem-1949	177	26	10	10	NUM
eurjchem-1949	177	27	12	12	NUM
eurjchem-1949	177	28	14	14	NUM
eurjchem-1949	177	29	c	c	NOUN
eurjchem-1949	177	30	al	al	PROPN
eurjchem-1949	177	31	cu	cu	PROPN
eurjchem-1949	177	32	la	la	PROPN
eurjchem-1949	178	1	te	te	PROPN
eurjchem-1949	179	1	d	d	PROPN
eurjchem-1949	179	2	ac	ac	PROPN
eurjchem-1949	179	3	tit	tit	PROPN
eurjchem-1949	179	4	vi	vi	PROPN
eurjchem-1949	179	5	ty	ty	INTJ
eurjchem-1949	179	6	observed	observe	VERB
eurjchem-1949	179	7	activity	activity	NOUN
eurjchem-1949	179	8	test	test	NOUN
eurjchem-1949	179	9	set	set	NOUN
eurjchem-1949	179	10	(	(	PUNCT
eurjchem-1949	179	11	b	b	NOUN
eurjchem-1949	179	12	)	)	PUNCT
eurjchem-1949	179	13	figure	figure	NOUN
eurjchem-1949	179	14	1	1	NUM
eurjchem-1949	179	15	.	.	PUNCT
eurjchem-1949	180	1	(	(	PUNCT
eurjchem-1949	180	2	a	a	X
eurjchem-1949	180	3	)	)	PUNCT
eurjchem-1949	180	4	the	the	DET
eurjchem-1949	180	5	plot	plot	NOUN
eurjchem-1949	180	6	of	of	ADP
eurjchem-1949	180	7	calculated	calculated	ADJ
eurjchem-1949	180	8	activity	activity	NOUN
eurjchem-1949	180	9	against	against	ADP
eurjchem-1949	180	10	observed	observed	ADJ
eurjchem-1949	180	11	activity	activity	NOUN
eurjchem-1949	180	12	of	of	ADP
eurjchem-1949	180	13	training	training	NOUN
eurjchem-1949	180	14	set	set	NOUN
eurjchem-1949	180	15	,	,	PUNCT
eurjchem-1949	180	16	(	(	PUNCT
eurjchem-1949	180	17	b	b	X
eurjchem-1949	180	18	)	)	PUNCT
eurjchem-1949	180	19	the	the	DET
eurjchem-1949	180	20	plot	plot	NOUN
eurjchem-1949	180	21	of	of	ADP
eurjchem-1949	180	22	calculated	calculated	ADJ
eurjchem-1949	180	23	activity	activity	NOUN
eurjchem-1949	180	24	against	against	ADP
eurjchem-1949	180	25	observed	observed	ADJ
eurjchem-1949	180	26	activity	activity	NOUN
eurjchem-1949	180	27	of	of	ADP
eurjchem-1949	180	28	test	test	NOUN
eurjchem-1949	180	29	set	set	VERB
eurjchem-1949	180	30	.	.	PUNCT
eurjchem-1949	181	1	-2.5	-2.5	ADJ
eurjchem-1949	181	2	-2.0	-2.0	ADJ
eurjchem-1949	181	3	-1.5	-1.5	ADJ
eurjchem-1949	181	4	-1.0	-1.0	PROPN
eurjchem-1949	182	1	-0.5	-0.5	PROPN
eurjchem-1949	182	2	0.0	0.0	NUM
eurjchem-1949	182	3	0.5	0.5	NUM
eurjchem-1949	182	4	1.0	1.0	NUM
eurjchem-1949	182	5	1.5	1.5	NUM
eurjchem-1949	182	6	2.0	2.0	NUM
eurjchem-1949	182	7	2.5	2.5	NUM
eurjchem-1949	182	8	0	0	NUM
eurjchem-1949	182	9	2	2	NUM
eurjchem-1949	182	10	4	4	NUM
eurjchem-1949	182	11	6	6	NUM
eurjchem-1949	182	12	8	8	NUM
eurjchem-1949	182	13	10	10	NUM
eurjchem-1949	182	14	12	12	NUM
eurjchem-1949	182	15	st	st	PROPN
eurjchem-1949	182	16	an	an	DET
eurjchem-1949	182	17	da	da	PROPN
eurjchem-1949	182	18	rd	rd	PROPN
eurjchem-1949	182	19	iz	iz	INTJ
eurjchem-1949	182	20	ed	ed	PROPN
eurjchem-1949	182	21	re	re	VERB
eurjchem-1949	182	22	si	si	PROPN
eurjchem-1949	182	23	du	du	PROPN
eurjchem-1949	182	24	al	al	PROPN
eurjchem-1949	182	25	observed	observe	VERB
eurjchem-1949	182	26	activity	activity	NOUN
eurjchem-1949	182	27	train	train	NOUN
eurjchem-1949	182	28	test	test	NOUN
eurjchem-1949	182	29	figure	figure	NOUN
eurjchem-1949	182	30	2	2	NUM
eurjchem-1949	182	31	.	.	PUNCT
eurjchem-1949	182	32	plot	plot	NOUN
eurjchem-1949	182	33	of	of	ADP
eurjchem-1949	182	34	standardized	standardized	ADJ
eurjchem-1949	182	35	residual	residual	ADJ
eurjchem-1949	182	36	activity	activity	NOUN
eurjchem-1949	182	37	versus	versus	ADP
eurjchem-1949	182	38	observed	observed	ADJ
eurjchem-1949	182	39	activity	activity	NOUN
eurjchem-1949	182	40	.	.	PUNCT
eurjchem-1949	183	1	-3	-3	PUNCT
eurjchem-1949	184	1	-2	-2	INTJ
eurjchem-1949	184	2	-1	-1	SYM
eurjchem-1949	184	3	0	0	NUM
eurjchem-1949	184	4	1	1	NUM
eurjchem-1949	184	5	2	2	NUM
eurjchem-1949	184	6	3	3	NUM
eurjchem-1949	184	7	0.0	0.0	NUM
eurjchem-1949	184	8	0.2	0.2	NUM
eurjchem-1949	184	9	0.4	0.4	NUM
eurjchem-1949	184	10	0.6	0.6	NUM
eurjchem-1949	184	11	0.8	0.8	NUM
eurjchem-1949	184	12	1.0	1.0	NUM
eurjchem-1949	184	13	st	st	PROPN
eurjchem-1949	184	14	an	an	DET
eurjchem-1949	184	15	da	da	PROPN
eurjchem-1949	184	16	rd	rd	PROPN
eurjchem-1949	184	17	re	re	NOUN
eurjchem-1949	184	18	si	si	PROPN
eurjchem-1949	184	19	du	du	PROPN
eurjchem-1949	184	20	al	al	PROPN
eurjchem-1949	184	21	levarage	levarage	NOUN
eurjchem-1949	184	22	train	train	NOUN
eurjchem-1949	184	23	test	test	NOUN
eurjchem-1949	184	24	figure	figure	NOUN
eurjchem-1949	184	25	3	3	NUM
eurjchem-1949	184	26	.	.	PUNCT
eurjchem-1949	185	1	the	the	DET
eurjchem-1949	185	2	williams	williams	PROPN
eurjchem-1949	185	3	plot	plot	NOUN
eurjchem-1949	185	4	of	of	ADP
eurjchem-1949	185	5	the	the	DET
eurjchem-1949	185	6	standardized	standardized	ADJ
eurjchem-1949	185	7	residuals	residual	NOUN
eurjchem-1949	185	8	versus	versus	ADP
eurjchem-1949	185	9	the	the	DET
eurjchem-1949	185	10	leverage	leverage	NOUN
eurjchem-1949	185	11	value	value	NOUN
eurjchem-1949	185	12	.	.	PUNCT
eurjchem-1949	186	1	the	the	DET
eurjchem-1949	186	2	docking	docking	NOUN
eurjchem-1949	186	3	results	result	NOUN
eurjchem-1949	186	4	clearly	clearly	ADV
eurjchem-1949	186	5	show	show	VERB
eurjchem-1949	186	6	that	that	SCONJ
eurjchem-1949	186	7	the	the	DET
eurjchem-1949	186	8	binding	bind	VERB
eurjchem-1949	186	9	score	score	NOUN
eurjchem-1949	186	10	for	for	ADP
eurjchem-1949	186	11	the	the	DET
eurjchem-1949	186	12	optimum	optimum	ADJ
eurjchem-1949	186	13	compound	compound	NOUN
eurjchem-1949	186	14	number	number	NOUN
eurjchem-1949	186	15	13	13	NUM
eurjchem-1949	186	16	correlates	correlate	VERB
eurjchem-1949	186	17	with	with	ADP
eurjchem-1949	186	18	its	its	PRON
eurjchem-1949	186	19	activity	activity	NOUN
eurjchem-1949	186	20	value	value	NOUN
eurjchem-1949	186	21	.	.	PUNCT
eurjchem-1949	187	1	for	for	ADP
eurjchem-1949	187	2	target	target	NOUN
eurjchem-1949	187	3	enzyme	enzyme	NOUN
eurjchem-1949	187	4	,	,	PUNCT
eurjchem-1949	187	5	binding	bind	VERB
eurjchem-1949	187	6	score	score	NOUN
eurjchem-1949	187	7	was	be	AUX
eurjchem-1949	187	8	found	find	VERB
eurjchem-1949	187	9	to	to	PART
eurjchem-1949	187	10	be	be	AUX
eurjchem-1949	187	11	-18.8	-18.8	PROPN
eurjchem-1949	187	12	kcal	kcal	PROPN
eurjchem-1949	187	13	/	/	SYM
eurjchem-1949	187	14	mol	mol	PROPN
eurjchem-1949	187	15	as	as	SCONJ
eurjchem-1949	187	16	reported	report	VERB
eurjchem-1949	187	17	in	in	ADP
eurjchem-1949	187	18	table	table	NOUN
eurjchem-1949	187	19	7	7	NUM
eurjchem-1949	187	20	.	.	PUNCT
eurjchem-1949	188	1	the	the	DET
eurjchem-1949	188	2	binding	bind	VERB
eurjchem-1949	188	3	score	score	NOUN
eurjchem-1949	188	4	of	of	ADP
eurjchem-1949	188	5	recommended	recommend	VERB
eurjchem-1949	188	6	drugs	drug	NOUN
eurjchem-1949	188	7	;	;	PUNCT
eurjchem-1949	188	8	isoniazid	isoniazid	NOUN
eurjchem-1949	188	9	(	(	PUNCT
eurjchem-1949	188	10	-14.6	-14.6	NUM
eurjchem-1949	188	11	kcal	kcal	PROPN
eurjchem-1949	188	12	/	/	SYM
eurjchem-1949	188	13	mol	mol	NOUN
eurjchem-1949	188	14	)	)	PUNCT
eurjchem-1949	188	15	was	be	AUX
eurjchem-1949	188	16	found	find	VERB
eurjchem-1949	188	17	to	to	PART
eurjchem-1949	188	18	be	be	AUX
eurjchem-1949	188	19	lesser	less	ADJ
eurjchem-1949	188	20	than	than	ADP
eurjchem-1949	188	21	the	the	DET
eurjchem-1949	188	22	binding	bind	VERB
eurjchem-1949	188	23	score	score	NOUN
eurjchem-1949	188	24	of	of	ADP
eurjchem-1949	188	25	the	the	DET
eurjchem-1949	188	26	compound	compound	NOUN
eurjchem-1949	188	27	13	13	NUM
eurjchem-1949	188	28	.	.	PUNCT
eurjchem-1949	189	1	this	this	PRON
eurjchem-1949	189	2	indicate	indicate	VERB
eurjchem-1949	189	3	that	that	SCONJ
eurjchem-1949	189	4	this	this	DET
eurjchem-1949	189	5	compounds	compound	NOUN
eurjchem-1949	189	6	could	could	AUX
eurjchem-1949	189	7	serve	serve	VERB
eurjchem-1949	189	8	as	as	ADP
eurjchem-1949	189	9	better	well	ADJ
eurjchem-1949	189	10	antitubercular	antitubercular	ADJ
eurjchem-1949	189	11	drug	drug	NOUN
eurjchem-1949	189	12	and	and	CCONJ
eurjchem-1949	189	13	can	can	AUX
eurjchem-1949	189	14	be	be	AUX
eurjchem-1949	189	15	improve	improve	VERB
eurjchem-1949	189	16	by	by	ADP
eurjchem-1949	189	17	structure	structure	NOUN
eurjchem-1949	189	18	base	base	NOUN
eurjchem-1949	189	19	design	design	NOUN
eurjchem-1949	189	20	.	.	PUNCT
eurjchem-1949	190	1	3.4.2	3.4.2	X
eurjchem-1949	190	2	.	.	PUNCT
eurjchem-1949	191	1	determination	determination	NOUN
eurjchem-1949	191	2	of	of	ADP
eurjchem-1949	191	3	bond	bond	NOUN
eurjchem-1949	191	4	type	type	NOUN
eurjchem-1949	191	5	and	and	CCONJ
eurjchem-1949	191	6	bond	bond	NOUN
eurjchem-1949	191	7	length	length	NOUN
eurjchem-1949	191	8	discovery	discovery	PROPN
eurjchem-1949	191	9	studio	studio	NOUN
eurjchem-1949	191	10	visualizer	visualizer	NOUN
eurjchem-1949	191	11	software	software	NOUN
eurjchem-1949	191	12	was	be	AUX
eurjchem-1949	191	13	used	use	VERB
eurjchem-1949	191	14	to	to	PART
eurjchem-1949	191	15	show	show	VERB
eurjchem-1949	191	16	the	the	DET
eurjchem-1949	191	17	bond	bond	NOUN
eurjchem-1949	191	18	length	length	NOUN
eurjchem-1949	191	19	and	and	CCONJ
eurjchem-1949	191	20	type	type	NOUN
eurjchem-1949	191	21	of	of	ADP
eurjchem-1949	191	22	interaction	interaction	NOUN
eurjchem-1949	191	23	(	(	PUNCT
eurjchem-1949	191	24	bond	bond	NOUN
eurjchem-1949	191	25	)	)	PUNCT
eurjchem-1949	191	26	that	that	PRON
eurjchem-1949	191	27	exist	exist	VERB
eurjchem-1949	191	28	between	between	ADP
eurjchem-1949	191	29	the	the	DET
eurjchem-1949	191	30	optimum	optimum	ADJ
eurjchem-1949	191	31	compound	compound	NOUN
eurjchem-1949	191	32	and	and	CCONJ
eurjchem-1949	191	33	the	the	DET
eurjchem-1949	191	34	target	target	NOUN
eurjchem-1949	191	35	site	site	NOUN
eurjchem-1949	191	36	.	.	PUNCT
eurjchem-1949	192	1	2020	2020	NUM
eurjchem-1949	192	2	–	–	PUNCT
eurjchem-1949	192	3	european	european	ADJ
eurjchem-1949	192	4	journal	journal	NOUN
eurjchem-1949	192	5	of	of	ADP
eurjchem-1949	192	6	chemistry	chemistry	NOUN
eurjchem-1949	192	7	–	–	PUNCT
eurjchem-1949	192	8	cc	cc	NOUN
eurjchem-1949	192	9	by	by	ADP
eurjchem-1949	192	10	nc	nc	PROPN
eurjchem-1949	192	11	–	–	PUNCT
eurjchem-1949	192	12	doi	doi	NOUN
eurjchem-1949	192	13	:	:	PUNCT
eurjchem-1949	192	14	10.5155	10.5155	NUM
eurjchem-1949	192	15	/	/	SYM
eurjchem-1949	192	16	eurjchem.11.1.60	eurjchem.11.1.60	PROPN
eurjchem-1949	192	17	-	-	PUNCT
eurjchem-1949	192	18	67.1949	67.1949	NUM
eurjchem-1949	192	19	66	66	NUM
eurjchem-1949	192	20	adeniji	adeniji	PROPN
eurjchem-1949	192	21	et	et	PROPN
eurjchem-1949	192	22	al	al	PROPN
eurjchem-1949	192	23	.	.	PUNCT
eurjchem-1949	192	24	/	/	SYM
eurjchem-1949	192	25	european	european	PROPN
eurjchem-1949	192	26	journal	journal	PROPN
eurjchem-1949	192	27	of	of	ADP
eurjchem-1949	192	28	chemistry	chemistry	NOUN
eurjchem-1949	192	29	11	11	NUM
eurjchem-1949	192	30	(	(	PUNCT
eurjchem-1949	192	31	1	1	NUM
eurjchem-1949	192	32	)	)	PUNCT
eurjchem-1949	192	33	(	(	PUNCT
eurjchem-1949	192	34	2020	2020	NUM
eurjchem-1949	192	35	)	)	PUNCT
eurjchem-1949	192	36	60	60	NUM
eurjchem-1949	192	37	-	-	SYM
eurjchem-1949	192	38	67	67	NUM
eurjchem-1949	192	39	table	table	NOUN
eurjchem-1949	192	40	7	7	NUM
eurjchem-1949	192	41	.	.	PUNCT
eurjchem-1949	192	42	binding	bind	VERB
eurjchem-1949	192	43	score	score	NOUN
eurjchem-1949	192	44	,	,	PUNCT
eurjchem-1949	192	45	hydrogen	hydrogen	NOUN
eurjchem-1949	192	46	bond	bond	NOUN
eurjchem-1949	192	47	and	and	CCONJ
eurjchem-1949	192	48	hydrophobic	hydrophobic	NOUN
eurjchem-1949	192	49	interaction	interaction	NOUN
eurjchem-1949	192	50	of	of	ADP
eurjchem-1949	192	51	the	the	DET
eurjchem-1949	192	52	optimum	optimum	ADJ
eurjchem-1949	192	53	ligands	ligand	NOUN
eurjchem-1949	192	54	with	with	ADP
eurjchem-1949	192	55	m.	m.	NOUN
eurjchem-1949	192	56	tuberculosis	tuberculosis	NOUN
eurjchem-1949	192	57	target	target	NOUN
eurjchem-1949	192	58	(	(	PUNCT
eurjchem-1949	192	59	dna	dna	NOUN
eurjchem-1949	192	60	gyrase	gyrase	NOUN
eurjchem-1949	192	61	)	)	PUNCT
eurjchem-1949	192	62	.	.	PUNCT
eurjchem-1949	193	1	ligand	ligand	NOUN
eurjchem-1949	193	2	binding	bind	VERB
eurjchem-1949	193	3	score	score	NOUN
eurjchem-1949	193	4	(	(	PUNCT
eurjchem-1949	193	5	ba	ba	NOUN
eurjchem-1949	193	6	)	)	PUNCT
eurjchem-1949	193	7	kcal	kcal	NOUN
eurjchem-1949	193	8	/	/	SYM
eurjchem-1949	193	9	mol	mol	ADP
eurjchem-1949	193	10	target	target	NOUN
eurjchem-1949	193	11	hydrogen	hydrogen	NOUN
eurjchem-1949	193	12	bond	bond	NOUN
eurjchem-1949	193	13	hydrophobic	hydrophobic	NOUN
eurjchem-1949	193	14	interaction	interaction	NOUN
eurjchem-1949	193	15	amino	amino	NOUN
eurjchem-1949	193	16	acid	acid	NOUN
eurjchem-1949	193	17	bond	bond	NOUN
eurjchem-1949	193	18	length	length	NOUN
eurjchem-1949	193	19	(	(	PUNCT
eurjchem-1949	193	20	å	å	NOUN
eurjchem-1949	193	21	)	)	PUNCT
eurjchem-1949	193	22	amino	amino	NOUN
eurjchem-1949	193	23	acid	acid	NOUN
eurjchem-1949	193	24	13	13	NUM
eurjchem-1949	193	25	-18.8	-18.8	PROPN
eurjchem-1949	193	26	dna	dna	PROPN
eurjchem-1949	193	27	gyrase	gyrase	NOUN
eurjchem-1949	193	28	arg98	arg98	ADJ
eurjchem-1949	193	29	ser118	ser118	VERB
eurjchem-1949	193	30	gly120	gly120	ADJ
eurjchem-1949	193	31	gly120	gly120	PROPN
eurjchem-1949	193	32	3.3701	3.3701	NUM
eurjchem-1949	193	33	2.8704	2.8704	NUM
eurjchem-1949	193	34	1.9128	1.9128	NUM
eurjchem-1949	193	35	3.2821	3.2821	NUM
eurjchem-1949	193	36	val97	val97	NOUN
eurjchem-1949	193	37	,	,	PUNCT
eurjchem-1949	193	38	pro124	pro124	PROPN
eurjchem-1949	193	39	,	,	PUNCT
eurjchem-1949	193	40	val97	val97	PROPN
eurjchem-1949	193	41	,	,	PUNCT
eurjchem-1949	193	42	asp94	asp94	PROPN
eurjchem-1949	193	43	,	,	PUNCT
eurjchem-1949	193	44	asp122	asp122	PROPN
eurjchem-1949	193	45	,	,	PUNCT
eurjchem-1949	193	46	pro123	pro123	PROPN
eurjchem-1949	193	47	(	(	PUNCT
eurjchem-1949	193	48	a	a	NOUN
eurjchem-1949	193	49	)	)	PUNCT
eurjchem-1949	193	50	(	(	PUNCT
eurjchem-1949	193	51	b	b	X
eurjchem-1949	193	52	)	)	PUNCT
eurjchem-1949	193	53	figure	figure	NOUN
eurjchem-1949	193	54	4	4	NUM
eurjchem-1949	193	55	.	.	PUNCT
eurjchem-1949	194	1	(	(	PUNCT
eurjchem-1949	194	2	a	a	X
eurjchem-1949	194	3	)	)	PUNCT
eurjchem-1949	194	4	the	the	DET
eurjchem-1949	194	5	2d	2d	NOUN
eurjchem-1949	194	6	interactions	interaction	NOUN
eurjchem-1949	194	7	between	between	ADP
eurjchem-1949	194	8	dna	dna	PROPN
eurjchem-1949	194	9	gyrase	gyrase	NOUN
eurjchem-1949	194	10	and	and	CCONJ
eurjchem-1949	194	11	ligand	ligand	NOUN
eurjchem-1949	194	12	13	13	NUM
eurjchem-1949	194	13	of	of	ADP
eurjchem-1949	194	14	2,4	2,4	NUM
eurjchem-1949	194	15	-	-	PUNCT
eurjchem-1949	194	16	diquiloline	diquiloline	ADJ
eurjchem-1949	194	17	derivatives	derivative	NOUN
eurjchem-1949	194	18	,	,	PUNCT
eurjchem-1949	194	19	(	(	PUNCT
eurjchem-1949	194	20	b	b	X
eurjchem-1949	194	21	)	)	PUNCT
eurjchem-1949	194	22	the	the	DET
eurjchem-1949	194	23	2d	2d	NOUN
eurjchem-1949	194	24	interactions	interaction	NOUN
eurjchem-1949	194	25	between	between	ADP
eurjchem-1949	194	26	dna	dna	PROPN
eurjchem-1949	194	27	gyrase	gyrase	NOUN
eurjchem-1949	194	28	and	and	CCONJ
eurjchem-1949	194	29	isoniazid	isoniazid	NOUN
eurjchem-1949	194	30	.	.	PUNCT
eurjchem-1949	195	1	figure	figure	NOUN
eurjchem-1949	195	2	5	5	NUM
eurjchem-1949	195	3	.	.	PUNCT
eurjchem-1949	196	1	h	h	NOUN
eurjchem-1949	196	2	-	-	PUNCT
eurjchem-1949	196	3	bond	bond	NOUN
eurjchem-1949	196	4	interaction	interaction	NOUN
eurjchem-1949	196	5	between	between	ADP
eurjchem-1949	196	6	the	the	DET
eurjchem-1949	196	7	ligand	ligand	NOUN
eurjchem-1949	196	8	13	13	NUM
eurjchem-1949	196	9	of	of	ADP
eurjchem-1949	196	10	2,4	2,4	NUM
eurjchem-1949	196	11	-	-	PUNCT
eurjchem-1949	196	12	disubstituted	disubstitute	VERB
eurjchem-1949	196	13	quinoline	quinoline	NOUN
eurjchem-1949	196	14	derivatives	derivative	NOUN
eurjchem-1949	196	15	and	and	CCONJ
eurjchem-1949	196	16	m.	m.	NOUN
eurjchem-1949	196	17	tuberculosis	tuberculosis	NOUN
eurjchem-1949	196	18	target	target	NOUN
eurjchem-1949	196	19	(	(	PUNCT
eurjchem-1949	196	20	dna	dna	NOUN
eurjchem-1949	196	21	gyrase	gyrase	NOUN
eurjchem-1949	196	22	)	)	PUNCT
eurjchem-1949	196	23	.	.	PUNCT
eurjchem-1949	197	1	the	the	DET
eurjchem-1949	197	2	3d	3d	NOUN
eurjchem-1949	197	3	and	and	CCONJ
eurjchem-1949	197	4	2d	2d	NUM
eurjchem-1949	197	5	interaction	interaction	NOUN
eurjchem-1949	197	6	of	of	ADP
eurjchem-1949	197	7	ligand	ligand	ADJ
eurjchem-1949	197	8	13	13	NUM
eurjchem-1949	197	9	was	be	AUX
eurjchem-1949	197	10	shown	show	VERB
eurjchem-1949	197	11	in	in	ADP
eurjchem-1949	197	12	figure	figure	NOUN
eurjchem-1949	197	13	4	4	NUM
eurjchem-1949	197	14	.	.	PUNCT
eurjchem-1949	197	15	ligand	ligand	PROPN
eurjchem-1949	197	16	13	13	NUM
eurjchem-1949	197	17	formed	form	VERB
eurjchem-1949	197	18	four	four	NUM
eurjchem-1949	197	19	hydrogen	hydrogen	NOUN
eurjchem-1949	197	20	bonds	bond	NOUN
eurjchem-1949	197	21	(	(	PUNCT
eurjchem-1949	197	22	3.3701	3.3701	NUM
eurjchem-1949	197	23	,	,	PUNCT
eurjchem-1949	197	24	2.8704	2.8704	NUM
eurjchem-1949	197	25	,	,	PUNCT
eurjchem-1949	197	26	1.9128	1.9128	NUM
eurjchem-1949	197	27	and	and	CCONJ
eurjchem-1949	197	28	3.2821	3.2821	NUM
eurjchem-1949	197	29	å	å	NOUN
eurjchem-1949	197	30	)	)	PUNCT
eurjchem-1949	197	31	with	with	ADP
eurjchem-1949	197	32	arg98	arg98	ADJ
eurjchem-1949	197	33	,	,	PUNCT
eurjchem-1949	197	34	ser118	ser118	PROPN
eurjchem-1949	197	35	,	,	PUNCT
eurjchem-1949	197	36	gly120	gly120	PROPN
eurjchem-1949	197	37	and	and	CCONJ
eurjchem-1949	197	38	gly120	gly120	PROPN
eurjchem-1949	197	39	of	of	ADP
eurjchem-1949	197	40	the	the	DET
eurjchem-1949	197	41	target	target	NOUN
eurjchem-1949	197	42	while	while	SCONJ
eurjchem-1949	197	43	hydrophobic	hydrophobic	NOUN
eurjchem-1949	197	44	interactions	interaction	NOUN
eurjchem-1949	197	45	were	be	AUX
eurjchem-1949	197	46	observed	observe	VERB
eurjchem-1949	197	47	with	with	ADP
eurjchem-1949	197	48	val97	val97	PROPN
eurjchem-1949	197	49	,	,	PUNCT
eurjchem-1949	197	50	pro124	pro124	PROPN
eurjchem-1949	197	51	,	,	PUNCT
eurjchem-1949	197	52	val97	val97	PROPN
eurjchem-1949	197	53	,	,	PUNCT
eurjchem-1949	197	54	asp94	asp94	PROPN
eurjchem-1949	197	55	,	,	PUNCT
eurjchem-1949	197	56	asp122	asp122	PROPN
eurjchem-1949	197	57	and	and	CCONJ
eurjchem-1949	197	58	pro123	pro123	NOUN
eurjchem-1949	197	59	of	of	ADP
eurjchem-1949	197	60	the	the	DET
eurjchem-1949	197	61	target	target	NOUN
eurjchem-1949	197	62	site	site	NOUN
eurjchem-1949	197	63	.	.	PUNCT
eurjchem-1949	198	1	ligand	ligand	PROPN
eurjchem-1949	198	2	13	13	NUM
eurjchem-1949	198	3	formed	form	VERB
eurjchem-1949	198	4	a	a	DET
eurjchem-1949	198	5	total	total	NOUN
eurjchem-1949	198	6	of	of	ADP
eurjchem-1949	198	7	four	four	NUM
eurjchem-1949	198	8	hydrogen	hydrogen	NOUN
eurjchem-1949	198	9	bonds	bond	NOUN
eurjchem-1949	198	10	with	with	ADP
eurjchem-1949	198	11	target	target	NOUN
eurjchem-1949	198	12	site	site	NOUN
eurjchem-1949	198	13	of	of	ADP
eurjchem-1949	198	14	dna	dna	PROPN
eurjchem-1949	198	15	gyrase	gyrase	NOUN
eurjchem-1949	198	16	.	.	PUNCT
eurjchem-1949	199	1	the	the	DET
eurjchem-1949	199	2	c	c	PROPN
eurjchem-1949	199	3	=	=	NOUN
eurjchem-1949	199	4	o	o	NOUN
eurjchem-1949	199	5	of	of	ADP
eurjchem-1949	199	6	the	the	DET
eurjchem-1949	199	7	ligand	ligand	NOUN
eurjchem-1949	199	8	acts	act	VERB
eurjchem-1949	199	9	as	as	ADP
eurjchem-1949	199	10	hydrogen	hydrogen	NOUN
eurjchem-1949	199	11	acceptor	acceptor	NOUN
eurjchem-1949	199	12	and	and	CCONJ
eurjchem-1949	199	13	formed	form	VERB
eurjchem-1949	199	14	one	one	NUM
eurjchem-1949	199	15	hydrogen	hydrogen	NOUN
eurjchem-1949	199	16	bond	bond	NOUN
eurjchem-1949	199	17	with	with	ADP
eurjchem-1949	199	18	arg98	arg98	PROPN
eurjchem-1949	199	19	of	of	ADP
eurjchem-1949	199	20	the	the	DET
eurjchem-1949	199	21	target	target	NOUN
eurjchem-1949	199	22	.	.	PUNCT
eurjchem-1949	200	1	the	the	DET
eurjchem-1949	200	2	n	n	CCONJ
eurjchem-1949	200	3	-	-	PUNCT
eurjchem-1949	200	4	h	h	PROPN
eurjchem-1949	200	5	group	group	NOUN
eurjchem-1949	200	6	(	(	PUNCT
eurjchem-1949	200	7	hydropyridine	hydropyridine	PROPN
eurjchem-1949	200	8	)	)	PUNCT
eurjchem-1949	200	9	of	of	ADP
eurjchem-1949	200	10	the	the	DET
eurjchem-1949	200	11	ligand	ligand	NOUN
eurjchem-1949	200	12	acts	act	VERB
eurjchem-1949	200	13	as	as	ADP
eurjchem-1949	200	14	hydrogen	hydrogen	NOUN
eurjchem-1949	200	15	donor	donor	NOUN
eurjchem-1949	200	16	and	and	CCONJ
eurjchem-1949	200	17	formed	form	VERB
eurjchem-1949	200	18	two	two	NUM
eurjchem-1949	200	19	hydrogen	hydrogen	NOUN
eurjchem-1949	200	20	bonds	bond	NOUN
eurjchem-1949	200	21	with	with	ADP
eurjchem-1949	200	22	gly120	gly120	PROPN
eurjchem-1949	200	23	of	of	ADP
eurjchem-1949	200	24	the	the	DET
eurjchem-1949	200	25	target	target	NOUN
eurjchem-1949	200	26	.	.	PUNCT
eurjchem-1949	201	1	the	the	DET
eurjchem-1949	201	2	n	n	CCONJ
eurjchem-1949	201	3	-	-	PUNCT
eurjchem-1949	201	4	h	h	PROPN
eurjchem-1949	201	5	group	group	NOUN
eurjchem-1949	201	6	(	(	PUNCT
eurjchem-1949	201	7	hydrazine	hydrazine	NOUN
eurjchem-1949	201	8	)	)	PUNCT
eurjchem-1949	201	9	of	of	ADP
eurjchem-1949	201	10	the	the	DET
eurjchem-1949	201	11	ligand	ligand	NOUN
eurjchem-1949	201	12	also	also	ADV
eurjchem-1949	201	13	acts	act	VERB
eurjchem-1949	201	14	as	as	ADP
eurjchem-1949	201	15	hydrogen	hydrogen	NOUN
eurjchem-1949	201	16	donor	donor	NOUN
eurjchem-1949	201	17	and	and	CCONJ
eurjchem-1949	201	18	formed	form	VERB
eurjchem-1949	201	19	a	a	DET
eurjchem-1949	201	20	hydrogen	hydrogen	NOUN
eurjchem-1949	201	21	bond	bond	NOUN
eurjchem-1949	201	22	with	with	ADP
eurjchem-1949	201	23	ser118	ser118	PROPN
eurjchem-1949	201	24	of	of	ADP
eurjchem-1949	201	25	the	the	DET
eurjchem-1949	201	26	target	target	NOUN
eurjchem-1949	201	27	site	site	NOUN
eurjchem-1949	201	28	.	.	PUNCT
eurjchem-1949	202	1	the	the	DET
eurjchem-1949	202	2	hydrogen	hydrogen	NOUN
eurjchem-1949	202	3	bond	bond	NOUN
eurjchem-1949	202	4	formations	formation	NOUN
eurjchem-1949	202	5	alongside	alongside	ADV
eurjchem-1949	202	6	with	with	ADP
eurjchem-1949	202	7	the	the	DET
eurjchem-1949	202	8	hydrophobic	hydrophobic	NOUN
eurjchem-1949	202	9	interaction	interaction	NOUN
eurjchem-1949	202	10	provide	provide	VERB
eurjchem-1949	202	11	evidence	evidence	NOUN
eurjchem-1949	202	12	that	that	PRON
eurjchem-1949	202	13	ligand	ligand	VERB
eurjchem-1949	202	14	13	13	NUM
eurjchem-1949	202	15	of	of	ADP
eurjchem-1949	202	16	2,4	2,4	NUM
eurjchem-1949	202	17	-	-	PUNCT
eurjchem-1949	202	18	disubstituted	disubstitute	VERB
eurjchem-1949	202	19	quinolone	quinolone	NOUN
eurjchem-1949	202	20	derivatives	derivative	NOUN
eurjchem-1949	202	21	is	be	AUX
eurjchem-1949	202	22	a	a	DET
eurjchem-1949	202	23	potent	potent	ADJ
eurjchem-1949	202	24	inhibitors	inhibitor	NOUN
eurjchem-1949	202	25	against	against	ADP
eurjchem-1949	202	26	dna	dna	PROPN
eurjchem-1949	202	27	gyrase	gyrase	NOUN
eurjchem-1949	202	28	receptor	receptor	NOUN
eurjchem-1949	202	29	.	.	PUNCT
eurjchem-1949	203	1	elucidations	elucidation	NOUN
eurjchem-1949	203	2	of	of	ADP
eurjchem-1949	203	3	hydrogen	hydrogen	NOUN
eurjchem-1949	203	4	donor	donor	NOUN
eurjchem-1949	203	5	and	and	CCONJ
eurjchem-1949	203	6	hydrogen	hydrogen	NOUN
eurjchem-1949	203	7	acceptor	acceptor	NOUN
eurjchem-1949	203	8	region	region	NOUN
eurjchem-1949	203	9	were	be	AUX
eurjchem-1949	203	10	shown	show	VERB
eurjchem-1949	203	11	in	in	ADP
eurjchem-1949	203	12	figure	figure	NOUN
eurjchem-1949	203	13	5	5	NUM
eurjchem-1949	203	14	.	.	PUNCT
eurjchem-1949	204	1	3.4.3	3.4.3	X
eurjchem-1949	204	2	.	.	PUNCT
eurjchem-1949	205	1	determination	determination	NOUN
eurjchem-1949	205	2	of	of	ADP
eurjchem-1949	205	3	bond	bond	NOUN
eurjchem-1949	205	4	type	type	NOUN
eurjchem-1949	205	5	and	and	CCONJ
eurjchem-1949	205	6	bond	bond	NOUN
eurjchem-1949	205	7	length	length	NOUN
eurjchem-1949	205	8	between	between	ADP
eurjchem-1949	205	9	recommended	recommend	VERB
eurjchem-1949	205	10	anti	anti	ADJ
eurjchem-1949	205	11	-	-	ADJ
eurjchem-1949	205	12	tubercular	tubercular	ADJ
eurjchem-1949	205	13	drug	drug	NOUN
eurjchem-1949	205	14	(	(	PUNCT
eurjchem-1949	205	15	isoniazid	isoniazid	NOUN
eurjchem-1949	205	16	)	)	PUNCT
eurjchem-1949	205	17	and	and	CCONJ
eurjchem-1949	205	18	dna	dna	PROPN
eurjchem-1949	205	19	gyrase	gyrase	VERB
eurjchem-1949	205	20	the	the	DET
eurjchem-1949	205	21	2d	2d	NOUN
eurjchem-1949	205	22	interaction	interaction	NOUN
eurjchem-1949	205	23	of	of	ADP
eurjchem-1949	205	24	the	the	DET
eurjchem-1949	205	25	recommended	recommend	VERB
eurjchem-1949	205	26	anti	anti	ADJ
eurjchem-1949	205	27	-	-	ADJ
eurjchem-1949	205	28	tubercular	tubercular	ADJ
eurjchem-1949	205	29	drugs	drug	NOUN
eurjchem-1949	205	30	(	(	PUNCT
eurjchem-1949	205	31	isoniazid	isoniazid	NOUN
eurjchem-1949	205	32	)	)	PUNCT
eurjchem-1949	205	33	with	with	ADP
eurjchem-1949	205	34	the	the	DET
eurjchem-1949	205	35	dna	dna	PROPN
eurjchem-1949	205	36	gyrase	gyrase	NOUN
eurjchem-1949	205	37	target	target	NOUN
eurjchem-1949	205	38	site	site	NOUN
eurjchem-1949	205	39	were	be	AUX
eurjchem-1949	205	40	in	in	ADP
eurjchem-1949	205	41	2020	2020	NUM
eurjchem-1949	205	42	–	–	PUNCT
eurjchem-1949	205	43	european	european	ADJ
eurjchem-1949	205	44	journal	journal	NOUN
eurjchem-1949	205	45	of	of	ADP
eurjchem-1949	205	46	chemistry	chemistry	NOUN
eurjchem-1949	205	47	–	–	PUNCT
eurjchem-1949	205	48	cc	cc	NOUN
eurjchem-1949	205	49	by	by	ADP
eurjchem-1949	205	50	nc	nc	PROPN
eurjchem-1949	205	51	–	–	PUNCT
eurjchem-1949	205	52	doi	doi	NOUN
eurjchem-1949	205	53	:	:	PUNCT
eurjchem-1949	205	54	10.5155	10.5155	NUM
eurjchem-1949	205	55	/	/	SYM
eurjchem-1949	205	56	eurjchem.11.1.60	eurjchem.11.1.60	PROPN
eurjchem-1949	205	57	-	-	PUNCT
eurjchem-1949	205	58	67.1949	67.1949	NUM
eurjchem-1949	205	59	adeniji	adeniji	PROPN
eurjchem-1949	205	60	et	et	PROPN
eurjchem-1949	205	61	al	al	PROPN
eurjchem-1949	205	62	.	.	PUNCT
eurjchem-1949	205	63	/	/	SYM
eurjchem-1949	205	64	european	european	PROPN
eurjchem-1949	205	65	journal	journal	PROPN
eurjchem-1949	205	66	of	of	ADP
eurjchem-1949	205	67	chemistry	chemistry	NOUN
eurjchem-1949	205	68	11	11	NUM
eurjchem-1949	205	69	(	(	PUNCT
eurjchem-1949	205	70	1	1	NUM
eurjchem-1949	205	71	)	)	PUNCT
eurjchem-1949	205	72	(	(	PUNCT
eurjchem-1949	205	73	2020	2020	NUM
eurjchem-1949	205	74	)	)	PUNCT
eurjchem-1949	205	75	60	60	NUM
eurjchem-1949	205	76	-	-	SYM
eurjchem-1949	205	77	67	67	NUM
eurjchem-1949	205	78	67	67	NUM
eurjchem-1949	205	79	figure	figure	NOUN
eurjchem-1949	205	80	4	4	NUM
eurjchem-1949	206	1	.	.	PUNCT
eurjchem-1949	206	2	isoniazid	isoniazid	NOUN
eurjchem-1949	206	3	formed	form	VERB
eurjchem-1949	206	4	three	three	NUM
eurjchem-1949	206	5	hydrogen	hydrogen	NOUN
eurjchem-1949	206	6	bonds	bond	NOUN
eurjchem-1949	206	7	(	(	PUNCT
eurjchem-1949	206	8	2.29943	2.29943	NUM
eurjchem-1949	206	9	,	,	PUNCT
eurjchem-1949	206	10	2.52954	2.52954	NUM
eurjchem-1949	206	11	and	and	CCONJ
eurjchem-1949	206	12	2.24657	2.24657	NUM
eurjchem-1949	206	13	å	å	NOUN
eurjchem-1949	206	14	)	)	PUNCT
eurjchem-1949	206	15	with	with	ADP
eurjchem-1949	206	16	ser279	ser279	PROPN
eurjchem-1949	206	17	,	,	PUNCT
eurjchem-1949	206	18	ala337	ala337	NOUN
eurjchem-1949	206	19	and	and	CCONJ
eurjchem-1949	206	20	ala337	ala337	NOUN
eurjchem-1949	206	21	while	while	SCONJ
eurjchem-1949	206	22	hydrophobic	hydrophobic	NOUN
eurjchem-1949	206	23	bonds	bond	NOUN
eurjchem-1949	206	24	were	be	AUX
eurjchem-1949	206	25	observed	observe	VERB
eurjchem-1949	206	26	with	with	ADP
eurjchem-1949	206	27	cys345	cys345	PROPN
eurjchem-1949	206	28	of	of	ADP
eurjchem-1949	206	29	the	the	DET
eurjchem-1949	206	30	target	target	NOUN
eurjchem-1949	206	31	site	site	NOUN
eurjchem-1949	206	32	.	.	PUNCT
eurjchem-1949	207	1	it	it	PRON
eurjchem-1949	207	2	is	be	AUX
eurjchem-1949	207	3	an	an	DET
eurjchem-1949	207	4	evidence	evidence	NOUN
eurjchem-1949	207	5	that	that	PRON
eurjchem-1949	207	6	increase	increase	VERB
eurjchem-1949	207	7	in	in	ADP
eurjchem-1949	207	8	number	number	NOUN
eurjchem-1949	207	9	of	of	ADP
eurjchem-1949	207	10	hydrogen	hydrogen	NOUN
eurjchem-1949	207	11	bonds	bond	NOUN
eurjchem-1949	207	12	observed	observe	VERB
eurjchem-1949	207	13	in	in	ADP
eurjchem-1949	207	14	ligand	ligand	NOUN
eurjchem-1949	207	15	13	13	NUM
eurjchem-1949	207	16	of	of	ADP
eurjchem-1949	207	17	2	2	NUM
eurjchem-1949	207	18	,	,	PUNCT
eurjchem-1949	207	19	4	4	NUM
eurjchem-1949	207	20	-	-	PUNCT
eurjchem-1949	207	21	disubstituted	disubstitute	VERB
eurjchem-1949	207	22	quinoline	quinoline	NOUN
eurjchem-1949	207	23	derivatives	derivative	NOUN
eurjchem-1949	207	24	account	account	VERB
eurjchem-1949	207	25	for	for	ADP
eurjchem-1949	207	26	its	its	PRON
eurjchem-1949	207	27	higher	high	ADJ
eurjchem-1949	207	28	binding	bind	VERB
eurjchem-1949	207	29	score	score	NOUN
eurjchem-1949	208	1	-18.8	-18.8	PROPN
eurjchem-1949	208	2	kcal	kcal	NOUN
eurjchem-1949	208	3	/	/	SYM
eurjchem-1949	208	4	mol	mol	NOUN
eurjchem-1949	208	5	compared	compare	VERB
eurjchem-1949	208	6	to	to	ADP
eurjchem-1949	208	7	the	the	DET
eurjchem-1949	208	8	recommended	recommend	VERB
eurjchem-1949	208	9	drugs	drug	NOUN
eurjchem-1949	208	10	;	;	PUNCT
eurjchem-1949	208	11	‘	'	PUNCT
eurjchem-1949	208	12	‘	'	PUNCT
eurjchem-1949	208	13	isoniazid	isoniazid	NOUN
eurjchem-1949	208	14	14.6	14.6	NUM
eurjchem-1949	208	15	kcal	kcal	NOUN
eurjchem-1949	208	16	/	/	SYM
eurjchem-1949	208	17	mol	mol	NOUN
eurjchem-1949	208	18	’’	’'	PUNCT
eurjchem-1949	208	19	.	.	PUNCT
eurjchem-1949	209	1	4	4	X
eurjchem-1949	209	2	.	.	X
eurjchem-1949	209	3	conclusion	conclusion	NOUN
eurjchem-1949	209	4	qsar	qsar	NOUN
eurjchem-1949	209	5	generated	generate	VERB
eurjchem-1949	209	6	models	model	NOUN
eurjchem-1949	209	7	was	be	AUX
eurjchem-1949	209	8	able	able	ADJ
eurjchem-1949	209	9	to	to	PART
eurjchem-1949	209	10	predict	predict	VERB
eurjchem-1949	209	11	the	the	DET
eurjchem-1949	209	12	activity	activity	NOUN
eurjchem-1949	209	13	of	of	ADP
eurjchem-1949	209	14	2,4	2,4	NUM
eurjchem-1949	209	15	-	-	PUNCT
eurjchem-1949	209	16	disubstituted	disubstitute	VERB
eurjchem-1949	209	17	derivatives	derivative	NOUN
eurjchem-1949	209	18	as	as	ADP
eurjchem-1949	209	19	a	a	DET
eurjchem-1949	209	20	potent	potent	ADJ
eurjchem-1949	209	21	anti	anti	ADJ
eurjchem-1949	209	22	-	-	ADJ
eurjchem-1949	209	23	tubercular	tubercular	ADJ
eurjchem-1949	209	24	agent	agent	NOUN
eurjchem-1949	209	25	and	and	CCONJ
eurjchem-1949	209	26	molecular	molecular	ADJ
eurjchem-1949	209	27	docking	docking	NOUN
eurjchem-1949	209	28	studies	study	NOUN
eurjchem-1949	209	29	carry	carry	VERB
eurjchem-1949	209	30	out	out	ADP
eurjchem-1949	209	31	help	help	NOUN
eurjchem-1949	209	32	to	to	PART
eurjchem-1949	209	33	understand	understand	VERB
eurjchem-1949	209	34	and	and	CCONJ
eurjchem-1949	209	35	elucidate	elucidate	VERB
eurjchem-1949	209	36	the	the	DET
eurjchem-1949	209	37	interaction	interaction	NOUN
eurjchem-1949	209	38	between	between	ADP
eurjchem-1949	209	39	the	the	DET
eurjchem-1949	209	40	inhibitor	inhibitor	NOUN
eurjchem-1949	209	41	compounds	compound	NOUN
eurjchem-1949	209	42	and	and	CCONJ
eurjchem-1949	209	43	the	the	DET
eurjchem-1949	209	44	target	target	NOUN
eurjchem-1949	209	45	site	site	NOUN
eurjchem-1949	209	46	of	of	ADP
eurjchem-1949	209	47	m.	m.	NOUN
eurjchem-1949	209	48	tuberculosis	tuberculosis	NOUN
eurjchem-1949	209	49	(	(	PUNCT
eurjchem-1949	209	50	dna	dna	NOUN
eurjchem-1949	209	51	gyrase	gyrase	NOUN
eurjchem-1949	209	52	)	)	PUNCT
eurjchem-1949	209	53	.	.	PUNCT
eurjchem-1949	210	1	the	the	DET
eurjchem-1949	210	2	model	model	NOUN
eurjchem-1949	210	3	derived	derive	VERB
eurjchem-1949	210	4	was	be	AUX
eurjchem-1949	210	5	subjected	subject	VERB
eurjchem-1949	210	6	to	to	ADP
eurjchem-1949	210	7	internal	internal	ADJ
eurjchem-1949	210	8	and	and	CCONJ
eurjchem-1949	210	9	external	external	ADJ
eurjchem-1949	210	10	validation	validation	NOUN
eurjchem-1949	210	11	test	test	NOUN
eurjchem-1949	210	12	to	to	PART
eurjchem-1949	210	13	confirm	confirm	VERB
eurjchem-1949	210	14	that	that	SCONJ
eurjchem-1949	210	15	the	the	DET
eurjchem-1949	210	16	built	build	VERB
eurjchem-1949	210	17	qsar	qsar	NOUN
eurjchem-1949	210	18	model	model	NOUN
eurjchem-1949	210	19	is	be	AUX
eurjchem-1949	210	20	significant	significant	ADJ
eurjchem-1949	210	21	,	,	PUNCT
eurjchem-1949	210	22	robust	robust	ADJ
eurjchem-1949	210	23	,	,	PUNCT
eurjchem-1949	210	24	and	and	CCONJ
eurjchem-1949	210	25	reliable	reliable	ADJ
eurjchem-1949	210	26	.	.	PUNCT
eurjchem-1949	211	1	from	from	ADP
eurjchem-1949	211	2	the	the	DET
eurjchem-1949	211	3	results	result	NOUN
eurjchem-1949	211	4	,	,	PUNCT
eurjchem-1949	211	5	it	it	PRON
eurjchem-1949	211	6	is	be	AUX
eurjchem-1949	211	7	concluded	conclude	VERB
eurjchem-1949	211	8	that	that	SCONJ
eurjchem-1949	211	9	2,4	2,4	NUM
eurjchem-1949	211	10	-	-	PUNCT
eurjchem-1949	211	11	disubstituted	disubstitute	VERB
eurjchem-1949	211	12	quinoline	quinoline	NOUN
eurjchem-1949	211	13	derivatives	derivative	NOUN
eurjchem-1949	211	14	can	can	AUX
eurjchem-1949	211	15	be	be	AUX
eurjchem-1949	211	16	modelled	model	VERB
eurjchem-1949	211	17	using	use	VERB
eurjchem-1949	211	18	molecular	molecular	ADJ
eurjchem-1949	211	19	descriptors	descriptor	NOUN
eurjchem-1949	211	20	;	;	PUNCT
eurjchem-1949	211	21	aats7s	aats7s	ADV
eurjchem-1949	211	22	,	,	PUNCT
eurjchem-1949	211	23	vr1	vr1	PROPN
eurjchem-1949	211	24	-	-	PUNCT
eurjchem-1949	211	25	dzi	dzi	PROPN
eurjchem-1949	211	26	,	,	PUNCT
eurjchem-1949	211	27	vr1dzs	vr1dzs	PROPN
eurjchem-1949	211	28	,	,	PUNCT
eurjchem-1949	211	29	spmin7	spmin7	PROPN
eurjchem-1949	211	30	-	-	PUNCT
eurjchem-1949	211	31	bhe	bhe	PROPN
eurjchem-1949	211	32	and	and	CCONJ
eurjchem-1949	211	33	rdf110i	rdf110i	NOUN
eurjchem-1949	211	34	.	.	PUNCT
eurjchem-1949	212	1	molecular	molecular	ADJ
eurjchem-1949	212	2	docking	docking	NOUN
eurjchem-1949	212	3	simulation	simulation	NOUN
eurjchem-1949	212	4	shows	show	VERB
eurjchem-1949	212	5	that	that	PRON
eurjchem-1949	212	6	ligand	ligand	VERB
eurjchem-1949	212	7	13	13	NUM
eurjchem-1949	212	8	of	of	ADP
eurjchem-1949	212	9	2,4	2,4	NUM
eurjchem-1949	212	10	-	-	PUNCT
eurjchem-1949	212	11	disubstituted	disubstitute	VERB
eurjchem-1949	212	12	quinoline	quinoline	NOUN
eurjchem-1949	212	13	derivatives	derivative	NOUN
eurjchem-1949	212	14	have	have	AUX
eurjchem-1949	212	15	promising	promise	VERB
eurjchem-1949	212	16	higher	high	ADJ
eurjchem-1949	212	17	binding	bind	VERB
eurjchem-1949	212	18	score	score	NOUN
eurjchem-1949	212	19	of	of	ADP
eurjchem-1949	212	20	-18.8	-18.8	PROPN
eurjchem-1949	212	21	kcal	kcal	NOUN
eurjchem-1949	212	22	/	/	SYM
eurjchem-1949	212	23	mol	mol	NOUN
eurjchem-1949	212	24	compared	compare	VERB
eurjchem-1949	212	25	to	to	ADP
eurjchem-1949	212	26	the	the	DET
eurjchem-1949	212	27	recommended	recommend	VERB
eurjchem-1949	212	28	drugs	drug	NOUN
eurjchem-1949	212	29	;	;	PUNCT
eurjchem-1949	212	30	isoniazid	isoniazid	NOUN
eurjchem-1949	212	31	-14.6	-14.6	NUM
eurjchem-1949	212	32	kcal	kcal	PROPN
eurjchem-1949	212	33	/	/	SYM
eurjchem-1949	212	34	mol	mol	PROPN
eurjchem-1949	212	35	.	.	PUNCT
eurjchem-1949	213	1	the	the	DET
eurjchem-1949	213	2	built	build	VERB
eurjchem-1949	213	3	qsar	qsar	NOUN
eurjchem-1949	213	4	model	model	NOUN
eurjchem-1949	213	5	and	and	CCONJ
eurjchem-1949	213	6	docking	docking	NOUN
eurjchem-1949	213	7	studies	study	NOUN
eurjchem-1949	213	8	could	could	AUX
eurjchem-1949	213	9	serve	serve	VERB
eurjchem-1949	213	10	as	as	ADP
eurjchem-1949	213	11	a	a	DET
eurjchem-1949	213	12	vital	vital	ADJ
eurjchem-1949	213	13	tool	tool	NOUN
eurjchem-1949	213	14	for	for	ADP
eurjchem-1949	213	15	pharmaceutical	pharmaceutical	NOUN
eurjchem-1949	213	16	as	as	ADV
eurjchem-1949	213	17	well	well	ADV
eurjchem-1949	213	18	as	as	ADP
eurjchem-1949	213	19	medicinal	medicinal	ADJ
eurjchem-1949	213	20	chemists	chemist	NOUN
eurjchem-1949	213	21	to	to	PART
eurjchem-1949	213	22	design	design	VERB
eurjchem-1949	213	23	and	and	CCONJ
eurjchem-1949	213	24	synthesis	synthesis	VERB
eurjchem-1949	213	25	novel	novel	ADJ
eurjchem-1949	213	26	anti	anti	ADJ
eurjchem-1949	213	27	-	-	ADJ
eurjchem-1949	213	28	tubercular	tubercular	ADJ
eurjchem-1949	213	29	drugs	drug	NOUN
eurjchem-1949	213	30	with	with	ADP
eurjchem-1949	213	31	better	well	ADJ
eurjchem-1949	213	32	activities	activity	NOUN
eurjchem-1949	213	33	against	against	ADP
eurjchem-1949	213	34	m.	m.	NOUN
eurjchem-1949	213	35	tuberculosis	tuberculosis	NOUN
eurjchem-1949	213	36	.	.	PUNCT
eurjchem-1949	214	1	disclosure	disclosure	NOUN
eurjchem-1949	214	2	statement	statement	NOUN
eurjchem-1949	214	3	conflict	conflict	NOUN
eurjchem-1949	214	4	of	of	ADP
eurjchem-1949	214	5	interests	interest	NOUN
eurjchem-1949	214	6	:	:	PUNCT
eurjchem-1949	214	7	the	the	DET
eurjchem-1949	214	8	authors	author	NOUN
eurjchem-1949	214	9	declare	declare	VERB
eurjchem-1949	214	10	that	that	SCONJ
eurjchem-1949	214	11	they	they	PRON
eurjchem-1949	214	12	have	have	VERB
eurjchem-1949	214	13	no	no	DET
eurjchem-1949	214	14	conflict	conflict	NOUN
eurjchem-1949	214	15	of	of	ADP
eurjchem-1949	214	16	interest	interest	NOUN
eurjchem-1949	214	17	.	.	PUNCT
eurjchem-1949	215	1	author	author	NOUN
eurjchem-1949	215	2	contributions	contribution	NOUN
eurjchem-1949	215	3	:	:	PUNCT
eurjchem-1949	215	4	all	all	DET
eurjchem-1949	215	5	authors	author	NOUN
eurjchem-1949	215	6	contributed	contribute	VERB
eurjchem-1949	215	7	equally	equally	ADV
eurjchem-1949	215	8	to	to	ADP
eurjchem-1949	215	9	this	this	DET
eurjchem-1949	215	10	work	work	NOUN
eurjchem-1949	215	11	.	.	PUNCT
eurjchem-1949	216	1	ethical	ethical	ADJ
eurjchem-1949	216	2	approval	approval	NOUN
eurjchem-1949	216	3	:	:	PUNCT
eurjchem-1949	217	1	all	all	DET
eurjchem-1949	217	2	ethical	ethical	ADJ
eurjchem-1949	217	3	guidelines	guideline	NOUN
eurjchem-1949	217	4	have	have	AUX
eurjchem-1949	217	5	been	be	AUX
eurjchem-1949	217	6	adhered	adhere	VERB
eurjchem-1949	217	7	.	.	PUNCT
eurjchem-1949	218	1	sample	sample	NOUN
eurjchem-1949	218	2	availability	availability	NOUN
eurjchem-1949	218	3	:	:	PUNCT
eurjchem-1949	218	4	samples	sample	NOUN
eurjchem-1949	218	5	of	of	ADP
eurjchem-1949	218	6	the	the	DET
eurjchem-1949	218	7	compounds	compound	NOUN
eurjchem-1949	218	8	are	be	AUX
eurjchem-1949	218	9	obtained	obtain	VERB
eurjchem-1949	218	10	from	from	ADP
eurjchem-1949	218	11	the	the	DET
eurjchem-1949	218	12	literature	literature	NOUN
eurjchem-1949	218	13	.	.	PUNCT
eurjchem-1949	219	1	orcid	orcid	PROPN
eurjchem-1949	220	1	shola	shola	PROPN
eurjchem-1949	220	2	elijah	elijah	PROPN
eurjchem-1949	220	3	adeniji	adeniji	PROPN
eurjchem-1949	220	4	http://orcid.org/0000-0002-7750-8174	http://orcid.org/0000-0002-7750-8174	PROPN
eurjchem-1949	220	5	abdulwahab	abdulwahab	PROPN
eurjchem-1949	220	6	isiaka	isiaka	PROPN
eurjchem-1949	220	7	http://orcid.org/0000-0001-7826-2279	http://orcid.org/0000-0001-7826-2279	PROPN
eurjchem-1949	220	8	kalen	kalen	PROPN
eurjchem-1949	220	9	ephraim	ephraim	PROPN
eurjchem-1949	220	10	audu	audu	PROPN
eurjchem-1949	220	11	http://orcid.org/0000-0002-2403-8893	http://orcid.org/0000-0002-2403-8893	PROPN
eurjchem-1949	220	12	olajumoke	olajumoke	VERB
eurjchem-1949	220	13	bosede	bosede	ADJ
eurjchem-1949	220	14	adalumo	adalumo	ADJ
eurjchem-1949	220	15	http://orcid.org/0000-0003-0609-977x	http://orcid.org/0000-0003-0609-977x	PROPN
eurjchem-1949	220	16	references	reference	NOUN
eurjchem-1949	220	17	[	[	X
eurjchem-1949	220	18	1	1	NUM
eurjchem-1949	220	19	]	]	PUNCT
eurjchem-1949	220	20	.	.	PUNCT
eurjchem-1949	221	1	world	world	PROPN
eurjchem-1949	221	2	health	health	PROPN
eurjchem-1949	221	3	organization	organization	NOUN
eurjchem-1949	221	4	,	,	PUNCT
eurjchem-1949	221	5	tuberculosis	tuberculosis	NOUN
eurjchem-1949	221	6	,	,	PUNCT
eurjchem-1949	221	7	retrieved	retrieve	VERB
eurjchem-1949	221	8	feb	feb	PROPN
eurjchem-1949	221	9	01	01	NUM
eurjchem-1949	221	10	,	,	PUNCT
eurjchem-1949	221	11	2020	2020	NUM
eurjchem-1949	221	12	,	,	PUNCT
eurjchem-1949	221	13	from	from	ADP
eurjchem-1949	221	14	http://www.who.int/news-room/fact-sheets/detail/	http://www.who.int/news-room/fact-sheets/detail/	NOUN
eurjchem-1949	221	15	tuberculosis	tuberculosis	NOUN
eurjchem-1949	221	16	.	.	PUNCT
eurjchem-1949	222	1	[	[	X
eurjchem-1949	222	2	2	2	NUM
eurjchem-1949	222	3	]	]	PUNCT
eurjchem-1949	222	4	.	.	PUNCT
eurjchem-1949	223	1	hansch	hansch	PROPN
eurjchem-1949	223	2	,	,	PUNCT
eurjchem-1949	223	3	c.	c.	NOUN
eurjchem-1949	223	4	;	;	PUNCT
eurjchem-1949	223	5	kurup	kurup	NOUN
eurjchem-1949	223	6	,	,	PUNCT
eurjchem-1949	223	7	a.	a.	NOUN
eurjchem-1949	223	8	;	;	PUNCT
eurjchem-1949	223	9	garg	garg	PROPN
eurjchem-1949	223	10	,	,	PUNCT
eurjchem-1949	223	11	r.	r.	PROPN
eurjchem-1949	223	12	;	;	PUNCT
eurjchem-1949	223	13	gao	gao	PROPN
eurjchem-1949	223	14	,	,	PUNCT
eurjchem-1949	223	15	h.	h.	PROPN
eurjchem-1949	223	16	chem	chem	PROPN
eurjchem-1949	223	17	.	.	PUNCT
eurjchem-1949	224	1	rev	rev	PROPN
eurjchem-1949	224	2	.	.	PROPN
eurjchem-1949	224	3	2001	2001	NUM
eurjchem-1949	224	4	,	,	PUNCT
eurjchem-1949	224	5	101	101	NUM
eurjchem-1949	224	6	,	,	PUNCT
eurjchem-1949	224	7	619	619	NUM
eurjchem-1949	224	8	-	-	SYM
eurjchem-1949	224	9	672	672	NUM
eurjchem-1949	224	10	.	.	PUNCT
eurjchem-1949	225	1	[	[	X
eurjchem-1949	225	2	3	3	NUM
eurjchem-1949	225	3	]	]	PUNCT
eurjchem-1949	225	4	.	.	PUNCT
eurjchem-1949	226	1	adeniji	adeniji	PROPN
eurjchem-1949	226	2	,	,	PUNCT
eurjchem-1949	226	3	s.	s.	PROPN
eurjchem-1949	226	4	e.	e.	PROPN
eurjchem-1949	226	5	;	;	PUNCT
eurjchem-1949	226	6	uba	uba	PROPN
eurjchem-1949	226	7	,	,	PUNCT
eurjchem-1949	226	8	s.	s.	PROPN
eurjchem-1949	226	9	;	;	PUNCT
eurjchem-1949	226	10	uzairu	uzairu	PROPN
eurjchem-1949	226	11	,	,	PUNCT
eurjchem-1949	226	12	a.	a.	PROPN
eurjchem-1949	226	13	j.	j.	PROPN
eurjchem-1949	226	14	pathog	pathog	PROPN
eurjchem-1949	226	15	.	.	PROPN
eurjchem-1949	227	1	2018	2018	NUM
eurjchem-1949	227	2	,	,	PUNCT
eurjchem-1949	227	3	1018694	1018694	NUM
eurjchem-1949	227	4	.	.	PUNCT
eurjchem-1949	228	1	[	[	X
eurjchem-1949	228	2	4	4	NUM
eurjchem-1949	228	3	]	]	PUNCT
eurjchem-1949	228	4	.	.	PUNCT
eurjchem-1949	229	1	ogadimma	ogadimma	PROPN
eurjchem-1949	229	2	,	,	PUNCT
eurjchem-1949	229	3	a.	a.	NOUN
eurjchem-1949	229	4	i.	i.	PROPN
eurjchem-1949	229	5	;	;	PUNCT
eurjchem-1949	229	6	adamu	adamu	PROPN
eurjchem-1949	229	7	,	,	PUNCT
eurjchem-1949	229	8	u.	u.	PROPN
eurjchem-1949	229	9	open	open	PROPN
eurjchem-1949	229	10	access	access	PROPN
eurjchem-1949	229	11	lib	lib	PROPN
eurjchem-1949	229	12	.	.	PUNCT
eurjchem-1949	230	1	j.	j.	PROPN
eurjchem-1949	230	2	2016	2016	NUM
eurjchem-1949	230	3	,	,	PUNCT
eurjchem-1949	230	4	3	3	NUM
eurjchem-1949	230	5	,	,	PUNCT
eurjchem-1949	230	6	1	1	NUM
eurjchem-1949	230	7	-	-	SYM
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eurjchem-1949	230	9	.	.	PUNCT
eurjchem-1949	231	1	[	[	X
eurjchem-1949	231	2	5	5	NUM
eurjchem-1949	231	3	]	]	PUNCT
eurjchem-1949	231	4	.	.	PUNCT
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eurjchem-1949	232	2	,	,	PUNCT
eurjchem-1949	232	3	g.	g.	PROPN
eurjchem-1949	232	4	m.	m.	PROPN
eurjchem-1949	232	5	;	;	PUNCT
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eurjchem-1949	232	7	,	,	PUNCT
eurjchem-1949	232	8	a.	a.	NOUN
eurjchem-1949	232	9	;	;	PUNCT
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eurjchem-1949	232	11	,	,	PUNCT
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eurjchem-1949	232	13	a.	a.	PROPN
eurjchem-1949	232	14	j.	j.	PROPN
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eurjchem-1949	232	16	.	.	PUNCT
eurjchem-1949	233	1	res	res	PROPN
eurjchem-1949	233	2	.	.	PUNCT
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eurjchem-1949	234	2	.	.	PROPN
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eurjchem-1949	234	4	,	,	PUNCT
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eurjchem-1949	234	6	,	,	PUNCT
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eurjchem-1949	234	8	-	-	SYM
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eurjchem-1949	234	10	.	.	PUNCT
eurjchem-1949	235	1	[	[	X
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eurjchem-1949	235	3	]	]	PUNCT
eurjchem-1949	235	4	.	.	PUNCT
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eurjchem-1949	236	2	,	,	PUNCT
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eurjchem-1949	236	4	e.	e.	PROPN
eurjchem-1949	236	5	;	;	PUNCT
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eurjchem-1949	236	7	,	,	PUNCT
eurjchem-1949	236	8	s.	s.	PROPN
eurjchem-1949	236	9	;	;	PUNCT
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eurjchem-1949	236	11	,	,	PUNCT
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eurjchem-1949	236	14	.	.	PUNCT
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eurjchem-1949	238	4	,	,	PUNCT
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eurjchem-1949	238	6	,	,	PUNCT
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eurjchem-1949	238	8	-	-	SYM
eurjchem-1949	238	9	492	492	NUM
eurjchem-1949	238	10	.	.	PUNCT
eurjchem-1949	239	1	[	[	X
eurjchem-1949	239	2	7	7	NUM
eurjchem-1949	239	3	]	]	PUNCT
eurjchem-1949	239	4	.	.	PUNCT
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eurjchem-1949	240	2	,	,	PUNCT
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eurjchem-1949	240	4	e.	e.	PROPN
eurjchem-1949	240	5	;	;	PUNCT
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eurjchem-1949	240	7	,	,	PUNCT
eurjchem-1949	240	8	s.	s.	PROPN
eurjchem-1949	240	9	;	;	PUNCT
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eurjchem-1949	240	11	,	,	PUNCT
eurjchem-1949	240	12	a.	a.	PROPN
eurjchem-1949	240	13	j.	j.	PROPN
eurjchem-1949	240	14	king	king	PROPN
eurjchem-1949	240	15	saud	saud	PROPN
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eurjchem-1949	240	17	-	-	PUNCT
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eurjchem-1949	240	19	.	.	PROPN
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eurjchem-1949	240	21	,	,	PUNCT
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eurjchem-1949	240	23	)	)	PUNCT
eurjchem-1949	240	24	,	,	PUNCT
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eurjchem-1949	240	26	-	-	SYM
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eurjchem-1949	240	28	.	.	PUNCT
eurjchem-1949	241	1	[	[	X
eurjchem-1949	241	2	8	8	NUM
eurjchem-1949	241	3	]	]	SYM
eurjchem-1949	241	4	.	.	PUNCT
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eurjchem-1949	241	6	,	,	PUNCT
eurjchem-1949	241	7	a.	a.	PROPN
eurjchem-1949	241	8	;	;	PUNCT
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eurjchem-1949	241	10	,	,	PUNCT
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eurjchem-1949	241	12	indian	indian	PROPN
eurjchem-1949	241	13	j.	j.	PROPN
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eurjchem-1949	241	15	.	.	PUNCT
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eurjchem-1949	242	3	,	,	PUNCT
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eurjchem-1949	242	5	,	,	PUNCT
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eurjchem-1949	242	7	-	-	SYM
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eurjchem-1949	242	9	.	.	PUNCT
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eurjchem-1949	243	3	]	]	PUNCT
eurjchem-1949	243	4	.	.	PUNCT
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eurjchem-1949	244	2	,	,	PUNCT
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eurjchem-1949	244	4	w.	w.	PROPN
eurjchem-1949	244	5	j.	j.	PROPN
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eurjchem-1949	244	7	.	.	PUNCT
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eurjchem-1949	245	2	.	.	PUNCT
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eurjchem-1949	246	2	,	,	PUNCT
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eurjchem-1949	246	4	,	,	PUNCT
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eurjchem-1949	246	6	-	-	SYM
eurjchem-1949	246	7	1474	1474	NUM
eurjchem-1949	246	8	.	.	PUNCT
eurjchem-1949	247	1	[	[	X
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eurjchem-1949	247	3	]	]	PUNCT
eurjchem-1949	247	4	.	.	PUNCT
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eurjchem-1949	248	2	,	,	PUNCT
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eurjchem-1949	248	4	j.	j.	PROPN
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eurjchem-1949	248	6	.	.	PUNCT
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eurjchem-1949	248	8	.	.	PUNCT
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eurjchem-1949	249	2	.	.	PUNCT
eurjchem-1949	250	1	sci	sci	PROPN
eurjchem-1949	250	2	.	.	PROPN
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eurjchem-1949	250	4	,	,	PUNCT
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eurjchem-1949	250	6	)	)	PUNCT
eurjchem-1949	250	7	,	,	PUNCT
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eurjchem-1949	250	9	-	-	SYM
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eurjchem-1949	251	3	]	]	PUNCT
eurjchem-1949	251	4	.	.	PUNCT
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eurjchem-1949	252	2	,	,	PUNCT
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eurjchem-1949	252	7	,	,	PUNCT
eurjchem-1949	252	8	s.	s.	PROPN
eurjchem-1949	252	9	;	;	PUNCT
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eurjchem-1949	252	11	,	,	PUNCT
eurjchem-1949	252	12	a.	a.	NOUN
eurjchem-1949	252	13	;	;	PUNCT
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eurjchem-1949	252	15	,	,	PUNCT
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eurjchem-1949	252	17	e.	e.	PROPN
eurjchem-1949	252	18	adv	adv	PROPN
eurjchem-1949	252	19	.	.	PUNCT
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eurjchem-1949	253	3	.	.	PROPN
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eurjchem-1949	253	5	,	,	PUNCT
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eurjchem-1949	253	7	,	,	PUNCT
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eurjchem-1949	253	9	-	-	SYM
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eurjchem-1949	253	11	.	.	PUNCT
eurjchem-1949	254	1	[	[	X
eurjchem-1949	254	2	12	12	NUM
eurjchem-1949	254	3	]	]	PUNCT
eurjchem-1949	254	4	.	.	PUNCT
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eurjchem-1949	255	2	,	,	PUNCT
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eurjchem-1949	255	4	;	;	PUNCT
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eurjchem-1949	255	6	,	,	PUNCT
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eurjchem-1949	255	8	;	;	PUNCT
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eurjchem-1949	255	10	,	,	PUNCT
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eurjchem-1949	255	12	k.	k.	PROPN
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eurjchem-1949	255	16	.	.	PUNCT
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eurjchem-1949	256	2	,	,	PUNCT
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eurjchem-1949	256	4	,	,	PUNCT
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eurjchem-1949	256	6	.	.	PUNCT
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eurjchem-1949	257	3	]	]	PUNCT
eurjchem-1949	257	4	.	.	PUNCT
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eurjchem-1949	258	28	.	.	PUNCT
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eurjchem-1949	259	2	.	.	PUNCT
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eurjchem-1949	260	2	,	,	PUNCT
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eurjchem-1949	260	4	,	,	PUNCT
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eurjchem-1949	260	6	-	-	SYM
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eurjchem-1949	260	8	.	.	PUNCT
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eurjchem-1949	261	4	.	.	PUNCT
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eurjchem-1949	261	22	,	,	PUNCT
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eurjchem-1949	262	6	.	.	PUNCT
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eurjchem-1949	263	2	,	,	PUNCT
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eurjchem-1949	263	5	,	,	PUNCT
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eurjchem-1949	268	2	.	.	PUNCT
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eurjchem-1949	269	2	,	,	PUNCT
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eurjchem-1949	270	4	.	.	PUNCT
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eurjchem-1949	271	8	;	;	PUNCT
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eurjchem-1949	272	7	.	.	PUNCT
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eurjchem-1949	273	5	;	;	PUNCT
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eurjchem-1949	275	2	.	.	PROPN
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eurjchem-1949	275	4	,	,	PUNCT
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eurjchem-1949	275	6	,	,	PUNCT
eurjchem-1949	275	7	284295	284295	NUM
eurjchem-1949	275	8	.	.	PUNCT
eurjchem-1949	276	1	copyright	copyright	NOUN
eurjchem-1949	276	2	©	©	PROPN
eurjchem-1949	276	3	2020	2020	NUM
eurjchem-1949	276	4	by	by	ADP
eurjchem-1949	276	5	authors	author	NOUN
eurjchem-1949	276	6	.	.	PUNCT
eurjchem-1949	277	1	this	this	DET
eurjchem-1949	277	2	work	work	NOUN
eurjchem-1949	277	3	is	be	AUX
eurjchem-1949	277	4	published	publish	VERB
eurjchem-1949	277	5	and	and	CCONJ
eurjchem-1949	277	6	licensed	license	VERB
eurjchem-1949	277	7	by	by	ADP
eurjchem-1949	277	8	atlanta	atlanta	PROPN
eurjchem-1949	277	9	publishing	publishing	PROPN
eurjchem-1949	277	10	house	house	PROPN
eurjchem-1949	277	11	llc	llc	PROPN
eurjchem-1949	277	12	,	,	PUNCT
eurjchem-1949	277	13	atlanta	atlanta	PROPN
eurjchem-1949	277	14	,	,	PUNCT
eurjchem-1949	277	15	ga	ga	PROPN
eurjchem-1949	277	16	,	,	PUNCT
eurjchem-1949	277	17	usa	usa	PROPN
eurjchem-1949	277	18	.	.	PUNCT
eurjchem-1949	278	1	the	the	DET
eurjchem-1949	278	2	full	full	ADJ
eurjchem-1949	278	3	terms	term	NOUN
eurjchem-1949	278	4	of	of	ADP
eurjchem-1949	278	5	this	this	DET
eurjchem-1949	278	6	license	license	NOUN
eurjchem-1949	278	7	are	be	AUX
eurjchem-1949	278	8	available	available	ADJ
eurjchem-1949	278	9	at	at	ADP
eurjchem-1949	278	10	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-1949	278	11	and	and	CCONJ
eurjchem-1949	278	12	incorporate	incorporate	VERB
eurjchem-1949	278	13	the	the	DET
eurjchem-1949	278	14	creative	creative	ADJ
eurjchem-1949	278	15	commons	common	NOUN
eurjchem-1949	278	16	attribution	attribution	NOUN
eurjchem-1949	278	17	-	-	PUNCT
eurjchem-1949	278	18	non	non	ADJ
eurjchem-1949	278	19	commercial	commercial	NOUN
eurjchem-1949	278	20	(	(	PUNCT
eurjchem-1949	278	21	cc	cc	NOUN
eurjchem-1949	278	22	by	by	ADP
eurjchem-1949	278	23	nc	nc	PROPN
eurjchem-1949	278	24	)	)	PUNCT
eurjchem-1949	278	25	(	(	PUNCT
eurjchem-1949	278	26	international	international	ADJ
eurjchem-1949	278	27	,	,	PUNCT
eurjchem-1949	278	28	v4.0	v4.0	NOUN
eurjchem-1949	278	29	)	)	PUNCT
eurjchem-1949	278	30	license	license	NOUN
eurjchem-1949	278	31	(	(	PUNCT
eurjchem-1949	278	32	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	NOUN
eurjchem-1949	278	33	)	)	PUNCT
eurjchem-1949	278	34	.	.	PUNCT
eurjchem-1949	279	1	by	by	ADP
eurjchem-1949	279	2	accessing	access	VERB
eurjchem-1949	279	3	the	the	DET
eurjchem-1949	279	4	work	work	NOUN
eurjchem-1949	279	5	,	,	PUNCT
eurjchem-1949	279	6	you	you	PRON
eurjchem-1949	279	7	hereby	hereby	ADV
eurjchem-1949	279	8	accept	accept	VERB
eurjchem-1949	279	9	the	the	DET
eurjchem-1949	279	10	terms	term	NOUN
eurjchem-1949	279	11	.	.	PUNCT
eurjchem-1949	280	1	this	this	PRON
eurjchem-1949	280	2	is	be	AUX
eurjchem-1949	280	3	an	an	DET
eurjchem-1949	280	4	open	open	ADJ
eurjchem-1949	280	5	access	access	NOUN
eurjchem-1949	280	6	article	article	NOUN
eurjchem-1949	280	7	distributed	distribute	VERB
eurjchem-1949	280	8	under	under	ADP
eurjchem-1949	280	9	the	the	DET
eurjchem-1949	280	10	terms	term	NOUN
eurjchem-1949	280	11	and	and	CCONJ
eurjchem-1949	280	12	conditions	condition	NOUN
eurjchem-1949	280	13	of	of	ADP
eurjchem-1949	280	14	the	the	DET
eurjchem-1949	280	15	cc	cc	PROPN
eurjchem-1949	280	16	by	by	ADP
eurjchem-1949	280	17	nc	nc	PROPN
eurjchem-1949	280	18	license	license	PROPN
eurjchem-1949	280	19	,	,	PUNCT
eurjchem-1949	280	20	which	which	PRON
eurjchem-1949	280	21	permits	permit	VERB
eurjchem-1949	280	22	unrestricted	unrestricted	ADJ
eurjchem-1949	280	23	non	non	ADJ
eurjchem-1949	280	24	-	-	ADJ
eurjchem-1949	280	25	commercial	commercial	ADJ
eurjchem-1949	280	26	use	use	NOUN
eurjchem-1949	280	27	,	,	PUNCT
eurjchem-1949	280	28	distribution	distribution	NOUN
eurjchem-1949	280	29	,	,	PUNCT
eurjchem-1949	280	30	and	and	CCONJ
eurjchem-1949	280	31	reproduction	reproduction	NOUN
eurjchem-1949	280	32	in	in	ADP
eurjchem-1949	280	33	any	any	DET
eurjchem-1949	280	34	medium	medium	NOUN
eurjchem-1949	280	35	,	,	PUNCT
eurjchem-1949	280	36	provided	provide	VERB
eurjchem-1949	280	37	the	the	DET
eurjchem-1949	280	38	original	original	ADJ
eurjchem-1949	280	39	work	work	NOUN
eurjchem-1949	280	40	is	be	AUX
eurjchem-1949	280	41	properly	properly	ADV
eurjchem-1949	280	42	cited	cite	VERB
eurjchem-1949	280	43	without	without	ADP
eurjchem-1949	280	44	any	any	DET
eurjchem-1949	280	45	further	further	ADJ
eurjchem-1949	280	46	permission	permission	NOUN
eurjchem-1949	280	47	from	from	ADP
eurjchem-1949	280	48	atlanta	atlanta	PROPN
eurjchem-1949	280	49	publishing	publishing	PROPN
eurjchem-1949	280	50	house	house	PROPN
eurjchem-1949	280	51	llc	llc	PROPN
eurjchem-1949	280	52	(	(	PUNCT
eurjchem-1949	280	53	european	european	PROPN
eurjchem-1949	280	54	journal	journal	PROPN
eurjchem-1949	280	55	of	of	ADP
eurjchem-1949	280	56	chemistry	chemistry	NOUN
eurjchem-1949	280	57	)	)	PUNCT
eurjchem-1949	280	58	.	.	PUNCT
eurjchem-1949	281	1	no	no	DET
eurjchem-1949	281	2	use	use	NOUN
eurjchem-1949	281	3	,	,	PUNCT
eurjchem-1949	281	4	distribution	distribution	NOUN
eurjchem-1949	281	5	or	or	CCONJ
eurjchem-1949	281	6	reproduction	reproduction	NOUN
eurjchem-1949	281	7	is	be	AUX
eurjchem-1949	281	8	permitted	permit	VERB
eurjchem-1949	281	9	which	which	PRON
eurjchem-1949	281	10	does	do	AUX
eurjchem-1949	281	11	not	not	PART
eurjchem-1949	281	12	comply	comply	VERB
eurjchem-1949	281	13	with	with	ADP
eurjchem-1949	281	14	these	these	DET
eurjchem-1949	281	15	terms	term	NOUN
eurjchem-1949	281	16	.	.	PUNCT
eurjchem-1949	282	1	permissions	permission	NOUN
eurjchem-1949	282	2	for	for	ADP
eurjchem-1949	282	3	commercial	commercial	ADJ
eurjchem-1949	282	4	use	use	NOUN
eurjchem-1949	282	5	of	of	ADP
eurjchem-1949	282	6	this	this	DET
eurjchem-1949	282	7	work	work	NOUN
eurjchem-1949	282	8	beyond	beyond	ADP
eurjchem-1949	282	9	the	the	DET
eurjchem-1949	282	10	scope	scope	NOUN
eurjchem-1949	282	11	of	of	ADP
eurjchem-1949	282	12	the	the	DET
eurjchem-1949	282	13	license	license	NOUN
eurjchem-1949	282	14	(	(	PUNCT
eurjchem-1949	282	15	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-1949	282	16	)	)	PUNCT
eurjchem-1949	282	17	are	be	AUX
eurjchem-1949	282	18	administered	administer	VERB
eurjchem-1949	282	19	by	by	ADP
eurjchem-1949	282	20	atlanta	atlanta	PROPN
eurjchem-1949	282	21	publishing	publishing	PROPN
eurjchem-1949	282	22	house	house	PROPN
eurjchem-1949	282	23	llc	llc	PROPN
eurjchem-1949	282	24	(	(	PUNCT
eurjchem-1949	282	25	european	european	PROPN
eurjchem-1949	282	26	journal	journal	PROPN
eurjchem-1949	282	27	of	of	ADP
eurjchem-1949	282	28	chemistry	chemistry	NOUN
eurjchem-1949	282	29	)	)	PUNCT
eurjchem-1949	282	30	.	.	PUNCT
eurjchem-1949	283	1	2020	2020	NUM
eurjchem-1949	283	2	–	–	PUNCT
eurjchem-1949	283	3	european	european	ADJ
eurjchem-1949	283	4	journal	journal	NOUN
eurjchem-1949	283	5	of	of	ADP
eurjchem-1949	283	6	chemistry	chemistry	NOUN
eurjchem-1949	283	7	–	–	PUNCT
eurjchem-1949	283	8	cc	cc	NOUN
eurjchem-1949	283	9	by	by	ADP
eurjchem-1949	283	10	nc	nc	PROPN
eurjchem-1949	283	11	–	–	PUNCT
eurjchem-1949	283	12	doi	doi	NOUN
eurjchem-1949	283	13	:	:	PUNCT
eurjchem-1949	283	14	10.5155	10.5155	NUM
eurjchem-1949	283	15	/	/	SYM
eurjchem-1949	283	16	eurjchem.11.1.60	eurjchem.11.1.60	PROPN
eurjchem-1949	283	17	-	-	PUNCT
eurjchem-1949	283	18	67.1949	67.1949	NUM
eurjchem-1949	283	19	http://orcid.org/0000-0002-7750-8174	http://orcid.org/0000-0002-7750-8174	INTJ
eurjchem-1949	283	20	http://orcid.org/0000-0001-7826-2279	http://orcid.org/0000-0001-7826-2279	PROPN
eurjchem-1949	283	21	http://orcid.org/0000-0002-2403-8893	http://orcid.org/0000-0002-2403-8893	PROPN
eurjchem-1949	283	22	http://orcid.org/0000-0003-0609-977x	http://orcid.org/0000-0003-0609-977x	PROPN
eurjchem-1949	283	23	http://www.who.int/news-room/fact-sheets/detail/%20tuberculosis	http://www.who.int/news-room/fact-sheets/detail/%20tuberculosis	NOUN
eurjchem-1949	283	24	http://www.who.int/news-room/fact-sheets/detail/%20tuberculosis	http://www.who.int/news-room/fact-sheets/detail/%20tuberculosis	NOUN
eurjchem-1949	283	25	https://www.rcsb.org/structure/3ifz	https://www.rcsb.org/structure/3ifz	PROPN
eurjchem-1949	283	26	https://www.rcsb.org/structure/3ifz	https://www.rcsb.org/structure/3ifz	VERB
eurjchem-1949	284	1	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-1949	284	2	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-1949	284	3	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-1949	284	4	1	1	NUM
eurjchem-1949	284	5	.	.	PUNCT
eurjchem-1949	284	6	introduction	introduction	NOUN
eurjchem-1949	284	7	2	2	NUM
eurjchem-1949	284	8	.	.	PUNCT
eurjchem-1949	284	9	experimental	experimental	ADJ
eurjchem-1949	284	10	2.1	2.1	NUM
eurjchem-1949	284	11	.	.	PUNCT
eurjchem-1949	284	12	data	datum	NOUN
eurjchem-1949	284	13	set	set	VERB
eurjchem-1949	284	14	2.2	2.2	NUM
eurjchem-1949	284	15	.	.	PUNCT
eurjchem-1949	285	1	geometrical	geometrical	ADJ
eurjchem-1949	285	2	optimization	optimization	NOUN
eurjchem-1949	285	3	2.3	2.3	NUM
eurjchem-1949	285	4	.	.	PUNCT
eurjchem-1949	286	1	calculation	calculation	NOUN
eurjchem-1949	286	2	of	of	ADP
eurjchem-1949	286	3	descriptor	descriptor	NOUN
eurjchem-1949	286	4	2.4	2.4	NUM
eurjchem-1949	286	5	.	.	PUNCT
eurjchem-1949	287	1	normalization	normalization	NOUN
eurjchem-1949	287	2	and	and	CCONJ
eurjchem-1949	287	3	pretreatment	pretreatment	NOUN
eurjchem-1949	287	4	of	of	ADP
eurjchem-1949	287	5	data	datum	NOUN
eurjchem-1949	287	6	2.5	2.5	NUM
eurjchem-1949	287	7	.	.	PUNCT
eurjchem-1949	288	1	splitting	splitting	NOUN
eurjchem-1949	288	2	of	of	ADP
eurjchem-1949	288	3	data	datum	NOUN
eurjchem-1949	288	4	set	set	VERB
eurjchem-1949	288	5	2.6	2.6	NUM
eurjchem-1949	288	6	.	.	PUNCT
eurjchem-1949	289	1	building	building	NOUN
eurjchem-1949	289	2	of	of	ADP
eurjchem-1949	289	3	qsar	qsar	NOUN
eurjchem-1949	289	4	models	model	NOUN
eurjchem-1949	289	5	and	and	CCONJ
eurjchem-1949	289	6	internal	internal	ADJ
eurjchem-1949	289	7	validation	validation	NOUN
eurjchem-1949	289	8	2.7	2.7	NUM
eurjchem-1949	289	9	.	.	PUNCT
eurjchem-1949	290	1	applicability	applicability	NOUN
eurjchem-1949	290	2	domain	domain	NOUN
eurjchem-1949	290	3	2.8	2.8	NUM
eurjchem-1949	290	4	.	.	PUNCT
eurjchem-1949	291	1	y	y	NOUN
eurjchem-1949	291	2	-	-	PUNCT
eurjchem-1949	291	3	randomization	randomization	NOUN
eurjchem-1949	291	4	validation	validation	NOUN
eurjchem-1949	291	5	test	test	NOUN
eurjchem-1949	291	6	2.9	2.9	NUM
eurjchem-1949	291	7	.	.	PUNCT
eurjchem-1949	292	1	assertion	assertion	NOUN
eurjchem-1949	292	2	of	of	ADP
eurjchem-1949	292	3	the	the	DET
eurjchem-1949	292	4	build	build	NOUN
eurjchem-1949	292	5	model	model	NOUN
eurjchem-1949	292	6	2.10	2.10	NUM
eurjchem-1949	292	7	.	.	PUNCT
eurjchem-1949	293	1	docking	dock	VERB
eurjchem-1949	293	2	studies	study	NOUN
eurjchem-1949	293	3	2.10.1	2.10.1	NUM
eurjchem-1949	293	4	.	.	PUNCT
eurjchem-1949	293	5	preparation	preparation	NOUN
eurjchem-1949	293	6	of	of	ADP
eurjchem-1949	293	7	receptor	receptor	NOUN
eurjchem-1949	293	8	2.10.2	2.10.2	NUM
eurjchem-1949	293	9	.	.	PUNCT
eurjchem-1949	294	1	preparation	preparation	NOUN
eurjchem-1949	294	2	of	of	ADP
eurjchem-1949	294	3	the	the	DET
eurjchem-1949	294	4	optimum	optimum	ADJ
eurjchem-1949	294	5	ligand	ligand	NOUN
eurjchem-1949	294	6	2.10.3	2.10.3	NUM
eurjchem-1949	294	7	.	.	PUNCT
eurjchem-1949	295	1	receptor	receptor	NOUN
eurjchem-1949	295	2	-	-	PUNCT
eurjchem-1949	295	3	ligand	ligand	NOUN
eurjchem-1949	295	4	docking	docking	NOUN
eurjchem-1949	295	5	with	with	ADP
eurjchem-1949	295	6	pyrx	pyrx	NOUN
eurjchem-1949	295	7	virtual	virtual	ADJ
eurjchem-1949	295	8	screening	screening	NOUN
eurjchem-1949	295	9	software	software	NOUN
eurjchem-1949	295	10	3	3	NUM
eurjchem-1949	295	11	.	.	NOUN
eurjchem-1949	295	12	results	result	NOUN
eurjchem-1949	295	13	and	and	CCONJ
eurjchem-1949	295	14	discussion	discussion	NOUN
eurjchem-1949	295	15	3.1	3.1	NUM
eurjchem-1949	295	16	.	.	PUNCT
eurjchem-1949	296	1	qsar	qsar	PROPN
eurjchem-1949	296	2	studies	study	NOUN
eurjchem-1949	296	3	3.2	3.2	NUM
eurjchem-1949	296	4	.	.	PUNCT
eurjchem-1949	297	1	model	model	NOUN
eurjchem-1949	297	2	built	build	VERB
eurjchem-1949	297	3	3.3	3.3	NUM
eurjchem-1949	297	4	.	.	PUNCT
eurjchem-1949	298	1	mechanistic	mechanistic	ADJ
eurjchem-1949	298	2	information	information	NOUN
eurjchem-1949	298	3	of	of	ADP
eurjchem-1949	298	4	the	the	DET
eurjchem-1949	298	5	selected	select	VERB
eurjchem-1949	298	6	descriptors	descriptor	NOUN
eurjchem-1949	298	7	in	in	ADP
eurjchem-1949	298	8	built	build	VERB
eurjchem-1949	298	9	3.4	3.4	NUM
eurjchem-1949	298	10	.	.	PUNCT
eurjchem-1949	299	1	docking	dock	VERB
eurjchem-1949	299	2	studies	study	NOUN
eurjchem-1949	299	3	3.4.1	3.4.1	NUM
eurjchem-1949	299	4	.	.	PUNCT
eurjchem-1949	300	1	evaluation	evaluation	NOUN
eurjchem-1949	300	2	binding	bind	VERB
eurjchem-1949	300	3	score	score	NOUN
eurjchem-1949	300	4	3.4.2	3.4.2	NUM
eurjchem-1949	300	5	.	.	PUNCT
eurjchem-1949	300	6	determination	determination	NOUN
eurjchem-1949	300	7	of	of	ADP
eurjchem-1949	300	8	bond	bond	NOUN
eurjchem-1949	300	9	type	type	NOUN
eurjchem-1949	300	10	and	and	CCONJ
eurjchem-1949	300	11	bond	bond	NOUN
eurjchem-1949	300	12	length	length	NOUN
eurjchem-1949	300	13	3.4.3	3.4.3	NUM
eurjchem-1949	300	14	.	.	PUNCT
eurjchem-1949	301	1	determination	determination	NOUN
eurjchem-1949	301	2	of	of	ADP
eurjchem-1949	301	3	bond	bond	NOUN
eurjchem-1949	301	4	type	type	NOUN
eurjchem-1949	301	5	and	and	CCONJ
eurjchem-1949	301	6	bond	bond	NOUN
eurjchem-1949	301	7	length	length	NOUN
eurjchem-1949	301	8	between	between	ADP
eurjchem-1949	301	9	recommended	recommend	VERB
eurjchem-1949	301	10	anti	anti	ADJ
eurjchem-1949	301	11	-	-	ADJ
eurjchem-1949	301	12	tubercular	tubercular	ADJ
eurjchem-1949	301	13	drug	drug	NOUN
eurjchem-1949	301	14	(	(	PUNCT
eurjchem-1949	301	15	isoniazid	isoniazid	NOUN
eurjchem-1949	301	16	)	)	PUNCT
eurjchem-1949	301	17	and	and	CCONJ
eurjchem-1949	301	18	dna	dna	PROPN
eurjchem-1949	301	19	gyrase	gyrase	NOUN
eurjchem-1949	301	20	4	4	NUM
eurjchem-1949	301	21	.	.	PUNCT
eurjchem-1949	302	1	conclusion	conclusion	NOUN
eurjchem-1949	302	2	disclosure	disclosure	NOUN
eurjchem-1949	302	3	statement	statement	NOUN
eurjchem-1949	302	4	orcid	orcid	PROPN
eurjchem-1949	302	5	references	reference	NOUN
eurjchem-1949	302	6	printfield10	printfield10	NOUN
eurjchem-1949	302	7	:	:	PUNCT
eurjchem-1949	302	8	printfield11	printfield11	NOUN
eurjchem-1949	302	9	:	:	PUNCT
eurjchem-1949	302	10	printfield12	printfield12	PROPN
eurjchem-1949	302	11	:	:	PUNCT
eurjchem-1949	302	12	printfield13	printfield13	VERB
eurjchem-1949	302	13	:	:	PUNCT
eurjchem-1949	302	14	printfield14	printfield14	NOUN
eurjchem-1949	302	15	:	:	PUNCT
eurjchem-1949	302	16	printfield15	printfield15	NOUN
eurjchem-1949	302	17	:	:	PUNCT
eurjchem-1949	302	18	printfield16	printfield16	ADJ
eurjchem-1949	302	19	:	:	PUNCT
eurjchem-1949	302	20	printfield17	printfield17	NOUN
eurjchem-1949	302	21	:	:	PUNCT
eurjchem-1949	302	22	printfield20	printfield20	PROPN
eurjchem-1949	302	23	:	:	PUNCT
eurjchem-1949	302	24	printfield21	printfield21	ADJ
eurjchem-1949	302	25	:	:	PUNCT
eurjchem-1949	302	26	printfield22	printfield22	NOUN
eurjchem-1949	302	27	:	:	PUNCT
eurjchem-1949	302	28	printfield23	printfield23	NOUN
eurjchem-1949	302	29	:	:	PUNCT
eurjchem-1949	302	30	printfield24	printfield24	NOUN
eurjchem-1949	302	31	:	:	PUNCT
eurjchem-1949	302	32	printfield25	printfield25	NOUN
eurjchem-1949	302	33	:	:	PUNCT
eurjchem-1949	302	34	printfield26	printfield26	ADJ
eurjchem-1949	302	35	:	:	PUNCT
eurjchem-1949	302	36	printfield27	printfield27	NOUN
eurjchem-1949	302	37	:	:	PUNCT