id	sid	tid	token	lemma	pos
eurjchem-1976	1	1	in	in	ADP
eurjchem-1976	1	2	silico	silico	NOUN
eurjchem-1976	1	3	evaluation	evaluation	NOUN
eurjchem-1976	1	4	and	and	CCONJ
eurjchem-1976	1	5	docking	docking	NOUN
eurjchem-1976	1	6	studies	study	NOUN
eurjchem-1976	1	7	of	of	ADP
eurjchem-1976	1	8	pyrazole	pyrazole	NOUN
eurjchem-1976	1	9	analogs	analog	NOUN
eurjchem-1976	1	10	as	as	ADP
eurjchem-1976	1	11	potential	potential	ADJ
eurjchem-1976	1	12	autophagy	autophagy	ADJ
eurjchem-1976	1	13	modulators	modulator	NOUN
eurjchem-1976	1	14	against	against	ADP
eurjchem-1976	1	15	pancreatic	pancreatic	ADJ
eurjchem-1976	1	16	cancer	cancer	NOUN
eurjchem-1976	1	17	cell	cell	NOUN
eurjchem-1976	1	18	line	line	NOUN
eurjchem-1976	1	19	mia	mia	PROPN
eurjchem-1976	1	20	paca-2	paca-2	PROPN
eurjchem-1976	1	21	european	european	PROPN
eurjchem-1976	1	22	journal	journal	PROPN
eurjchem-1976	1	23	of	of	ADP
eurjchem-1976	1	24	chemistry	chemistry	NOUN
eurjchem-1976	1	25	11	11	NUM
eurjchem-1976	1	26	(	(	PUNCT
eurjchem-1976	1	27	3	3	NUM
eurjchem-1976	1	28	)	)	PUNCT
eurjchem-1976	1	29	(	(	PUNCT
eurjchem-1976	1	30	2020	2020	NUM
eurjchem-1976	1	31	)	)	PUNCT
eurjchem-1976	1	32	187	187	NUM
eurjchem-1976	1	33	-	-	SYM
eurjchem-1976	1	34	193	193	NUM
eurjchem-1976	1	35	european	european	ADJ
eurjchem-1976	1	36	journal	journal	NOUN
eurjchem-1976	1	37	of	of	ADP
eurjchem-1976	1	38	chemistry	chemistry	NOUN
eurjchem-1976	1	39	issn	issn	VERB
eurjchem-1976	1	40	2153	2153	NUM
eurjchem-1976	1	41	-	-	SYM
eurjchem-1976	1	42	2249	2249	NUM
eurjchem-1976	1	43	(	(	PUNCT
eurjchem-1976	1	44	print	print	NOUN
eurjchem-1976	1	45	)	)	PUNCT
eurjchem-1976	1	46	/	/	PUNCT
eurjchem-1976	1	47	issn	issn	PROPN
eurjchem-1976	1	48	2153	2153	NUM
eurjchem-1976	1	49	-	-	SYM
eurjchem-1976	1	50	2257	2257	NUM
eurjchem-1976	1	51	(	(	PUNCT
eurjchem-1976	1	52	online	online	ADJ
eurjchem-1976	1	53	)	)	PUNCT
eurjchem-1976	1	54	–	–	PUNCT
eurjchem-1976	2	1	copyright	copyright	NOUN
eurjchem-1976	2	2	©	©	PROPN
eurjchem-1976	2	3	2020	2020	NUM
eurjchem-1976	2	4	the	the	DET
eurjchem-1976	2	5	authors	author	NOUN
eurjchem-1976	2	6	–	–	PUNCT
eurjchem-1976	2	7	atlanta	atlanta	PROPN
eurjchem-1976	2	8	publishing	publishing	PROPN
eurjchem-1976	2	9	house	house	PROPN
eurjchem-1976	2	10	llc	llc	PROPN
eurjchem-1976	2	11	–	–	PUNCT
eurjchem-1976	2	12	printed	print	VERB
eurjchem-1976	2	13	in	in	ADP
eurjchem-1976	2	14	the	the	DET
eurjchem-1976	2	15	usa	usa	PROPN
eurjchem-1976	2	16	.	.	PUNCT
eurjchem-1976	3	1	this	this	DET
eurjchem-1976	3	2	work	work	NOUN
eurjchem-1976	3	3	is	be	AUX
eurjchem-1976	3	4	published	publish	VERB
eurjchem-1976	3	5	and	and	CCONJ
eurjchem-1976	3	6	licensed	license	VERB
eurjchem-1976	3	7	by	by	ADP
eurjchem-1976	3	8	atlanta	atlanta	PROPN
eurjchem-1976	3	9	publishing	publishing	PROPN
eurjchem-1976	3	10	house	house	PROPN
eurjchem-1976	3	11	llc	llc	PROPN
eurjchem-1976	3	12	–	–	PUNCT
eurjchem-1976	3	13	cc	cc	PROPN
eurjchem-1976	3	14	by	by	ADP
eurjchem-1976	3	15	nc	nc	PROPN
eurjchem-1976	3	16	–	–	PUNCT
eurjchem-1976	3	17	some	some	DET
eurjchem-1976	3	18	rights	right	NOUN
eurjchem-1976	3	19	reserved	reserve	VERB
eurjchem-1976	3	20	.	.	PUNCT
eurjchem-1976	4	1	http://dx.doi.org/10.5155/eurjchem.11.3.187-193.1976	http://dx.doi.org/10.5155/eurjchem.11.3.187-193.1976	PROPN
eurjchem-1976	4	2	european	european	PROPN
eurjchem-1976	4	3	journal	journal	PROPN
eurjchem-1976	4	4	of	of	ADP
eurjchem-1976	4	5	chemistry	chemistry	NOUN
eurjchem-1976	4	6	view	view	NOUN
eurjchem-1976	4	7	journal	journal	PROPN
eurjchem-1976	4	8	online	online	PROPN
eurjchem-1976	4	9	view	view	NOUN
eurjchem-1976	4	10	article	article	NOUN
eurjchem-1976	4	11	online	online	ADV
eurjchem-1976	4	12	in	in	ADP
eurjchem-1976	4	13	silico	silico	NOUN
eurjchem-1976	4	14	evaluation	evaluation	NOUN
eurjchem-1976	4	15	and	and	CCONJ
eurjchem-1976	4	16	docking	docking	NOUN
eurjchem-1976	4	17	studies	study	NOUN
eurjchem-1976	4	18	of	of	ADP
eurjchem-1976	4	19	pyrazole	pyrazole	NOUN
eurjchem-1976	4	20	analogs	analog	NOUN
eurjchem-1976	4	21	as	as	ADP
eurjchem-1976	4	22	potential	potential	ADJ
eurjchem-1976	4	23	autophagy	autophagy	ADJ
eurjchem-1976	4	24	modulators	modulator	NOUN
eurjchem-1976	4	25	against	against	ADP
eurjchem-1976	4	26	pancreatic	pancreatic	ADJ
eurjchem-1976	4	27	cancer	cancer	NOUN
eurjchem-1976	4	28	cell	cell	NOUN
eurjchem-1976	4	29	line	line	NOUN
eurjchem-1976	5	1	mia	mia	PROPN
eurjchem-1976	5	2	paca-2	paca-2	PROPN
eurjchem-1976	6	1	hiba	hiba	PROPN
eurjchem-1976	6	2	hashim	hashim	PROPN
eurjchem-1976	6	3	mahgoub	mahgoub	PROPN
eurjchem-1976	6	4	mohamed	mohamed	PROPN
eurjchem-1976	6	5	1,2	1,2	NUM
eurjchem-1976	6	6	,	,	PUNCT
eurjchem-1976	6	7	*	*	SYM
eurjchem-1976	6	8	,	,	PUNCT
eurjchem-1976	6	9	amna	amna	PROPN
eurjchem-1976	6	10	bint	bint	PROPN
eurjchem-1976	6	11	wahab	wahab	PROPN
eurjchem-1976	6	12	elrashid	elrashid	PROPN
eurjchem-1976	6	13	mohammed	mohammed	PROPN
eurjchem-1976	6	14	hussien	hussien	PROPN
eurjchem-1976	6	15	3	3	NUM
eurjchem-1976	6	16	and	and	CCONJ
eurjchem-1976	6	17	ahmed	ahmed	PROPN
eurjchem-1976	6	18	elsadig	elsadig	PROPN
eurjchem-1976	6	19	mohammed	mohammed	PROPN
eurjchem-1976	6	20	saeed	saeed	PROPN
eurjchem-1976	6	21	1	1	NUM
eurjchem-1976	6	22	1	1	NUM
eurjchem-1976	6	23	department	department	NOUN
eurjchem-1976	6	24	of	of	ADP
eurjchem-1976	6	25	chemistry	chemistry	NOUN
eurjchem-1976	6	26	,	,	PUNCT
eurjchem-1976	6	27	college	college	NOUN
eurjchem-1976	6	28	of	of	ADP
eurjchem-1976	6	29	science	science	PROPN
eurjchem-1976	6	30	,	,	PUNCT
eurjchem-1976	6	31	sudan	sudan	PROPN
eurjchem-1976	6	32	university	university	PROPN
eurjchem-1976	6	33	of	of	ADP
eurjchem-1976	6	34	science	science	NOUN
eurjchem-1976	6	35	and	and	CCONJ
eurjchem-1976	6	36	technology	technology	NOUN
eurjchem-1976	6	37	,	,	PUNCT
eurjchem-1976	6	38	2288	2288	NUM
eurjchem-1976	6	39	,	,	PUNCT
eurjchem-1976	6	40	khartoum	khartoum	PROPN
eurjchem-1976	6	41	,	,	PUNCT
eurjchem-1976	6	42	sudan	sudan	PROPN
eurjchem-1976	6	43	hibahashim.m@hotmail.com	hibahashim.m@hotmail.com	PROPN
eurjchem-1976	6	44	(	(	PUNCT
eurjchem-1976	6	45	h.h.m.m	h.h.m.m	PROPN
eurjchem-1976	6	46	.	.	PROPN
eurjchem-1976	6	47	)	)	PUNCT
eurjchem-1976	6	48	;	;	PUNCT
eurjchem-1976	7	1	aemsaeed@gmail.com	aemsaeed@gmail.com	X
eurjchem-1976	7	2	(	(	PUNCT
eurjchem-1976	7	3	a.e.m.s	a.e.m.s	PROPN
eurjchem-1976	7	4	.	.	PUNCT
eurjchem-1976	7	5	)	)	PUNCT
eurjchem-1976	8	1	2	2	NUM
eurjchem-1976	8	2	department	department	NOUN
eurjchem-1976	8	3	of	of	ADP
eurjchem-1976	8	4	chemistry	chemistry	NOUN
eurjchem-1976	8	5	,	,	PUNCT
eurjchem-1976	8	6	ibn	ibn	PROPN
eurjchem-1976	8	7	sina	sina	PROPN
eurjchem-1976	8	8	university	university	PROPN
eurjchem-1976	8	9	,	,	PUNCT
eurjchem-1976	8	10	10995	10995	NUM
eurjchem-1976	8	11	,	,	PUNCT
eurjchem-1976	8	12	khartoum	khartoum	PROPN
eurjchem-1976	8	13	,	,	PUNCT
eurjchem-1976	8	14	sudan	sudan	PROPN
eurjchem-1976	8	15	3	3	NUM
eurjchem-1976	8	16	college	college	NOUN
eurjchem-1976	8	17	of	of	ADP
eurjchem-1976	8	18	animal	animal	NOUN
eurjchem-1976	8	19	production	production	NOUN
eurjchem-1976	8	20	science	science	NOUN
eurjchem-1976	8	21	and	and	CCONJ
eurjchem-1976	8	22	technology	technology	NOUN
eurjchem-1976	8	23	,	,	PUNCT
eurjchem-1976	8	24	sudan	sudan	PROPN
eurjchem-1976	8	25	university	university	PROPN
eurjchem-1976	8	26	of	of	ADP
eurjchem-1976	8	27	science	science	NOUN
eurjchem-1976	8	28	and	and	CCONJ
eurjchem-1976	8	29	technology	technology	NOUN
eurjchem-1976	8	30	,	,	PUNCT
eurjchem-1976	8	31	2288	2288	NUM
eurjchem-1976	8	32	,	,	PUNCT
eurjchem-1976	8	33	khartoum	khartoum	PROPN
eurjchem-1976	8	34	,	,	PUNCT
eurjchem-1976	8	35	sudan	sudan	PROPN
eurjchem-1976	8	36	amnaelrasheed@gmail.com	amnaelrasheed@gmail.com	PROPN
eurjchem-1976	8	37	(	(	PUNCT
eurjchem-1976	8	38	a.b.w.e.m.h	a.b.w.e.m.h	PROPN
eurjchem-1976	8	39	.	.	PUNCT
eurjchem-1976	8	40	)	)	PUNCT
eurjchem-1976	9	1	*	*	PUNCT
eurjchem-1976	9	2	corresponding	correspond	VERB
eurjchem-1976	9	3	author	author	NOUN
eurjchem-1976	9	4	at	at	ADP
eurjchem-1976	9	5	:	:	PUNCT
eurjchem-1976	9	6	department	department	NOUN
eurjchem-1976	9	7	of	of	ADP
eurjchem-1976	9	8	chemistry	chemistry	NOUN
eurjchem-1976	9	9	,	,	PUNCT
eurjchem-1976	9	10	college	college	NOUN
eurjchem-1976	9	11	of	of	ADP
eurjchem-1976	9	12	science	science	PROPN
eurjchem-1976	9	13	,	,	PUNCT
eurjchem-1976	9	14	sudan	sudan	PROPN
eurjchem-1976	9	15	university	university	PROPN
eurjchem-1976	9	16	of	of	ADP
eurjchem-1976	9	17	science	science	NOUN
eurjchem-1976	9	18	and	and	CCONJ
eurjchem-1976	9	19	technology	technology	NOUN
eurjchem-1976	9	20	,	,	PUNCT
eurjchem-1976	9	21	2288	2288	NUM
eurjchem-1976	9	22	,	,	PUNCT
eurjchem-1976	9	23	khartoum	khartoum	PROPN
eurjchem-1976	9	24	,	,	PUNCT
eurjchem-1976	9	25	sudan	sudan	PROPN
eurjchem-1976	9	26	.	.	PUNCT
eurjchem-1976	10	1	e	e	X
eurjchem-1976	10	2	-	-	NOUN
eurjchem-1976	10	3	mail	mail	NOUN
eurjchem-1976	10	4	:	:	PUNCT
eurjchem-1976	10	5	hibahashim.m@hotmail.com	hibahashim.m@hotmail.com	PROPN
eurjchem-1976	10	6	(	(	PUNCT
eurjchem-1976	10	7	h.h.m	h.h.m	PROPN
eurjchem-1976	10	8	.	.	PROPN
eurjchem-1976	10	9	mohamed	mohamed	PROPN
eurjchem-1976	10	10	)	)	PUNCT
eurjchem-1976	10	11	.	.	PUNCT
eurjchem-1976	11	1	10.5155	10.5155	NUM
eurjchem-1976	11	2	/	/	SYM
eurjchem-1976	11	3	eurjchem.11.3.187	eurjchem.11.3.187	NUM
eurjchem-1976	11	4	-	-	PUNCT
eurjchem-1976	11	5	193.1976	193.1976	NOUN
eurjchem-1976	11	6	received	receive	VERB
eurjchem-1976	11	7	:	:	PUNCT
eurjchem-1976	11	8	28	28	NUM
eurjchem-1976	11	9	february	february	NOUN
eurjchem-1976	11	10	2020	2020	NUM
eurjchem-1976	11	11	received	receive	VERB
eurjchem-1976	11	12	in	in	ADP
eurjchem-1976	11	13	revised	revise	VERB
eurjchem-1976	11	14	form	form	NOUN
eurjchem-1976	11	15	:	:	PUNCT
eurjchem-1976	11	16	30	30	NUM
eurjchem-1976	11	17	may	may	AUX
eurjchem-1976	11	18	2020	2020	NUM
eurjchem-1976	11	19	accepted	accept	VERB
eurjchem-1976	11	20	:	:	PUNCT
eurjchem-1976	11	21	17	17	NUM
eurjchem-1976	11	22	june	june	PROPN
eurjchem-1976	11	23	2020	2020	NUM
eurjchem-1976	11	24	published	publish	VERB
eurjchem-1976	11	25	online	online	ADV
eurjchem-1976	11	26	:	:	PUNCT
eurjchem-1976	11	27	30	30	NUM
eurjchem-1976	11	28	september	september	PROPN
eurjchem-1976	11	29	2020	2020	NUM
eurjchem-1976	11	30	printed	print	VERB
eurjchem-1976	11	31	:	:	PUNCT
eurjchem-1976	11	32	30	30	NUM
eurjchem-1976	11	33	september	september	PROPN
eurjchem-1976	11	34	2020	2020	NUM
eurjchem-1976	11	35	a	a	DET
eurjchem-1976	11	36	quantitative	quantitative	ADJ
eurjchem-1976	11	37	structure	structure	NOUN
eurjchem-1976	11	38	activity	activity	NOUN
eurjchem-1976	11	39	relationship	relationship	NOUN
eurjchem-1976	11	40	(	(	PUNCT
eurjchem-1976	11	41	qsar	qsar	NOUN
eurjchem-1976	11	42	)	)	PUNCT
eurjchem-1976	11	43	model	model	NOUN
eurjchem-1976	11	44	for	for	ADP
eurjchem-1976	11	45	a	a	DET
eurjchem-1976	11	46	series	series	NOUN
eurjchem-1976	11	47	of	of	ADP
eurjchem-1976	11	48	n-(1	n-(1	PROPN
eurjchem-1976	11	49	-	-	PUNCT
eurjchem-1976	11	50	benzyl-3,5dimethyl-1h	benzyl-3,5dimethyl-1h	NOUN
eurjchem-1976	11	51	-	-	PUNCT
eurjchem-1976	11	52	pyrazole-4	pyrazole-4	NOUN
eurjchem-1976	11	53	-	-	PUNCT
eurjchem-1976	11	54	yl	yl	NOUN
eurjchem-1976	11	55	)	)	PUNCT
eurjchem-1976	11	56	benzamide	benzamide	VERB
eurjchem-1976	11	57	derivatives	derivative	NOUN
eurjchem-1976	11	58	having	have	VERB
eurjchem-1976	11	59	autophagy	autophagy	VERB
eurjchem-1976	11	60	inhibitory	inhibitory	ADJ
eurjchem-1976	11	61	activities	activity	NOUN
eurjchem-1976	11	62	as	as	SCONJ
eurjchem-1976	11	63	potent	potent	ADJ
eurjchem-1976	11	64	anticancer	anticancer	NOUN
eurjchem-1976	11	65	agents	agent	NOUN
eurjchem-1976	11	66	was	be	AUX
eurjchem-1976	11	67	developed	develop	VERB
eurjchem-1976	11	68	by	by	ADP
eurjchem-1976	11	69	the	the	DET
eurjchem-1976	11	70	multiple	multiple	ADJ
eurjchem-1976	11	71	linear	linear	NOUN
eurjchem-1976	11	72	regressions	regression	NOUN
eurjchem-1976	11	73	(	(	PUNCT
eurjchem-1976	11	74	mlr	mlr	NOUN
eurjchem-1976	11	75	)	)	PUNCT
eurjchem-1976	11	76	method	method	NOUN
eurjchem-1976	11	77	.	.	PUNCT
eurjchem-1976	12	1	in	in	ADP
eurjchem-1976	12	2	this	this	DET
eurjchem-1976	12	3	study	study	NOUN
eurjchem-1976	12	4	,	,	PUNCT
eurjchem-1976	12	5	previous	previous	ADJ
eurjchem-1976	12	6	compounds	compound	NOUN
eurjchem-1976	12	7	were	be	AUX
eurjchem-1976	12	8	used	use	VERB
eurjchem-1976	12	9	in	in	ADP
eurjchem-1976	12	10	the	the	DET
eurjchem-1976	12	11	model	model	NOUN
eurjchem-1976	12	12	development	development	NOUN
eurjchem-1976	12	13	were	be	AUX
eurjchem-1976	12	14	divided	divide	VERB
eurjchem-1976	12	15	into	into	ADP
eurjchem-1976	12	16	a	a	DET
eurjchem-1976	12	17	set	set	NOUN
eurjchem-1976	12	18	of	of	ADP
eurjchem-1976	12	19	fifteen	fifteen	NUM
eurjchem-1976	12	20	compounds	compound	NOUN
eurjchem-1976	12	21	as	as	ADP
eurjchem-1976	12	22	training	training	NOUN
eurjchem-1976	12	23	set	set	NOUN
eurjchem-1976	12	24	and	and	CCONJ
eurjchem-1976	12	25	set	set	NOUN
eurjchem-1976	12	26	of	of	ADP
eurjchem-1976	12	27	four	four	NUM
eurjchem-1976	12	28	compounds	compound	NOUN
eurjchem-1976	12	29	as	as	ADP
eurjchem-1976	12	30	test	test	NOUN
eurjchem-1976	12	31	set	set	VERB
eurjchem-1976	12	32	.	.	PUNCT
eurjchem-1976	13	1	a	a	DET
eurjchem-1976	13	2	model	model	NOUN
eurjchem-1976	13	3	with	with	ADP
eurjchem-1976	13	4	high	high	ADJ
eurjchem-1976	13	5	prediction	prediction	NOUN
eurjchem-1976	13	6	ability	ability	NOUN
eurjchem-1976	13	7	and	and	CCONJ
eurjchem-1976	13	8	high	high	ADJ
eurjchem-1976	13	9	correlation	correlation	NOUN
eurjchem-1976	13	10	coefficients	coefficient	NOUN
eurjchem-1976	13	11	was	be	AUX
eurjchem-1976	13	12	obtained	obtain	VERB
eurjchem-1976	13	13	.	.	PUNCT
eurjchem-1976	14	1	this	this	DET
eurjchem-1976	14	2	model	model	NOUN
eurjchem-1976	14	3	showed	show	VERB
eurjchem-1976	14	4	r	r	NOUN
eurjchem-1976	14	5	=	=	SYM
eurjchem-1976	14	6	0.968	0.968	NUM
eurjchem-1976	14	7	,	,	PUNCT
eurjchem-1976	14	8	r2	r2	PROPN
eurjchem-1976	14	9	=	=	PROPN
eurjchem-1976	14	10	0.937	0.937	NUM
eurjchem-1976	14	11	and	and	CCONJ
eurjchem-1976	14	12	q2	q2	NOUN
eurjchem-1976	14	13	=	=	PROPN
eurjchem-1976	14	14	0.880	0.880	NUM
eurjchem-1976	14	15	,	,	PUNCT
eurjchem-1976	14	16	the	the	DET
eurjchem-1976	14	17	qsar	qsar	NOUN
eurjchem-1976	14	18	model	model	NOUN
eurjchem-1976	14	19	was	be	AUX
eurjchem-1976	14	20	also	also	ADV
eurjchem-1976	14	21	employed	employ	VERB
eurjchem-1976	14	22	to	to	PART
eurjchem-1976	14	23	predict	predict	VERB
eurjchem-1976	14	24	the	the	DET
eurjchem-1976	14	25	experimental	experimental	ADJ
eurjchem-1976	14	26	compounds	compound	NOUN
eurjchem-1976	14	27	in	in	ADP
eurjchem-1976	14	28	an	an	DET
eurjchem-1976	14	29	external	external	ADJ
eurjchem-1976	14	30	test	test	NOUN
eurjchem-1976	14	31	set	set	NOUN
eurjchem-1976	14	32	,	,	PUNCT
eurjchem-1976	14	33	and	and	CCONJ
eurjchem-1976	14	34	to	to	PART
eurjchem-1976	14	35	predict	predict	VERB
eurjchem-1976	14	36	the	the	DET
eurjchem-1976	14	37	activity	activity	NOUN
eurjchem-1976	14	38	of	of	ADP
eurjchem-1976	14	39	a	a	DET
eurjchem-1976	14	40	new	new	ADJ
eurjchem-1976	14	41	designed	design	VERB
eurjchem-1976	14	42	set	set	NOUN
eurjchem-1976	14	43	of	of	ADP
eurjchem-1976	14	44	3,5	3,5	NUM
eurjchem-1976	14	45	-	-	PUNCT
eurjchem-1976	14	46	dimethyl-4	dimethyl-4	NOUN
eurjchem-1976	14	47	-	-	PUNCT
eurjchem-1976	14	48	substituted	substitute	VERB
eurjchem-1976	14	49	-	-	PUNCT
eurjchem-1976	14	50	pyrazole	pyrazole	NOUN
eurjchem-1976	14	51	derivatives	derivative	NOUN
eurjchem-1976	14	52	(	(	PUNCT
eurjchem-1976	14	53	1	1	NUM
eurjchem-1976	14	54	-	-	SYM
eurjchem-1976	14	55	15	15	NUM
eurjchem-1976	14	56	)	)	PUNCT
eurjchem-1976	14	57	,	,	PUNCT
eurjchem-1976	14	58	result	result	NOUN
eurjchem-1976	14	59	showed	show	VERB
eurjchem-1976	14	60	that	that	SCONJ
eurjchem-1976	14	61	compound	compound	NOUN
eurjchem-1976	14	62	3	3	NUM
eurjchem-1976	14	63	has	have	VERB
eurjchem-1976	14	64	the	the	DET
eurjchem-1976	14	65	most	most	ADV
eurjchem-1976	14	66	promising	promising	ADJ
eurjchem-1976	14	67	inhibition	inhibition	NOUN
eurjchem-1976	14	68	activity	activity	NOUN
eurjchem-1976	14	69	(	(	PUNCT
eurjchem-1976	14	70	ec50	ec50	PROPN
eurjchem-1976	14	71	=	=	PUNCT
eurjchem-1976	14	72	0.869	0.869	NUM
eurjchem-1976	14	73	μm	μm	NUM
eurjchem-1976	14	74	)	)	PUNCT
eurjchem-1976	14	75	against	against	ADP
eurjchem-1976	14	76	human	human	ADJ
eurjchem-1976	14	77	pancreatic	pancreatic	ADJ
eurjchem-1976	14	78	ductal	ductal	ADJ
eurjchem-1976	14	79	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-1976	14	80	cell	cell	NOUN
eurjchem-1976	14	81	mia	mia	PROPN
eurjchem-1976	14	82	paca-2	paca-2	NUM
eurjchem-1976	14	83	compared	compare	VERB
eurjchem-1976	14	84	to	to	ADP
eurjchem-1976	14	85	the	the	DET
eurjchem-1976	14	86	reference	reference	NOUN
eurjchem-1976	14	87	chloroquine	chloroquine	NOUN
eurjchem-1976	14	88	with	with	ADP
eurjchem-1976	14	89	(	(	PUNCT
eurjchem-1976	14	90	ec50	ec50	PROPN
eurjchem-1976	14	91	=	=	PUNCT
eurjchem-1976	14	92	14	14	NUM
eurjchem-1976	14	93	μm	μm	NUM
eurjchem-1976	14	94	)	)	PUNCT
eurjchem-1976	14	95	.	.	PUNCT
eurjchem-1976	15	1	thus	thus	ADV
eurjchem-1976	15	2	,	,	PUNCT
eurjchem-1976	15	3	the	the	DET
eurjchem-1976	15	4	model	model	NOUN
eurjchem-1976	15	5	showed	show	VERB
eurjchem-1976	15	6	good	good	ADJ
eurjchem-1976	15	7	correlative	correlative	ADJ
eurjchem-1976	15	8	and	and	CCONJ
eurjchem-1976	15	9	predictive	predictive	ADJ
eurjchem-1976	15	10	ability	ability	NOUN
eurjchem-1976	15	11	.	.	PUNCT
eurjchem-1976	16	1	docking	dock	VERB
eurjchem-1976	16	2	studies	study	NOUN
eurjchem-1976	16	3	was	be	AUX
eurjchem-1976	16	4	performed	perform	VERB
eurjchem-1976	16	5	for	for	ADP
eurjchem-1976	16	6	designed	design	VERB
eurjchem-1976	16	7	compounds	compound	NOUN
eurjchem-1976	16	8	,	,	PUNCT
eurjchem-1976	16	9	docking	dock	VERB
eurjchem-1976	16	10	analysis	analysis	NOUN
eurjchem-1976	16	11	showed	show	VERB
eurjchem-1976	16	12	the	the	DET
eurjchem-1976	16	13	best	good	ADJ
eurjchem-1976	16	14	compound	compound	NOUN
eurjchem-1976	16	15	1	1	NUM
eurjchem-1976	16	16	with	with	ADP
eurjchem-1976	16	17	high	high	ADJ
eurjchem-1976	16	18	docking	docking	NOUN
eurjchem-1976	16	19	affinity	affinity	NOUN
eurjchem-1976	16	20	of	of	ADP
eurjchem-1976	16	21	-24.8616	-24.8616	PUNCT
eurjchem-1976	16	22	kcal	kcal	PROPN
eurjchem-1976	16	23	/	/	SYM
eurjchem-1976	16	24	mol	mol	PROPN
eurjchem-1976	16	25	.	.	PROPN
eurjchem-1976	16	26	qsar	qsar	PROPN
eurjchem-1976	16	27	cancer	cancer	NOUN
eurjchem-1976	16	28	autophagy	autophagy	NOUN
eurjchem-1976	16	29	mia	mia	PROPN
eurjchem-1976	16	30	paca-2	paca-2	PROPN
eurjchem-1976	16	31	molecular	molecular	ADJ
eurjchem-1976	16	32	modeling	modeling	NOUN
eurjchem-1976	16	33	autophagy	autophagy	NOUN
eurjchem-1976	16	34	inhibitions	inhibition	NOUN
eurjchem-1976	16	35	cite	cite	VERB
eurjchem-1976	16	36	this	this	PRON
eurjchem-1976	16	37	:	:	PUNCT
eurjchem-1976	16	38	eur	eur	PROPN
eurjchem-1976	16	39	.	.	PUNCT
eurjchem-1976	17	1	j.	j.	PROPN
eurjchem-1976	17	2	chem	chem	PROPN
eurjchem-1976	17	3	.	.	PUNCT
eurjchem-1976	18	1	2020	2020	NUM
eurjchem-1976	18	2	,	,	PUNCT
eurjchem-1976	18	3	11(3	11(3	NUM
eurjchem-1976	18	4	)	)	PUNCT
eurjchem-1976	18	5	,	,	PUNCT
eurjchem-1976	18	6	187	187	NUM
eurjchem-1976	18	7	-	-	SYM
eurjchem-1976	18	8	193	193	NUM
eurjchem-1976	18	9	journal	journal	NOUN
eurjchem-1976	18	10	website	website	NOUN
eurjchem-1976	18	11	:	:	PUNCT
eurjchem-1976	18	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-1976	18	13	1	1	X
eurjchem-1976	18	14	.	.	PUNCT
eurjchem-1976	19	1	introduction	introduction	NOUN
eurjchem-1976	19	2	autophagy	autophagy	NOUN
eurjchem-1976	19	3	is	be	AUX
eurjchem-1976	19	4	a	a	DET
eurjchem-1976	19	5	conserved	conserved	ADJ
eurjchem-1976	19	6	intracellular	intracellular	ADJ
eurjchem-1976	19	7	degradation	degradation	NOUN
eurjchem-1976	19	8	process	process	NOUN
eurjchem-1976	19	9	that	that	PRON
eurjchem-1976	19	10	delivers	deliver	VERB
eurjchem-1976	19	11	substrates	substrate	NOUN
eurjchem-1976	19	12	including	include	VERB
eurjchem-1976	19	13	bulk	bulk	ADJ
eurjchem-1976	19	14	cytoplasm	cytoplasm	NOUN
eurjchem-1976	19	15	,	,	PUNCT
eurjchem-1976	19	16	organelles	organelle	NOUN
eurjchem-1976	19	17	,	,	PUNCT
eurjchem-1976	19	18	aggregate	aggregate	ADJ
eurjchem-1976	19	19	-	-	PUNCT
eurjchem-1976	19	20	prone	prone	ADJ
eurjchem-1976	19	21	proteins	protein	NOUN
eurjchem-1976	19	22	,	,	PUNCT
eurjchem-1976	19	23	and	and	CCONJ
eurjchem-1976	19	24	infectious	infectious	ADJ
eurjchem-1976	19	25	agents	agent	NOUN
eurjchem-1976	19	26	to	to	ADP
eurjchem-1976	19	27	lysosomes	lysosome	NOUN
eurjchem-1976	19	28	[	[	X
eurjchem-1976	19	29	1,2	1,2	NUM
eurjchem-1976	19	30	]	]	PUNCT
eurjchem-1976	19	31	,	,	PUNCT
eurjchem-1976	19	32	it	it	PRON
eurjchem-1976	19	33	is	be	AUX
eurjchem-1976	19	34	induced	induce	VERB
eurjchem-1976	19	35	under	under	ADP
eurjchem-1976	19	36	various	various	ADJ
eurjchem-1976	19	37	conditions	condition	NOUN
eurjchem-1976	19	38	of	of	ADP
eurjchem-1976	19	39	cellular	cellular	ADJ
eurjchem-1976	19	40	stress	stress	NOUN
eurjchem-1976	19	41	,	,	PUNCT
eurjchem-1976	19	42	which	which	PRON
eurjchem-1976	19	43	prevents	prevent	VERB
eurjchem-1976	19	44	cell	cell	NOUN
eurjchem-1976	19	45	damage	damage	NOUN
eurjchem-1976	19	46	and	and	CCONJ
eurjchem-1976	19	47	promotes	promote	VERB
eurjchem-1976	19	48	survival	survival	NOUN
eurjchem-1976	19	49	in	in	ADP
eurjchem-1976	19	50	the	the	DET
eurjchem-1976	19	51	event	event	NOUN
eurjchem-1976	19	52	of	of	ADP
eurjchem-1976	19	53	energy	energy	NOUN
eurjchem-1976	19	54	or	or	CCONJ
eurjchem-1976	19	55	nutrient	nutrient	NOUN
eurjchem-1976	19	56	shortage	shortage	NOUN
eurjchem-1976	19	57	.	.	PUNCT
eurjchem-1976	20	1	there	there	PRON
eurjchem-1976	20	2	are	be	VERB
eurjchem-1976	20	3	three	three	NUM
eurjchem-1976	20	4	types	type	NOUN
eurjchem-1976	20	5	of	of	ADP
eurjchem-1976	20	6	autophagy	autophagy	NOUN
eurjchem-1976	20	7	:	:	PUNCT
eurjchem-1976	20	8	macroautophagy	macroautophagy	ADJ
eurjchem-1976	21	1	[	[	X
eurjchem-1976	21	2	3	3	NUM
eurjchem-1976	21	3	]	]	PUNCT
eurjchem-1976	21	4	,	,	PUNCT
eurjchem-1976	21	5	microautophagy	microautophagy	ADJ
eurjchem-1976	21	6	[	[	X
eurjchem-1976	21	7	4	4	NUM
eurjchem-1976	21	8	]	]	PUNCT
eurjchem-1976	21	9	and	and	CCONJ
eurjchem-1976	21	10	chaperone	chaperone	NOUN
eurjchem-1976	21	11	-	-	PUNCT
eurjchem-1976	21	12	mediated	mediate	VERB
eurjchem-1976	21	13	autophagy	autophagy	NOUN
eurjchem-1976	21	14	(	(	PUNCT
eurjchem-1976	21	15	cma	cma	NOUN
eurjchem-1976	21	16	)	)	PUNCT
eurjchem-1976	22	1	[	[	X
eurjchem-1976	22	2	5	5	NUM
eurjchem-1976	22	3	]	]	PUNCT
eurjchem-1976	22	4	.	.	PUNCT
eurjchem-1976	23	1	the	the	DET
eurjchem-1976	23	2	molecular	molecular	ADJ
eurjchem-1976	23	3	mechanism	mechanism	NOUN
eurjchem-1976	23	4	of	of	ADP
eurjchem-1976	23	5	autophagy	autophagy	NOUN
eurjchem-1976	23	6	involves	involve	VERB
eurjchem-1976	23	7	several	several	ADJ
eurjchem-1976	23	8	conserved	conserve	VERB
eurjchem-1976	23	9	atg	atg	NOUN
eurjchem-1976	23	10	(	(	PUNCT
eurjchem-1976	23	11	autophagy	autophagy	ADV
eurjchem-1976	23	12	-	-	PUNCT
eurjchem-1976	23	13	related	relate	VERB
eurjchem-1976	23	14	)	)	PUNCT
eurjchem-1976	23	15	proteins	protein	NOUN
eurjchem-1976	23	16	,	,	PUNCT
eurjchem-1976	23	17	various	various	ADJ
eurjchem-1976	23	18	stimuli	stimulus	NOUN
eurjchem-1976	23	19	lead	lead	VERB
eurjchem-1976	23	20	to	to	ADP
eurjchem-1976	23	21	the	the	DET
eurjchem-1976	23	22	formation	formation	NOUN
eurjchem-1976	23	23	of	of	ADP
eurjchem-1976	23	24	the	the	DET
eurjchem-1976	23	25	phagophore	phagophore	NOUN
eurjchem-1976	23	26	,	,	PUNCT
eurjchem-1976	23	27	the	the	DET
eurjchem-1976	23	28	elongation	elongation	NOUN
eurjchem-1976	23	29	of	of	ADP
eurjchem-1976	23	30	the	the	DET
eurjchem-1976	23	31	phagophore	phagophore	ADJ
eurjchem-1976	23	32	results	result	NOUN
eurjchem-1976	23	33	in	in	ADP
eurjchem-1976	23	34	the	the	DET
eurjchem-1976	23	35	formation	formation	NOUN
eurjchem-1976	23	36	of	of	ADP
eurjchem-1976	23	37	the	the	DET
eurjchem-1976	23	38	characteristic	characteristic	ADJ
eurjchem-1976	23	39	double	double	ADJ
eurjchem-1976	23	40	-	-	PUNCT
eurjchem-1976	23	41	membrane	membrane	NOUN
eurjchem-1976	23	42	autophagosome	autophagosome	NOUN
eurjchem-1976	23	43	.	.	PUNCT
eurjchem-1976	24	1	the	the	DET
eurjchem-1976	24	2	autophagosome	autophagosome	NOUN
eurjchem-1976	24	3	fuses	fuse	NOUN
eurjchem-1976	24	4	with	with	ADP
eurjchem-1976	24	5	the	the	DET
eurjchem-1976	24	6	lysosome	lysosome	NOUN
eurjchem-1976	24	7	and	and	CCONJ
eurjchem-1976	24	8	release	release	VERB
eurjchem-1976	24	9	its	its	PRON
eurjchem-1976	24	10	inner	inner	ADJ
eurjchem-1976	24	11	compartment	compartment	NOUN
eurjchem-1976	24	12	into	into	ADP
eurjchem-1976	24	13	lysosomal	lysosomal	ADJ
eurjchem-1976	24	14	lumen	luman	NOUN
eurjchem-1976	24	15	,	,	PUNCT
eurjchem-1976	24	16	after	after	ADP
eurjchem-1976	24	17	fusion	fusion	NOUN
eurjchem-1976	24	18	,	,	PUNCT
eurjchem-1976	24	19	a	a	DET
eurjchem-1976	24	20	series	series	NOUN
eurjchem-1976	24	21	of	of	ADP
eurjchem-1976	24	22	acid	acid	NOUN
eurjchem-1976	24	23	hydrolases	hydrolase	NOUN
eurjchem-1976	24	24	are	be	AUX
eurjchem-1976	24	25	involved	involve	VERB
eurjchem-1976	24	26	in	in	ADP
eurjchem-1976	24	27	degradation	degradation	NOUN
eurjchem-1976	24	28	of	of	ADP
eurjchem-1976	24	29	the	the	DET
eurjchem-1976	24	30	sequestered	sequester	VERB
eurjchem-1976	24	31	cytoplasmic	cytoplasmic	ADJ
eurjchem-1976	24	32	cargo	cargo	NOUN
eurjchem-1976	24	33	.	.	PUNCT
eurjchem-1976	25	1	the	the	DET
eurjchem-1976	25	2	small	small	ADJ
eurjchem-1976	25	3	molecules	molecule	NOUN
eurjchem-1976	25	4	resulting	result	VERB
eurjchem-1976	25	5	from	from	ADP
eurjchem-1976	25	6	the	the	DET
eurjchem-1976	25	7	degradation	degradation	NOUN
eurjchem-1976	25	8	,	,	PUNCT
eurjchem-1976	25	9	particularly	particularly	ADV
eurjchem-1976	25	10	amino	amino	ADJ
eurjchem-1976	25	11	acids	acid	NOUN
eurjchem-1976	25	12	are	be	AUX
eurjchem-1976	25	13	transported	transport	VERB
eurjchem-1976	25	14	back	back	ADV
eurjchem-1976	25	15	to	to	ADP
eurjchem-1976	25	16	the	the	DET
eurjchem-1976	25	17	cytosol	cytosol	NOUN
eurjchem-1976	25	18	for	for	ADP
eurjchem-1976	25	19	protein	protein	NOUN
eurjchem-1976	25	20	synthesis	synthesis	NOUN
eurjchem-1976	25	21	and	and	CCONJ
eurjchem-1976	25	22	maintenance	maintenance	NOUN
eurjchem-1976	25	23	of	of	ADP
eurjchem-1976	25	24	cellular	cellular	ADJ
eurjchem-1976	25	25	functions	function	NOUN
eurjchem-1976	25	26	under	under	ADP
eurjchem-1976	25	27	starvation	starvation	NOUN
eurjchem-1976	25	28	conditions	condition	NOUN
eurjchem-1976	25	29	[	[	X
eurjchem-1976	25	30	6	6	NUM
eurjchem-1976	25	31	-	-	SYM
eurjchem-1976	25	32	9	9	NUM
eurjchem-1976	25	33	]	]	PUNCT
eurjchem-1976	25	34	.	.	PUNCT
eurjchem-1976	26	1	in	in	ADP
eurjchem-1976	26	2	cancer	cancer	NOUN
eurjchem-1976	26	3	,	,	PUNCT
eurjchem-1976	26	4	the	the	DET
eurjchem-1976	26	5	role	role	NOUN
eurjchem-1976	26	6	of	of	ADP
eurjchem-1976	26	7	autophagy	autophagy	NOUN
eurjchem-1976	26	8	is	be	AUX
eurjchem-1976	26	9	highly	highly	ADV
eurjchem-1976	26	10	complex	complex	ADJ
eurjchem-1976	26	11	and	and	CCONJ
eurjchem-1976	26	12	dependent	dependent	ADJ
eurjchem-1976	26	13	on	on	ADP
eurjchem-1976	26	14	cancer	cancer	NOUN
eurjchem-1976	26	15	type	type	NOUN
eurjchem-1976	26	16	and	and	CCONJ
eurjchem-1976	26	17	stage	stage	NOUN
eurjchem-1976	26	18	[	[	X
eurjchem-1976	26	19	10	10	NUM
eurjchem-1976	26	20	]	]	PUNCT
eurjchem-1976	26	21	,	,	PUNCT
eurjchem-1976	26	22	autophagy	autophagy	NOUN
eurjchem-1976	26	23	has	have	AUX
eurjchem-1976	26	24	been	be	AUX
eurjchem-1976	26	25	shown	show	VERB
eurjchem-1976	26	26	to	to	PART
eurjchem-1976	26	27	act	act	VERB
eurjchem-1976	26	28	as	as	ADP
eurjchem-1976	26	29	a	a	DET
eurjchem-1976	26	30	tumor	tumor	NOUN
eurjchem-1976	26	31	suppressing	suppress	VERB
eurjchem-1976	26	32	to	to	PART
eurjchem-1976	26	33	constrains	constrain	VERB
eurjchem-1976	26	34	tumor	tumor	NOUN
eurjchem-1976	26	35	initiation	initiation	NOUN
eurjchem-1976	26	36	in	in	ADP
eurjchem-1976	26	37	normal	normal	ADJ
eurjchem-1976	26	38	tissue	tissue	NOUN
eurjchem-1976	26	39	,	,	PUNCT
eurjchem-1976	26	40	some	some	DET
eurjchem-1976	26	41	tumor	tumor	NOUN
eurjchem-1976	26	42	in	in	ADP
eurjchem-1976	26	43	last	last	ADJ
eurjchem-1976	26	44	stage	stage	NOUN
eurjchem-1976	26	45	of	of	ADP
eurjchem-1976	26	46	progression	progression	NOUN
eurjchem-1976	26	47	rely	rely	VERB
eurjchem-1976	26	48	on	on	ADP
eurjchem-1976	26	49	autophagy	autophagy	NOUN
eurjchem-1976	26	50	for	for	ADP
eurjchem-1976	26	51	tumor	tumor	NOUN
eurjchem-1976	26	52	promotion	promotion	NOUN
eurjchem-1976	26	53	and	and	CCONJ
eurjchem-1976	26	54	maintenance	maintenance	NOUN
eurjchem-1976	26	55	[	[	X
eurjchem-1976	26	56	11	11	NUM
eurjchem-1976	26	57	-	-	SYM
eurjchem-1976	26	58	13	13	NUM
eurjchem-1976	26	59	]	]	PUNCT
eurjchem-1976	26	60	.	.	PUNCT
eurjchem-1976	27	1	therefore	therefore	ADV
eurjchem-1976	27	2	,	,	PUNCT
eurjchem-1976	27	3	targeting	target	VERB
eurjchem-1976	27	4	autophagy	autophagy	NOUN
eurjchem-1976	27	5	and	and	CCONJ
eurjchem-1976	27	6	discovering	discover	VERB
eurjchem-1976	27	7	autophagy	autophagy	ADJ
eurjchem-1976	27	8	inhibitions	inhibition	NOUN
eurjchem-1976	27	9	and	and	CCONJ
eurjchem-1976	27	10	its	its	PRON
eurjchem-1976	27	11	modulation	modulation	NOUN
eurjchem-1976	27	12	has	have	VERB
eurjchem-1976	27	13	considerable	considerable	ADJ
eurjchem-1976	27	14	potential	potential	NOUN
eurjchem-1976	27	15	as	as	ADP
eurjchem-1976	27	16	anticancer	anticancer	NOUN
eurjchem-1976	27	17	agents	agent	NOUN
eurjchem-1976	27	18	used	use	VERB
eurjchem-1976	27	19	in	in	ADP
eurjchem-1976	27	20	therapeutic	therapeutic	ADJ
eurjchem-1976	27	21	approach	approach	NOUN
eurjchem-1976	27	22	,	,	PUNCT
eurjchem-1976	27	23	especially	especially	ADV
eurjchem-1976	27	24	in	in	ADP
eurjchem-1976	27	25	pancreatic	pancreatic	ADJ
eurjchem-1976	27	26	ductal	ductal	ADJ
eurjchem-1976	27	27	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-1976	27	28	(	(	PUNCT
eurjchem-1976	27	29	pdac	pdac	NOUN
eurjchem-1976	27	30	)	)	PUNCT
eurjchem-1976	27	31	,	,	PUNCT
eurjchem-1976	27	32	which	which	PRON
eurjchem-1976	27	33	it	it	PRON
eurjchem-1976	27	34	represents	represent	VERB
eurjchem-1976	27	35	a	a	DET
eurjchem-1976	27	36	viable	viable	ADJ
eurjchem-1976	27	37	approach	approach	NOUN
eurjchem-1976	27	38	to	to	PART
eurjchem-1976	27	39	fight	fight	VERB
eurjchem-1976	27	40	pancreatic	pancreatic	ADJ
eurjchem-1976	27	41	cancer	cancer	NOUN
eurjchem-1976	27	42	.	.	PUNCT
eurjchem-1976	28	1	quantitative	quantitative	ADJ
eurjchem-1976	28	2	structure	structure	NOUN
eurjchem-1976	28	3	activity	activity	NOUN
eurjchem-1976	28	4	relationships	relationship	NOUN
eurjchem-1976	28	5	is	be	AUX
eurjchem-1976	28	6	a	a	DET
eurjchem-1976	28	7	mathematical	mathematical	ADJ
eurjchem-1976	28	8	equation	equation	NOUN
eurjchem-1976	28	9	relating	relate	VERB
eurjchem-1976	28	10	chemical	chemical	ADJ
eurjchem-1976	28	11	structure	structure	NOUN
eurjchem-1976	28	12	with	with	ADP
eurjchem-1976	28	13	its	its	PRON
eurjchem-1976	28	14	physical	physical	ADJ
eurjchem-1976	28	15	,	,	PUNCT
eurjchem-1976	28	16	chemical	chemical	NOUN
eurjchem-1976	28	17	and	and	CCONJ
eurjchem-1976	28	18	biological	biological	ADJ
eurjchem-1976	28	19	effect	effect	NOUN
eurjchem-1976	28	20	[	[	X
eurjchem-1976	28	21	14	14	NUM
eurjchem-1976	28	22	]	]	PUNCT
eurjchem-1976	28	23	,	,	PUNCT
eurjchem-1976	28	24	qsar	qsar	NOUN
eurjchem-1976	28	25	model	model	NOUN
eurjchem-1976	28	26	is	be	AUX
eurjchem-1976	28	27	useful	useful	ADJ
eurjchem-1976	28	28	for	for	ADP
eurjchem-1976	28	29	understanding	understand	VERB
eurjchem-1976	28	30	the	the	DET
eurjchem-1976	28	31	factors	factor	NOUN
eurjchem-1976	28	32	controlling	control	VERB
eurjchem-1976	28	33	activity	activity	NOUN
eurjchem-1976	28	34	and	and	CCONJ
eurjchem-1976	28	35	for	for	ADP
eurjchem-1976	28	36	designing	design	VERB
eurjchem-1976	28	37	new	new	ADJ
eurjchem-1976	28	38	compounds	compound	NOUN
eurjchem-1976	28	39	for	for	ADP
eurjchem-1976	28	40	therapeutic	therapeutic	ADJ
eurjchem-1976	28	41	areas	area	NOUN
eurjchem-1976	28	42	[	[	X
eurjchem-1976	28	43	15	15	NUM
eurjchem-1976	28	44	-	-	SYM
eurjchem-1976	28	45	17	17	NUM
eurjchem-1976	28	46	]	]	PUNCT
eurjchem-1976	28	47	,	,	PUNCT
eurjchem-1976	28	48	it	it	PRON
eurjchem-1976	28	49	requires	require	VERB
eurjchem-1976	28	50	a	a	DET
eurjchem-1976	28	51	compound	compound	NOUN
eurjchem-1976	28	52	set	set	NOUN
eurjchem-1976	28	53	that	that	PRON
eurjchem-1976	28	54	has	have	AUX
eurjchem-1976	28	55	been	be	AUX
eurjchem-1976	28	56	tested	test	VERB
eurjchem-1976	28	57	against	against	ADP
eurjchem-1976	28	58	an	an	DET
eurjchem-1976	28	59	identified	identify	VERB
eurjchem-1976	28	60	molecular	molecular	ADJ
eurjchem-1976	28	61	target	target	NOUN
eurjchem-1976	28	62	,	,	PUNCT
eurjchem-1976	28	63	cell	cell	NOUN
eurjchem-1976	28	64	tissue	tissue	NOUN
eurjchem-1976	28	65	,	,	PUNCT
eurjchem-1976	28	66	or	or	CCONJ
eurjchem-1976	28	67	even	even	ADV
eurjchem-1976	28	68	microorganism	microorganism	NOUN
eurjchem-1976	28	69	,	,	PUNCT
eurjchem-1976	28	70	abstract	abstract	ADJ
eurjchem-1976	28	71	research	research	NOUN
eurjchem-1976	28	72	article	article	NOUN
eurjchem-1976	28	73	keywords	keyword	VERB
eurjchem-1976	28	74	http://dx.doi.org/10.5155/eurjchem.11.3.187-193.1976	http://dx.doi.org/10.5155/eurjchem.11.3.187-193.1976	NOUN
eurjchem-1976	28	75	http://www.eurjchem.com/	http://www.eurjchem.com/	NOUN
eurjchem-1976	28	76	http://dx.doi.org/10.5155/eurjchem.11.3.187-193.1976	http://dx.doi.org/10.5155/eurjchem.11.3.187-193.1976	PROPN
eurjchem-1976	28	77	mailto:hibahashim.m@hotmail.com	mailto:hibahashim.m@hotmail.com	X
eurjchem-1976	28	78	mailto:aemsaeed@gmail.com	mailto:aemsaeed@gmail.com	X
eurjchem-1976	29	1	mailto:amnaelrasheed@gmail.com	mailto:amnaelrasheed@gmail.com	X
eurjchem-1976	29	2	mailto:hibahashim.m@hotmail.com	mailto:hibahashim.m@hotmail.com	PROPN
eurjchem-1976	29	3	http://www.eurjchem.com/	http://www.eurjchem.com/	PROPN
eurjchem-1976	29	4	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.11.3.187-193.1976&domain=pdf&date_stamp=2020-09-30	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.11.3.187-193.1976&domain=pdf&date_stamp=2020-09-30	PROPN
eurjchem-1976	29	5	188	188	NUM
eurjchem-1976	29	6	mohamed	mohame	VERB
eurjchem-1976	29	7	et	et	PROPN
eurjchem-1976	29	8	al	al	PROPN
eurjchem-1976	29	9	.	.	PUNCT
eurjchem-1976	29	10	/	/	SYM
eurjchem-1976	29	11	european	european	PROPN
eurjchem-1976	29	12	journal	journal	PROPN
eurjchem-1976	29	13	of	of	ADP
eurjchem-1976	29	14	chemistry	chemistry	NOUN
eurjchem-1976	29	15	11	11	NUM
eurjchem-1976	29	16	(	(	PUNCT
eurjchem-1976	29	17	3	3	NUM
eurjchem-1976	29	18	)	)	PUNCT
eurjchem-1976	29	19	(	(	PUNCT
eurjchem-1976	29	20	2020	2020	NUM
eurjchem-1976	29	21	)	)	PUNCT
eurjchem-1976	29	22	187	187	NUM
eurjchem-1976	29	23	-	-	SYM
eurjchem-1976	29	24	193	193	NUM
eurjchem-1976	29	25	2020	2020	NUM
eurjchem-1976	29	26	–	–	PUNCT
eurjchem-1976	29	27	european	european	ADJ
eurjchem-1976	29	28	journal	journal	NOUN
eurjchem-1976	29	29	of	of	ADP
eurjchem-1976	29	30	chemistry	chemistry	NOUN
eurjchem-1976	29	31	–	–	PUNCT
eurjchem-1976	29	32	cc	cc	NOUN
eurjchem-1976	29	33	by	by	ADP
eurjchem-1976	29	34	nc	nc	PROPN
eurjchem-1976	29	35	–	–	PUNCT
eurjchem-1976	29	36	doi	doi	PROPN
eurjchem-1976	29	37	:	:	PUNCT
eurjchem-1976	29	38	10.5155	10.5155	NUM
eurjchem-1976	29	39	/	/	SYM
eurjchem-1976	29	40	eurjchem.11.3.187	eurjchem.11.3.187	NUM
eurjchem-1976	29	41	-	-	PUNCT
eurjchem-1976	29	42	193.1976	193.1976	NUM
eurjchem-1976	29	43	table	table	NOUN
eurjchem-1976	29	44	1	1	NUM
eurjchem-1976	29	45	.	.	PUNCT
eurjchem-1976	29	46	biological	biological	ADJ
eurjchem-1976	29	47	activities	activity	NOUN
eurjchem-1976	29	48	and	and	CCONJ
eurjchem-1976	29	49	structures	structure	NOUN
eurjchem-1976	29	50	of	of	ADP
eurjchem-1976	29	51	n-(1	n-(1	NOUN
eurjchem-1976	29	52	-	-	PUNCT
eurjchem-1976	29	53	benzyl-3,5	benzyl-3,5	NOUN
eurjchem-1976	29	54	-	-	PUNCT
eurjchem-1976	29	55	dimethyl-1h	dimethyl-1h	NOUN
eurjchem-1976	29	56	-	-	PUNCT
eurjchem-1976	29	57	pyrazole-4	pyrazole-4	NOUN
eurjchem-1976	29	58	-	-	PUNCT
eurjchem-1976	29	59	yl	yl	NOUN
eurjchem-1976	29	60	)	)	PUNCT
eurjchem-1976	29	61	benzamide	benzamide	NOUN
eurjchem-1976	29	62	compounds	compound	NOUN
eurjchem-1976	29	63	obtained	obtain	VERB
eurjchem-1976	29	64	from	from	ADP
eurjchem-1976	29	65	literature	literature	NOUN
eurjchem-1976	29	66	[	[	X
eurjchem-1976	29	67	22	22	NUM
eurjchem-1976	29	68	]	]	PUNCT
eurjchem-1976	29	69	.	.	PUNCT
eurjchem-1976	30	1	n	n	CCONJ
eurjchem-1976	30	2	n	n	PROPN
eurjchem-1976	30	3	ch3	ch3	PROPN
eurjchem-1976	30	4	nh	nh	PROPN
eurjchem-1976	30	5	ch3	ch3	PROPN
eurjchem-1976	30	6	o	o	PROPN
eurjchem-1976	30	7	or1	or1	PROPN
eurjchem-1976	30	8	r2	r2	PROPN
eurjchem-1976	30	9	r3	r3	PROPN
eurjchem-1976	30	10	n	n	CCONJ
eurjchem-1976	30	11	n	n	PROPN
eurjchem-1976	30	12	ch3	ch3	PROPN
eurjchem-1976	30	13	nh	nh	PROPN
eurjchem-1976	30	14	ch3	ch3	PROPN
eurjchem-1976	30	15	oo	oo	PROPN
eurjchem-1976	30	16	r1	r1	PROPN
eurjchem-1976	30	17	r2	r2	PROPN
eurjchem-1976	30	18	r3	r3	PROPN
eurjchem-1976	31	1	o	o	NOUN
eurjchem-1976	31	2	n	n	PRON
eurjchem-1976	31	3	h	h	NOUN
eurjchem-1976	31	4	h3c	h3c	VERB
eurjchem-1976	31	5	n	n	CCONJ
eurjchem-1976	31	6	n	n	PROPN
eurjchem-1976	31	7	ch3	ch3	PROPN
eurjchem-1976	31	8	nh	nh	PROPN
eurjchem-1976	31	9	ch3	ch3	PROPN
eurjchem-1976	32	1	o	o	X
eurjchem-1976	33	1	o	o	X
eurjchem-1976	33	2	o	o	NOUN
eurjchem-1976	33	3	n	n	CCONJ
eurjchem-1976	33	4	h	h	NOUN
eurjchem-1976	33	5	h3c	h3c	VERB
eurjchem-1976	33	6	1	1	NUM
eurjchem-1976	33	7	-	-	SYM
eurjchem-1976	33	8	8	8	NUM
eurjchem-1976	33	9	9	9	NUM
eurjchem-1976	33	10	10	10	NUM
eurjchem-1976	33	11	-	-	SYM
eurjchem-1976	33	12	19	19	NUM
eurjchem-1976	33	13	compound	compound	NOUN
eurjchem-1976	33	14	r1	r1	NOUN
eurjchem-1976	33	15	r2	r2	PROPN
eurjchem-1976	33	16	r3	r3	PROPN
eurjchem-1976	34	1	ec50	ec50	PROPN
eurjchem-1976	34	2	pec50	pec50	PROPN
eurjchem-1976	34	3	1	1	NUM
eurjchem-1976	34	4	h	h	NOUN
eurjchem-1976	34	5	h	h	NOUN
eurjchem-1976	34	6	h	h	NOUN
eurjchem-1976	34	7	10.00	10.00	NUM
eurjchem-1976	34	8	5.000	5.000	NUM
eurjchem-1976	34	9	2	2	NUM
eurjchem-1976	34	10	h	h	NOUN
eurjchem-1976	34	11	c(o)nh2	c(o)nh2	PROPN
eurjchem-1976	34	12	h	h	PROPN
eurjchem-1976	34	13	9.20	9.20	NUM
eurjchem-1976	34	14	5.036	5.036	NUM
eurjchem-1976	34	15	3	3	NUM
eurjchem-1976	34	16	h	h	NOUN
eurjchem-1976	34	17	h	h	NOUN
eurjchem-1976	34	18	c(o)nh2	c(o)nh2	PROPN
eurjchem-1976	34	19	42.00	42.00	NUM
eurjchem-1976	34	20	4.377	4.377	NUM
eurjchem-1976	34	21	4	4	NUM
eurjchem-1976	34	22	h	h	NOUN
eurjchem-1976	34	23	c(o)nhme	c(o)nhme	NUM
eurjchem-1976	34	24	h	h	NOUN
eurjchem-1976	34	25	6.20	6.20	NUM
eurjchem-1976	34	26	5.208	5.208	NUM
eurjchem-1976	34	27	5	5	NUM
eurjchem-1976	34	28	h	h	NOUN
eurjchem-1976	34	29	c(o)n(me)2	c(o)n(me)2	PROPN
eurjchem-1976	35	1	h	h	NOUN
eurjchem-1976	35	2	6.40	6.40	NUM
eurjchem-1976	35	3	5.194	5.194	NUM
eurjchem-1976	35	4	6	6	NUM
eurjchem-1976	35	5	h	h	NOUN
eurjchem-1976	35	6	c(o)nhet	c(o)nhet	NOUN
eurjchem-1976	35	7	h	h	NOUN
eurjchem-1976	35	8	11.00	11.00	NUM
eurjchem-1976	35	9	4.959	4.959	NUM
eurjchem-1976	35	10	7	7	NUM
eurjchem-1976	35	11	h	h	NOUN
eurjchem-1976	35	12	c(o)nhipr	c(o)nhipr	NOUN
eurjchem-1976	35	13	h	h	VERB
eurjchem-1976	35	14	8.90	8.90	NUM
eurjchem-1976	35	15	5.051	5.051	NUM
eurjchem-1976	35	16	8	8	NUM
eurjchem-1976	35	17	h	h	NOUN
eurjchem-1976	35	18	c(o)nhph	c(o)nhph	NOUN
eurjchem-1976	36	1	h	h	NOUN
eurjchem-1976	37	1	6.40	6.40	NUM
eurjchem-1976	37	2	5.194	5.194	NUM
eurjchem-1976	37	3	9	9	NUM
eurjchem-1976	37	4	14.00	14.00	NUM
eurjchem-1976	37	5	4.854	4.854	NUM
eurjchem-1976	37	6	10	10	NUM
eurjchem-1976	37	7	h	h	NOUN
eurjchem-1976	37	8	me	i	PRON
eurjchem-1976	37	9	h	h	NOUN
eurjchem-1976	37	10	6.20	6.20	NUM
eurjchem-1976	37	11	5.208	5.208	NUM
eurjchem-1976	37	12	11	11	NUM
eurjchem-1976	37	13	ome	ome	NOUN
eurjchem-1976	37	14	h	h	NOUN
eurjchem-1976	37	15	h	h	NOUN
eurjchem-1976	37	16	8.50	8.50	NUM
eurjchem-1976	37	17	5.071	5.071	NUM
eurjchem-1976	37	18	12	12	NUM
eurjchem-1976	37	19	h	h	NOUN
eurjchem-1976	37	20	ome	ome	NOUN
eurjchem-1976	37	21	h	h	NOUN
eurjchem-1976	37	22	6.20	6.20	NUM
eurjchem-1976	37	23	5.208	5.208	NUM
eurjchem-1976	37	24	13	13	NUM
eurjchem-1976	37	25	h	h	NOUN
eurjchem-1976	37	26	h	h	NOUN
eurjchem-1976	37	27	ome	ome	VERB
eurjchem-1976	37	28	8.00	8.00	NUM
eurjchem-1976	37	29	5.097	5.097	NUM
eurjchem-1976	37	30	14	14	NUM
eurjchem-1976	37	31	cl	cl	NOUN
eurjchem-1976	37	32	h	h	NOUN
eurjchem-1976	37	33	h	h	NOUN
eurjchem-1976	38	1	6.30	6.30	NUM
eurjchem-1976	38	2	5.201	5.201	NUM
eurjchem-1976	38	3	15	15	NUM
eurjchem-1976	38	4	h	h	NOUN
eurjchem-1976	38	5	cl	cl	NOUN
eurjchem-1976	38	6	h	h	NOUN
eurjchem-1976	38	7	5.90	5.90	NUM
eurjchem-1976	38	8	5.229	5.229	NUM
eurjchem-1976	38	9	16	16	NUM
eurjchem-1976	38	10	h	h	NOUN
eurjchem-1976	38	11	h	h	NOUN
eurjchem-1976	38	12	cl	cl	NOUN
eurjchem-1976	38	13	4.20	4.20	NUM
eurjchem-1976	38	14	5.377	5.377	NUM
eurjchem-1976	38	15	17	17	NUM
eurjchem-1976	38	16	h	h	NOUN
eurjchem-1976	38	17	cf3	cf3	NOUN
eurjchem-1976	38	18	h	h	NOUN
eurjchem-1976	39	1	2.30	2.30	NUM
eurjchem-1976	39	2	5.638	5.638	NUM
eurjchem-1976	39	3	18	18	NUM
eurjchem-1976	39	4	h	h	NOUN
eurjchem-1976	39	5	h	h	NOUN
eurjchem-1976	39	6	cf3	cf3	NOUN
eurjchem-1976	39	7	0.80	0.80	NUM
eurjchem-1976	39	8	6.097	6.097	NUM
eurjchem-1976	39	9	19	19	NUM
eurjchem-1976	39	10	me	i	PRON
eurjchem-1976	40	1	h	h	NOUN
eurjchem-1976	40	2	cf3	cf3	NOUN
eurjchem-1976	40	3	0.62	0.62	NUM
eurjchem-1976	40	4	6.208	6.208	NUM
eurjchem-1976	40	5	chloroquine	chloroquine	NOUN
eurjchem-1976	40	6	14.00	14.00	NUM
eurjchem-1976	40	7	4.854	4.854	NUM
eurjchem-1976	40	8	under	under	ADP
eurjchem-1976	40	9	the	the	DET
eurjchem-1976	40	10	same	same	ADJ
eurjchem-1976	40	11	experimental	experimental	ADJ
eurjchem-1976	40	12	conditions	condition	NOUN
eurjchem-1976	40	13	and	and	CCONJ
eurjchem-1976	40	14	possesses	possess	VERB
eurjchem-1976	40	15	the	the	DET
eurjchem-1976	40	16	minimum	minimum	ADJ
eurjchem-1976	40	17	variance	variance	NOUN
eurjchem-1976	40	18	in	in	ADP
eurjchem-1976	40	19	the	the	DET
eurjchem-1976	40	20	observed	observe	VERB
eurjchem-1976	40	21	responses	response	NOUN
eurjchem-1976	40	22	[	[	X
eurjchem-1976	40	23	18	18	NUM
eurjchem-1976	40	24	]	]	PUNCT
eurjchem-1976	40	25	.	.	PUNCT
eurjchem-1976	41	1	once	once	ADV
eurjchem-1976	41	2	a	a	DET
eurjchem-1976	41	3	suitable	suitable	ADJ
eurjchem-1976	41	4	dataset	dataset	NOUN
eurjchem-1976	41	5	has	have	AUX
eurjchem-1976	41	6	been	be	AUX
eurjchem-1976	41	7	selected	select	VERB
eurjchem-1976	41	8	,	,	PUNCT
eurjchem-1976	41	9	the	the	DET
eurjchem-1976	41	10	main	main	ADJ
eurjchem-1976	41	11	step	step	NOUN
eurjchem-1976	41	12	of	of	ADP
eurjchem-1976	41	13	modeling	modeling	NOUN
eurjchem-1976	41	14	requires	require	VERB
eurjchem-1976	41	15	molecular	molecular	ADJ
eurjchem-1976	41	16	/	/	SYM
eurjchem-1976	41	17	physicochemical	physicochemical	ADJ
eurjchem-1976	41	18	properties	property	NOUN
eurjchem-1976	41	19	,	,	PUNCT
eurjchem-1976	41	20	followed	follow	VERB
eurjchem-1976	41	21	by	by	ADP
eurjchem-1976	41	22	variable	variable	ADJ
eurjchem-1976	41	23	selection	selection	NOUN
eurjchem-1976	41	24	,	,	PUNCT
eurjchem-1976	41	25	model	model	NOUN
eurjchem-1976	41	26	generation	generation	NOUN
eurjchem-1976	41	27	from	from	ADP
eurjchem-1976	41	28	different	different	ADJ
eurjchem-1976	41	29	algorithms	algorithm	NOUN
eurjchem-1976	41	30	and	and	CCONJ
eurjchem-1976	41	31	validation	validation	NOUN
eurjchem-1976	41	32	process	process	NOUN
eurjchem-1976	41	33	using	use	VERB
eurjchem-1976	41	34	internal	internal	ADJ
eurjchem-1976	41	35	and	and	CCONJ
eurjchem-1976	41	36	external	external	ADJ
eurjchem-1976	41	37	dataset	dataset	NOUN
eurjchem-1976	41	38	[	[	X
eurjchem-1976	41	39	1921	1921	NUM
eurjchem-1976	41	40	]	]	PUNCT
eurjchem-1976	41	41	.	.	PUNCT
eurjchem-1976	42	1	the	the	DET
eurjchem-1976	42	2	current	current	ADJ
eurjchem-1976	42	3	work	work	NOUN
eurjchem-1976	42	4	aimed	aim	VERB
eurjchem-1976	42	5	to	to	PART
eurjchem-1976	42	6	obtain	obtain	VERB
eurjchem-1976	42	7	a	a	DET
eurjchem-1976	42	8	qsar	qsar	NOUN
eurjchem-1976	42	9	model	model	NOUN
eurjchem-1976	42	10	of	of	ADP
eurjchem-1976	42	11	n-(1benzyl-3,5	n-(1benzyl-3,5	PROPN
eurjchem-1976	42	12	-	-	PUNCT
eurjchem-1976	42	13	dimethyl-1h	dimethyl-1h	NOUN
eurjchem-1976	42	14	-	-	PUNCT
eurjchem-1976	42	15	pyrazole-4	pyrazole-4	NOUN
eurjchem-1976	42	16	-	-	PUNCT
eurjchem-1976	42	17	yl	yl	NOUN
eurjchem-1976	42	18	)	)	PUNCT
eurjchem-1976	42	19	benzamide	benzamide	VERB
eurjchem-1976	42	20	derivatives	derivative	NOUN
eurjchem-1976	42	21	in	in	ADP
eurjchem-1976	42	22	order	order	NOUN
eurjchem-1976	42	23	to	to	PART
eurjchem-1976	42	24	predict	predict	VERB
eurjchem-1976	42	25	biological	biological	ADJ
eurjchem-1976	42	26	activity	activity	NOUN
eurjchem-1976	42	27	against	against	ADP
eurjchem-1976	42	28	human	human	ADJ
eurjchem-1976	42	29	pancreatic	pancreatic	ADJ
eurjchem-1976	42	30	ductal	ductal	ADJ
eurjchem-1976	42	31	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-1976	42	32	cell	cell	NOUN
eurjchem-1976	42	33	mia	mia	PROPN
eurjchem-1976	42	34	paca-2	paca-2	PROPN
eurjchem-1976	42	35	,	,	PUNCT
eurjchem-1976	42	36	validate	validate	VERB
eurjchem-1976	42	37	the	the	DET
eurjchem-1976	42	38	predictive	predictive	ADJ
eurjchem-1976	42	39	ability	ability	NOUN
eurjchem-1976	42	40	of	of	ADP
eurjchem-1976	42	41	the	the	DET
eurjchem-1976	42	42	developed	develop	VERB
eurjchem-1976	42	43	model	model	NOUN
eurjchem-1976	42	44	through	through	ADP
eurjchem-1976	42	45	validation	validation	NOUN
eurjchem-1976	42	46	methods	method	NOUN
eurjchem-1976	42	47	,	,	PUNCT
eurjchem-1976	42	48	calculate	calculate	VERB
eurjchem-1976	42	49	the	the	DET
eurjchem-1976	42	50	statistical	statistical	ADJ
eurjchem-1976	42	51	parameter	parameter	NOUN
eurjchem-1976	42	52	to	to	PART
eurjchem-1976	42	53	prove	prove	VERB
eurjchem-1976	42	54	quality	quality	NOUN
eurjchem-1976	42	55	of	of	ADP
eurjchem-1976	42	56	model	model	NOUN
eurjchem-1976	42	57	,	,	PUNCT
eurjchem-1976	42	58	and	and	CCONJ
eurjchem-1976	42	59	use	use	VERB
eurjchem-1976	42	60	the	the	DET
eurjchem-1976	42	61	obtained	obtain	VERB
eurjchem-1976	42	62	model	model	NOUN
eurjchem-1976	42	63	to	to	PART
eurjchem-1976	42	64	predict	predict	VERB
eurjchem-1976	42	65	the	the	DET
eurjchem-1976	42	66	biological	biological	ADJ
eurjchem-1976	42	67	activity	activity	NOUN
eurjchem-1976	42	68	against	against	ADP
eurjchem-1976	42	69	human	human	ADJ
eurjchem-1976	42	70	pancreatic	pancreatic	ADJ
eurjchem-1976	42	71	ductal	ductal	ADJ
eurjchem-1976	42	72	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-1976	42	73	cell	cell	NOUN
eurjchem-1976	42	74	mia	mia	PROPN
eurjchem-1976	42	75	paca-2	paca-2	PROPN
eurjchem-1976	42	76	on	on	ADP
eurjchem-1976	42	77	a	a	DET
eurjchem-1976	42	78	set	set	NOUN
eurjchem-1976	42	79	of	of	ADP
eurjchem-1976	42	80	designed	design	VERB
eurjchem-1976	42	81	compounds	compound	NOUN
eurjchem-1976	42	82	(	(	PUNCT
eurjchem-1976	42	83	1	1	NUM
eurjchem-1976	42	84	-	-	SYM
eurjchem-1976	42	85	15	15	NUM
eurjchem-1976	42	86	)	)	PUNCT
eurjchem-1976	42	87	.	.	PUNCT
eurjchem-1976	43	1	and	and	CCONJ
eurjchem-1976	43	2	conducting	conduct	VERB
eurjchem-1976	43	3	docking	dock	VERB
eurjchem-1976	43	4	studies	study	NOUN
eurjchem-1976	43	5	for	for	ADP
eurjchem-1976	43	6	all	all	DET
eurjchem-1976	43	7	designed	design	VERB
eurjchem-1976	43	8	compounds	compound	NOUN
eurjchem-1976	43	9	(	(	PUNCT
eurjchem-1976	43	10	1	1	NUM
eurjchem-1976	43	11	-	-	SYM
eurjchem-1976	43	12	15	15	NUM
eurjchem-1976	43	13	)	)	PUNCT
eurjchem-1976	43	14	and	and	CCONJ
eurjchem-1976	43	15	selected	select	VERB
eurjchem-1976	43	16	protein	protein	NOUN
eurjchem-1976	43	17	6s6a	6s6a	NOUN
eurjchem-1976	43	18	.	.	PUNCT
eurjchem-1976	44	1	2	2	X
eurjchem-1976	44	2	.	.	X
eurjchem-1976	44	3	experimental	experimental	ADJ
eurjchem-1976	44	4	2.1	2.1	NUM
eurjchem-1976	44	5	.	.	PUNCT
eurjchem-1976	44	6	qsar	qsar	PROPN
eurjchem-1976	44	7	studies	study	NOUN
eurjchem-1976	44	8	2.1.1	2.1.1	NUM
eurjchem-1976	44	9	.	.	PUNCT
eurjchem-1976	45	1	data	datum	NOUN
eurjchem-1976	45	2	set	set	VERB
eurjchem-1976	45	3	a	a	DET
eurjchem-1976	45	4	data	datum	NOUN
eurjchem-1976	45	5	set	set	VERB
eurjchem-1976	45	6	comprised	comprise	VERB
eurjchem-1976	45	7	of	of	ADP
eurjchem-1976	45	8	nineteen	nineteen	NUM
eurjchem-1976	45	9	n-(1	n-(1	PROPN
eurjchem-1976	45	10	-	-	PUNCT
eurjchem-1976	45	11	benzyl-3,5	benzyl-3,5	NOUN
eurjchem-1976	45	12	-	-	PUNCT
eurjchem-1976	45	13	dimethyl1h	dimethyl1h	NOUN
eurjchem-1976	45	14	-	-	PUNCT
eurjchem-1976	45	15	pyrazole-4	pyrazole-4	NOUN
eurjchem-1976	45	16	-	-	PUNCT
eurjchem-1976	45	17	yl	yl	NOUN
eurjchem-1976	45	18	)	)	PUNCT
eurjchem-1976	45	19	benzamide	benzamide	VERB
eurjchem-1976	45	20	derivatives	derivative	NOUN
eurjchem-1976	45	21	was	be	AUX
eurjchem-1976	45	22	used	use	VERB
eurjchem-1976	45	23	in	in	ADP
eurjchem-1976	45	24	the	the	DET
eurjchem-1976	45	25	present	present	ADJ
eurjchem-1976	45	26	study	study	NOUN
eurjchem-1976	45	27	.	.	PUNCT
eurjchem-1976	46	1	all	all	DET
eurjchem-1976	46	2	compounds	compound	NOUN
eurjchem-1976	46	3	and	and	CCONJ
eurjchem-1976	46	4	associated	associated	ADJ
eurjchem-1976	46	5	data	datum	NOUN
eurjchem-1976	46	6	were	be	AUX
eurjchem-1976	46	7	obtained	obtain	VERB
eurjchem-1976	46	8	from	from	ADP
eurjchem-1976	46	9	literature	literature	NOUN
eurjchem-1976	46	10	[	[	X
eurjchem-1976	46	11	22	22	NUM
eurjchem-1976	46	12	]	]	PUNCT
eurjchem-1976	46	13	.	.	PUNCT
eurjchem-1976	47	1	the	the	DET
eurjchem-1976	47	2	biological	biological	ADJ
eurjchem-1976	47	3	activity	activity	NOUN
eurjchem-1976	47	4	data	datum	NOUN
eurjchem-1976	47	5	were	be	AUX
eurjchem-1976	47	6	reported	report	VERB
eurjchem-1976	47	7	as	as	ADP
eurjchem-1976	47	8	(	(	PUNCT
eurjchem-1976	47	9	ec50	ec50	PROPN
eurjchem-1976	47	10	)	)	PUNCT
eurjchem-1976	47	11	values	value	NOUN
eurjchem-1976	47	12	half	half	ADV
eurjchem-1976	47	13	maximal	maximal	ADJ
eurjchem-1976	47	14	effective	effective	ADJ
eurjchem-1976	47	15	concentration	concentration	NOUN
eurjchem-1976	47	16	in	in	ADP
eurjchem-1976	47	17	mia	mia	PROPN
eurjchem-1976	47	18	paca-2a	paca-2a	PUNCT
eurjchem-1976	47	19	pancreatic	pancreatic	ADJ
eurjchem-1976	47	20	cancer	cancer	NOUN
eurjchem-1976	47	21	line	line	NOUN
eurjchem-1976	47	22	.	.	PUNCT
eurjchem-1976	48	1	the	the	DET
eurjchem-1976	48	2	(	(	PUNCT
eurjchem-1976	48	3	ec50	ec50	PROPN
eurjchem-1976	48	4	)	)	PUNCT
eurjchem-1976	48	5	values	value	NOUN
eurjchem-1976	48	6	were	be	AUX
eurjchem-1976	48	7	converted	convert	VERB
eurjchem-1976	48	8	into	into	ADP
eurjchem-1976	48	9	(	(	PUNCT
eurjchem-1976	48	10	pec50	pec50	NOUN
eurjchem-1976	48	11	)	)	PUNCT
eurjchem-1976	48	12	using	use	VERB
eurjchem-1976	48	13	the	the	DET
eurjchem-1976	48	14	formula	formula	NOUN
eurjchem-1976	48	15	:	:	PUNCT
eurjchem-1976	48	16	pec50	pec50	PROPN
eurjchem-1976	48	17	=	=	PUNCT
eurjchem-1976	48	18	-log	-log	PUNCT
eurjchem-1976	49	1	ec50	ec50	PROPN
eurjchem-1976	49	2	,	,	PUNCT
eurjchem-1976	49	3	values	value	NOUN
eurjchem-1976	49	4	along	along	ADP
eurjchem-1976	49	5	with	with	ADP
eurjchem-1976	49	6	the	the	DET
eurjchem-1976	49	7	n-(1	n-(1	NOUN
eurjchem-1976	49	8	-	-	PUNCT
eurjchem-1976	49	9	benzyl-3,5	benzyl-3,5	NOUN
eurjchem-1976	49	10	-	-	PUNCT
eurjchem-1976	49	11	dimethyl-1h	dimethyl-1h	NOUN
eurjchem-1976	49	12	-	-	PUNCT
eurjchem-1976	49	13	pyrazole-4yl	pyrazole-4yl	NOUN
eurjchem-1976	49	14	)	)	PUNCT
eurjchem-1976	49	15	benzamide	benzamide	VERB
eurjchem-1976	49	16	derivatives	derivative	NOUN
eurjchem-1976	49	17	structures	structure	NOUN
eurjchem-1976	49	18	can	can	AUX
eurjchem-1976	49	19	be	be	AUX
eurjchem-1976	49	20	found	find	VERB
eurjchem-1976	49	21	on	on	ADP
eurjchem-1976	49	22	table	table	NOUN
eurjchem-1976	49	23	1	1	NUM
eurjchem-1976	49	24	.	.	PUNCT
eurjchem-1976	50	1	chemical	chemical	NOUN
eurjchem-1976	50	2	structures	structure	NOUN
eurjchem-1976	50	3	of	of	ADP
eurjchem-1976	50	4	the	the	DET
eurjchem-1976	50	5	compounds	compound	NOUN
eurjchem-1976	50	6	were	be	AUX
eurjchem-1976	50	7	done	do	VERB
eurjchem-1976	50	8	using	use	VERB
eurjchem-1976	50	9	the	the	DET
eurjchem-1976	50	10	acd	acd	NOUN
eurjchem-1976	50	11	/	/	SYM
eurjchem-1976	50	12	chemsketch	chemsketch	NOUN
eurjchem-1976	50	13	v14.01	v14.01	NOUN
eurjchem-1976	50	14	software	software	NOUN
eurjchem-1976	50	15	(	(	PUNCT
eurjchem-1976	50	16	acd	acd	NOUN
eurjchem-1976	50	17	,	,	PUNCT
eurjchem-1976	50	18	copyright	copyright	NOUN
eurjchem-1976	50	19	1994	1994	NUM
eurjchem-1976	50	20	-	-	SYM
eurjchem-1976	50	21	2013	2013	NUM
eurjchem-1976	50	22	advanced	advanced	ADJ
eurjchem-1976	50	23	chemistry	chemistry	NOUN
eurjchem-1976	50	24	development	development	NOUN
eurjchem-1976	50	25	,	,	PUNCT
eurjchem-1976	50	26	inc	inc	PROPN
eurjchem-1976	50	27	.	.	PROPN
eurjchem-1976	50	28	)	)	PUNCT
eurjchem-1976	50	29	,	,	PUNCT
eurjchem-1976	50	30	molecular	molecular	ADJ
eurjchem-1976	50	31	modeling	modeling	NOUN
eurjchem-1976	50	32	was	be	AUX
eurjchem-1976	50	33	performed	perform	VERB
eurjchem-1976	50	34	using	use	VERB
eurjchem-1976	50	35	the	the	DET
eurjchem-1976	50	36	molecular	molecular	ADJ
eurjchem-1976	50	37	operating	operate	VERB
eurjchem-1976	50	38	environment	environment	NOUN
eurjchem-1976	50	39	software	software	NOUN
eurjchem-1976	50	40	package	package	NOUN
eurjchem-1976	50	41	(	(	PUNCT
eurjchem-1976	50	42	moe	moe	NOUN
eurjchem-1976	50	43	,	,	PUNCT
eurjchem-1976	50	44	v2009.10	v2009.10	NOUN
eurjchem-1976	50	45	;	;	PUNCT
eurjchem-1976	50	46	chemical	chemical	PROPN
eurjchem-1976	50	47	computing	computing	PROPN
eurjchem-1976	50	48	group	group	PROPN
eurjchem-1976	50	49	inc	inc	PROPN
eurjchem-1976	50	50	.	.	PROPN
eurjchem-1976	50	51	)	)	PUNCT
eurjchem-1976	50	52	.	.	PUNCT
eurjchem-1976	51	1	the	the	DET
eurjchem-1976	51	2	qsar	qsar	PROPN
eurjchem-1976	51	3	model	model	NOUN
eurjchem-1976	51	4	was	be	AUX
eurjchem-1976	51	5	derived	derive	VERB
eurjchem-1976	51	6	from	from	ADP
eurjchem-1976	51	7	nineteen	nineteen	NUM
eurjchem-1976	51	8	molecules	molecule	NOUN
eurjchem-1976	51	9	which	which	PRON
eurjchem-1976	51	10	were	be	AUX
eurjchem-1976	51	11	randomly	randomly	ADV
eurjchem-1976	51	12	divided	divide	VERB
eurjchem-1976	51	13	into	into	ADP
eurjchem-1976	51	14	training	training	NOUN
eurjchem-1976	51	15	set	set	NOUN
eurjchem-1976	51	16	of	of	ADP
eurjchem-1976	51	17	fifteen	fifteen	NUM
eurjchem-1976	51	18	molecules	molecule	NOUN
eurjchem-1976	51	19	and	and	CCONJ
eurjchem-1976	51	20	test	test	NOUN
eurjchem-1976	51	21	set	set	VERB
eurjchem-1976	51	22	of	of	ADP
eurjchem-1976	51	23	four	four	NUM
eurjchem-1976	51	24	molecules	molecule	NOUN
eurjchem-1976	51	25	was	be	AUX
eurjchem-1976	51	26	used	use	VERB
eurjchem-1976	51	27	to	to	PART
eurjchem-1976	51	28	validate	validate	VERB
eurjchem-1976	51	29	qsar	qsar	NOUN
eurjchem-1976	51	30	model	model	NOUN
eurjchem-1976	51	31	.	.	PUNCT
eurjchem-1976	52	1	2.1.2	2.1.2	X
eurjchem-1976	52	2	.	.	X
eurjchem-1976	52	3	molecular	molecular	ADJ
eurjchem-1976	52	4	descriptors	descriptor	NOUN
eurjchem-1976	52	5	generation	generation	VERB
eurjchem-1976	52	6	different	different	ADJ
eurjchem-1976	52	7	molecular	molecular	ADJ
eurjchem-1976	52	8	descriptors	descriptor	NOUN
eurjchem-1976	52	9	(	(	PUNCT
eurjchem-1976	52	10	physicochemical	physicochemical	ADJ
eurjchem-1976	52	11	properties	property	NOUN
eurjchem-1976	52	12	)	)	PUNCT
eurjchem-1976	53	1	[	[	X
eurjchem-1976	53	2	23	23	NUM
eurjchem-1976	53	3	]	]	PUNCT
eurjchem-1976	53	4	were	be	AUX
eurjchem-1976	53	5	calculated	calculate	VERB
eurjchem-1976	53	6	for	for	ADP
eurjchem-1976	53	7	each	each	DET
eurjchem-1976	53	8	molecule	molecule	NOUN
eurjchem-1976	53	9	after	after	SCONJ
eurjchem-1976	53	10	the	the	DET
eurjchem-1976	53	11	low	low	ADJ
eurjchem-1976	53	12	energy	energy	NOUN
eurjchem-1976	53	13	conformer	conformer	NOUN
eurjchem-1976	53	14	of	of	ADP
eurjchem-1976	53	15	structures	structure	NOUN
eurjchem-1976	53	16	were	be	AUX
eurjchem-1976	53	17	generated	generate	VERB
eurjchem-1976	53	18	,	,	PUNCT
eurjchem-1976	53	19	these	these	DET
eurjchem-1976	53	20	descripttors	descripttor	NOUN
eurjchem-1976	53	21	included	include	VERB
eurjchem-1976	53	22	electronic	electronic	ADJ
eurjchem-1976	53	23	,	,	PUNCT
eurjchem-1976	53	24	spatial	spatial	ADJ
eurjchem-1976	53	25	,	,	PUNCT
eurjchem-1976	53	26	and	and	CCONJ
eurjchem-1976	53	27	structural	structural	ADJ
eurjchem-1976	53	28	descriptor	descriptor	NOUN
eurjchem-1976	53	29	were	be	AUX
eurjchem-1976	53	30	calculated	calculate	VERB
eurjchem-1976	53	31	using	use	VERB
eurjchem-1976	53	32	moe	moe	NOUN
eurjchem-1976	53	33	and	and	CCONJ
eurjchem-1976	53	34	acd	acd	NOUN
eurjchem-1976	53	35	lab	lab	NOUN
eurjchem-1976	53	36	programs	program	NOUN
eurjchem-1976	53	37	.	.	PUNCT
eurjchem-1976	54	1	in	in	ADP
eurjchem-1976	54	2	order	order	NOUN
eurjchem-1976	54	3	to	to	PART
eurjchem-1976	54	4	select	select	VERB
eurjchem-1976	54	5	the	the	DET
eurjchem-1976	54	6	best	good	ADJ
eurjchem-1976	54	7	subset	subset	NOUN
eurjchem-1976	54	8	of	of	ADP
eurjchem-1976	54	9	descriptors	descriptor	NOUN
eurjchem-1976	54	10	,	,	PUNCT
eurjchem-1976	54	11	and	and	CCONJ
eurjchem-1976	54	12	avoid	avoid	VERB
eurjchem-1976	54	13	difficulties	difficulty	NOUN
eurjchem-1976	54	14	in	in	ADP
eurjchem-1976	54	15	forming	form	VERB
eurjchem-1976	54	16	qsar	qsar	NOUN
eurjchem-1976	54	17	models	model	NOUN
eurjchem-1976	54	18	,	,	PUNCT
eurjchem-1976	54	19	hence	hence	ADV
eurjchem-1976	54	20	the	the	DET
eurjchem-1976	54	21	predictivity	predictivity	NOUN
eurjchem-1976	54	22	and	and	CCONJ
eurjchem-1976	54	23	the	the	DET
eurjchem-1976	54	24	generalization	generalization	NOUN
eurjchem-1976	54	25	of	of	ADP
eurjchem-1976	54	26	the	the	DET
eurjchem-1976	54	27	model	model	NOUN
eurjchem-1976	54	28	fail	fail	VERB
eurjchem-1976	54	29	under	under	ADP
eurjchem-1976	54	30	these	these	DET
eurjchem-1976	54	31	conditions	condition	NOUN
eurjchem-1976	54	32	,	,	PUNCT
eurjchem-1976	54	33	highly	highly	ADV
eurjchem-1976	54	34	correlated	correlate	VERB
eurjchem-1976	54	35	descriptors	descriptor	NOUN
eurjchem-1976	54	36	were	be	AUX
eurjchem-1976	54	37	excluded	exclude	VERB
eurjchem-1976	54	38	using	use	VERB
eurjchem-1976	54	39	correlation	correlation	NOUN
eurjchem-1976	54	40	matrix	matrix	NOUN
eurjchem-1976	54	41	,	,	PUNCT
eurjchem-1976	54	42	the	the	DET
eurjchem-1976	54	43	nine	nine	NUM
eurjchem-1976	54	44	descriptors	descriptor	NOUN
eurjchem-1976	54	45	used	use	VERB
eurjchem-1976	54	46	to	to	PART
eurjchem-1976	54	47	generate	generate	VERB
eurjchem-1976	54	48	qsar	qsar	NOUN
eurjchem-1976	54	49	model	model	NOUN
eurjchem-1976	54	50	denoted	denote	VERB
eurjchem-1976	54	51	as	as	ADP
eurjchem-1976	54	52	molecular	molecular	ADJ
eurjchem-1976	54	53	weight	weight	NOUN
eurjchem-1976	54	54	(	(	PUNCT
eurjchem-1976	54	55	mw	mw	NOUN
eurjchem-1976	54	56	)	)	PUNCT
eurjchem-1976	54	57	,	,	PUNCT
eurjchem-1976	54	58	molar	molar	ADJ
eurjchem-1976	54	59	volume	volume	NOUN
eurjchem-1976	54	60	(	(	PUNCT
eurjchem-1976	54	61	mv	mv	PROPN
eurjchem-1976	54	62	)	)	PUNCT
eurjchem-1976	54	63	,	,	PUNCT
eurjchem-1976	54	64	molar	molar	ADJ
eurjchem-1976	54	65	refractivity	refractivity	NOUN
eurjchem-1976	54	66	(	(	PUNCT
eurjchem-1976	54	67	mr	mr	PROPN
eurjchem-1976	54	68	)	)	PUNCT
eurjchem-1976	54	69	,	,	PUNCT
eurjchem-1976	54	70	sum	sum	NOUN
eurjchem-1976	54	71	of	of	ADP
eurjchem-1976	54	72	atomic	atomic	ADJ
eurjchem-1976	54	73	polarizabilities	polarizabilitie	NOUN
eurjchem-1976	54	74	(	(	PUNCT
eurjchem-1976	54	75	s	s	NOUN
eurjchem-1976	54	76	-	-	NOUN
eurjchem-1976	54	77	apol	apol	NOUN
eurjchem-1976	54	78	)	)	PUNCT
eurjchem-1976	54	79	,	,	PUNCT
eurjchem-1976	54	80	total	total	ADJ
eurjchem-1976	54	81	polar	polar	ADJ
eurjchem-1976	54	82	surface	surface	NOUN
eurjchem-1976	54	83	area	area	NOUN
eurjchem-1976	54	84	(	(	PUNCT
eurjchem-1976	54	85	tpsa	tpsa	PROPN
eurjchem-1976	54	86	)	)	PUNCT
eurjchem-1976	54	87	,	,	PUNCT
eurjchem-1976	54	88	density	density	NOUN
eurjchem-1976	54	89	(	(	PUNCT
eurjchem-1976	54	90	d	d	NOUN
eurjchem-1976	54	91	)	)	PUNCT
eurjchem-1976	54	92	,	,	PUNCT
eurjchem-1976	54	93	index	index	NOUN
eurjchem-1976	54	94	of	of	ADP
eurjchem-1976	54	95	refraction	refraction	NOUN
eurjchem-1976	54	96	(	(	PUNCT
eurjchem-1976	54	97	inr	inr	PROPN
eurjchem-1976	54	98	)	)	PUNCT
eurjchem-1976	54	99	,	,	PUNCT
eurjchem-1976	54	100	surface	surface	NOUN
eurjchem-1976	54	101	tension	tension	NOUN
eurjchem-1976	54	102	(	(	PUNCT
eurjchem-1976	54	103	st	st	NOUN
eurjchem-1976	54	104	)	)	PUNCT
eurjchem-1976	54	105	,	,	PUNCT
eurjchem-1976	54	106	and	and	CCONJ
eurjchem-1976	54	107	log	log	VERB
eurjchem-1976	54	108	octanol	octanol	NOUN
eurjchem-1976	54	109	/	/	SYM
eurjchem-1976	54	110	water	water	NOUN
eurjchem-1976	54	111	partition	partition	NOUN
eurjchem-1976	54	112	coefficient	coefficient	NOUN
eurjchem-1976	54	113	(	(	PUNCT
eurjchem-1976	54	114	log	log	VERB
eurjchem-1976	54	115	p(o	p(o	NOUN
eurjchem-1976	54	116	/	/	SYM
eurjchem-1976	54	117	w	w	NOUN
eurjchem-1976	54	118	)	)	PUNCT
eurjchem-1976	54	119	)	)	PUNCT
eurjchem-1976	54	120	reported	report	VERB
eurjchem-1976	54	121	in	in	ADP
eurjchem-1976	54	122	table	table	NOUN
eurjchem-1976	54	123	2	2	NUM
eurjchem-1976	54	124	.	.	PUNCT
eurjchem-1976	54	125	mohamed	mohamed	PROPN
eurjchem-1976	54	126	et	et	PROPN
eurjchem-1976	54	127	al	al	PROPN
eurjchem-1976	54	128	.	.	PUNCT
eurjchem-1976	54	129	/	/	SYM
eurjchem-1976	54	130	european	european	PROPN
eurjchem-1976	54	131	journal	journal	PROPN
eurjchem-1976	54	132	of	of	ADP
eurjchem-1976	54	133	chemistry	chemistry	NOUN
eurjchem-1976	54	134	11	11	NUM
eurjchem-1976	54	135	(	(	PUNCT
eurjchem-1976	54	136	3	3	NUM
eurjchem-1976	54	137	)	)	PUNCT
eurjchem-1976	54	138	(	(	PUNCT
eurjchem-1976	54	139	2020	2020	NUM
eurjchem-1976	54	140	)	)	PUNCT
eurjchem-1976	54	141	187	187	NUM
eurjchem-1976	54	142	-	-	SYM
eurjchem-1976	54	143	193	193	NUM
eurjchem-1976	54	144	189	189	NUM
eurjchem-1976	54	145	2020	2020	NUM
eurjchem-1976	54	146	–	–	PUNCT
eurjchem-1976	54	147	european	european	ADJ
eurjchem-1976	54	148	journal	journal	NOUN
eurjchem-1976	54	149	of	of	ADP
eurjchem-1976	54	150	chemistry	chemistry	NOUN
eurjchem-1976	54	151	–	–	PUNCT
eurjchem-1976	54	152	cc	cc	NOUN
eurjchem-1976	54	153	by	by	ADP
eurjchem-1976	54	154	nc	nc	PROPN
eurjchem-1976	54	155	–	–	PUNCT
eurjchem-1976	54	156	doi	doi	PROPN
eurjchem-1976	54	157	:	:	PUNCT
eurjchem-1976	54	158	10.5155	10.5155	NUM
eurjchem-1976	54	159	/	/	SYM
eurjchem-1976	54	160	eurjchem.11.3.187	eurjchem.11.3.187	NUM
eurjchem-1976	54	161	-	-	PUNCT
eurjchem-1976	54	162	193.1976	193.1976	NUM
eurjchem-1976	54	163	table	table	NOUN
eurjchem-1976	54	164	2	2	NUM
eurjchem-1976	54	165	.	.	PUNCT
eurjchem-1976	54	166	values	value	NOUN
eurjchem-1976	54	167	of	of	ADP
eurjchem-1976	54	168	molecular	molecular	ADJ
eurjchem-1976	54	169	descriptors	descriptor	NOUN
eurjchem-1976	54	170	calculated	calculate	VERB
eurjchem-1976	54	171	for	for	ADP
eurjchem-1976	54	172	training	training	NOUN
eurjchem-1976	54	173	set	set	NOUN
eurjchem-1976	54	174	.	.	PUNCT
eurjchem-1976	55	1	compound	compound	NOUN
eurjchem-1976	55	2	mw	mw	PROPN
eurjchem-1976	56	1	mv	mv	PROPN
eurjchem-1976	56	2	mr	mr	PROPN
eurjchem-1976	56	3	s	s	PROPN
eurjchem-1976	56	4	-	-	PROPN
eurjchem-1976	56	5	apol	apol	NOUN
eurjchem-1976	56	6	t	t	PROPN
eurjchem-1976	56	7	-	-	PUNCT
eurjchem-1976	56	8	psa	psa	PROPN
eurjchem-1976	56	9	d	d	PROPN
eurjchem-1976	56	10	inr	inr	PROPN
eurjchem-1976	56	11	st	st	PROPN
eurjchem-1976	56	12	log	log	PROPN
eurjchem-1976	56	13	p(o	p(o	NOUN
eurjchem-1976	56	14	/	/	SYM
eurjchem-1976	56	15	w	w	NOUN
eurjchem-1976	56	16	)	)	PUNCT
eurjchem-1976	56	17	1	1	NUM
eurjchem-1976	56	18	411.5050	411.5050	NUM
eurjchem-1976	56	19	359.0000	359.0000	NUM
eurjchem-1976	56	20	12.4145	12.4145	NUM
eurjchem-1976	56	21	67.3338	67.3338	NUM
eurjchem-1976	56	22	55.9685	55.9685	NUM
eurjchem-1976	56	23	0.9795	0.9795	NUM
eurjchem-1976	56	24	1.6070	1.6070	NUM
eurjchem-1976	56	25	43.5000	43.5000	NUM
eurjchem-1976	56	26	4.8820	4.8820	NUM
eurjchem-1976	56	27	3	3	NUM
eurjchem-1976	56	28	454.5300	454.5300	NUM
eurjchem-1976	56	29	369.0000	369.0000	NUM
eurjchem-1976	56	30	13.2528	13.2528	NUM
eurjchem-1976	56	31	71.6626	71.6626	NUM
eurjchem-1976	56	32	143.1298	143.1298	NUM
eurjchem-1976	56	33	1.0129	1.0129	NUM
eurjchem-1976	56	34	1.6310	1.6310	NUM
eurjchem-1976	56	35	48.5000	48.5000	NUM
eurjchem-1976	56	36	3.8230	3.8230	NUM
eurjchem-1976	56	37	4	4	NUM
eurjchem-1976	56	38	468.5570	468.5570	NUM
eurjchem-1976	56	39	392.1000	392.1000	NUM
eurjchem-1976	56	40	13.7479	13.7479	NUM
eurjchem-1976	56	41	74.7562	74.7562	NUM
eurjchem-1976	56	42	135.8367	135.8367	NUM
eurjchem-1976	56	43	1.0049	1.0049	NUM
eurjchem-1976	56	44	1.6160	1.6160	NUM
eurjchem-1976	56	45	45.3000	45.3000	NUM
eurjchem-1976	56	46	4.2180	4.2180	NUM
eurjchem-1976	56	47	5	5	NUM
eurjchem-1976	56	48	482.5840	482.5840	NUM
eurjchem-1976	56	49	413.3000	413.3000	NUM
eurjchem-1976	56	50	14.1937	14.1937	NUM
eurjchem-1976	56	51	77.8498	77.8498	NUM
eurjchem-1976	56	52	122.8609	122.8609	NUM
eurjchem-1976	56	53	0.9937	0.9937	NUM
eurjchem-1976	56	54	1.6050	1.6050	NUM
eurjchem-1976	56	55	43.7000	43.7000	NUM
eurjchem-1976	56	56	4.4150	4.4150	NUM
eurjchem-1976	56	57	6	6	NUM
eurjchem-1976	56	58	482.5840	482.5840	NUM
eurjchem-1976	56	59	408.1000	408.1000	NUM
eurjchem-1976	56	60	14.2149	14.2149	NUM
eurjchem-1976	56	61	77.8498	77.8498	NUM
eurjchem-1976	56	62	110.3188	110.3188	NUM
eurjchem-1976	56	63	0.9958	0.9958	NUM
eurjchem-1976	56	64	1.6100	1.6100	NUM
eurjchem-1976	56	65	44.8000	44.8000	NUM
eurjchem-1976	56	66	4.5590	4.5590	NUM
eurjchem-1976	56	67	7	7	NUM
eurjchem-1976	56	68	496.6110	496.6110	NUM
eurjchem-1976	56	69	423.3000	423.3000	NUM
eurjchem-1976	56	70	14.6494	14.6494	NUM
eurjchem-1976	56	71	80.9434	80.9434	NUM
eurjchem-1976	56	72	94.9803	94.9803	NUM
eurjchem-1976	56	73	0.9829	0.9829	NUM
eurjchem-1976	56	74	1.6060	1.6060	NUM
eurjchem-1976	56	75	43.5000	43.5000	NUM
eurjchem-1976	56	76	5.0210	5.0210	NUM
eurjchem-1976	56	77	9	9	NUM
eurjchem-1976	56	78	474.6050	474.6050	NUM
eurjchem-1976	56	79	392.1000	392.1000	NUM
eurjchem-1976	56	80	13.8371	13.8371	NUM
eurjchem-1976	56	81	78.7570	78.7570	NUM
eurjchem-1976	56	82	137.5979	137.5979	NUM
eurjchem-1976	56	83	0.9870	0.9870	NUM
eurjchem-1976	56	84	1.6160	1.6160	NUM
eurjchem-1976	56	85	45.3000	45.3000	NUM
eurjchem-1976	56	86	4.5430	4.5430	NUM
eurjchem-1976	56	87	10	10	NUM
eurjchem-1976	56	88	482.5840	482.5840	NUM
eurjchem-1976	56	89	407.3000	407.3000	NUM
eurjchem-1976	56	90	14.1945	14.1945	NUM
eurjchem-1976	56	91	77.8498	77.8498	NUM
eurjchem-1976	56	92	138.3996	138.3996	NUM
eurjchem-1976	56	93	0.9899	0.9899	NUM
eurjchem-1976	56	94	1.6110	1.6110	NUM
eurjchem-1976	56	95	43.9000	43.9000	NUM
eurjchem-1976	56	96	4.5530	4.5530	NUM
eurjchem-1976	56	97	11	11	NUM
eurjchem-1976	56	98	498.5830	498.5830	NUM
eurjchem-1976	56	99	413.7000	413.7000	NUM
eurjchem-1976	56	100	14.3987	14.3987	NUM
eurjchem-1976	56	101	78.6518	78.6518	NUM
eurjchem-1976	56	102	168.2368	168.2368	NUM
eurjchem-1976	56	103	1.0106	1.0106	NUM
eurjchem-1976	56	104	1.6060	1.6060	NUM
eurjchem-1976	56	105	44.3000	44.3000	NUM
eurjchem-1976	56	106	3.9237	3.9237	NUM
eurjchem-1976	56	107	13	13	NUM
eurjchem-1976	56	108	498.5830	498.5830	NUM
eurjchem-1976	56	109	413.7000	413.7000	NUM
eurjchem-1976	56	110	14.3950	14.3950	NUM
eurjchem-1976	56	111	78.6518	78.6518	NUM
eurjchem-1976	56	112	174.5284	174.5284	NUM
eurjchem-1976	56	113	1.0126	1.0126	NUM
eurjchem-1976	56	114	1.6060	1.6060	NUM
eurjchem-1976	56	115	44.3000	44.3000	NUM
eurjchem-1976	56	116	4.1740	4.1740	NUM
eurjchem-1976	56	117	14	14	NUM
eurjchem-1976	56	118	503.0020	503.0020	NUM
eurjchem-1976	56	119	401.3000	401.3000	NUM
eurjchem-1976	56	120	14.2636	14.2636	NUM
eurjchem-1976	56	121	76.2694	76.2694	NUM
eurjchem-1976	56	122	138.1049	138.1049	NUM
eurjchem-1976	56	123	1.0457	1.0457	NUM
eurjchem-1976	56	124	1.6230	1.6230	NUM
eurjchem-1976	56	125	46.1000	46.1000	NUM
eurjchem-1976	56	126	4.8080	4.8080	NUM
eurjchem-1976	56	127	15	15	NUM
eurjchem-1976	56	128	503.0020	503.0020	NUM
eurjchem-1976	56	129	401.3000	401.3000	NUM
eurjchem-1976	56	130	14.2598	14.2598	NUM
eurjchem-1976	56	131	76.2694	76.2694	NUM
eurjchem-1976	56	132	135.7901	135.7901	NUM
eurjchem-1976	56	133	1.0411	1.0411	NUM
eurjchem-1976	56	134	1.6230	1.6230	NUM
eurjchem-1976	56	135	46.1000	46.1000	NUM
eurjchem-1976	56	136	4.8470	4.8470	NUM
eurjchem-1976	56	137	16	16	NUM
eurjchem-1976	56	138	503.0020	503.0020	NUM
eurjchem-1976	56	139	401.3000	401.3000	NUM
eurjchem-1976	56	140	14.2598	14.2598	NUM
eurjchem-1976	56	141	76.2694	76.2694	NUM
eurjchem-1976	56	142	136.9149	136.9149	NUM
eurjchem-1976	56	143	1.0436	1.0436	NUM
eurjchem-1976	56	144	1.6230	1.6230	NUM
eurjchem-1976	56	145	46.1000	46.1000	NUM
eurjchem-1976	56	146	4.8100	4.8100	NUM
eurjchem-1976	56	147	18	18	NUM
eurjchem-1976	56	148	536.5540	536.5540	NUM
eurjchem-1976	56	149	422.0000	422.0000	NUM
eurjchem-1976	56	150	14.3648	14.3648	NUM
eurjchem-1976	56	151	77.5204	77.5204	NUM
eurjchem-1976	56	152	234.1733	234.1733	NUM
eurjchem-1976	56	153	1.0925	1.0925	NUM
eurjchem-1976	56	154	1.5860	1.5860	NUM
eurjchem-1976	56	155	41.5000	41.5000	NUM
eurjchem-1976	56	156	5.1528	5.1528	NUM
eurjchem-1976	56	157	19	19	NUM
eurjchem-1976	56	158	550.5810	550.5810	NUM
eurjchem-1976	56	159	437.2000	437.2000	NUM
eurjchem-1976	56	160	14.8190	14.8190	NUM
eurjchem-1976	56	161	80.6140	80.6140	NUM
eurjchem-1976	56	162	235.1974	235.1974	NUM
eurjchem-1976	56	163	1.0725	1.0725	NUM
eurjchem-1976	56	164	1.5830	1.5830	NUM
eurjchem-1976	56	165	40.4000	40.4000	NUM
eurjchem-1976	56	166	5.4858	5.4858	NUM
eurjchem-1976	56	167	table	table	NOUN
eurjchem-1976	56	168	3	3	NUM
eurjchem-1976	56	169	.	.	PUNCT
eurjchem-1976	56	170	comparison	comparison	NOUN
eurjchem-1976	56	171	of	of	ADP
eurjchem-1976	56	172	squared	square	VERB
eurjchem-1976	56	173	correlation	correlation	NOUN
eurjchem-1976	56	174	coefficients	coefficient	NOUN
eurjchem-1976	56	175	of	of	ADP
eurjchem-1976	56	176	the	the	DET
eurjchem-1976	56	177	models	model	NOUN
eurjchem-1976	56	178	.	.	PUNCT
eurjchem-1976	57	1	models	model	NOUN
eurjchem-1976	57	2	r2	r2	PROPN
eurjchem-1976	57	3	model	model	NOUN
eurjchem-1976	57	4	1	1	NUM
eurjchem-1976	57	5	0.852	0.852	NUM
eurjchem-1976	57	6	model	model	NOUN
eurjchem-1976	57	7	2	2	NUM
eurjchem-1976	57	8	0.835	0.835	NUM
eurjchem-1976	57	9	model	model	NOUN
eurjchem-1976	57	10	3	3	NUM
eurjchem-1976	57	11	0.937	0.937	NUM
eurjchem-1976	57	12	model	model	NOUN
eurjchem-1976	57	13	4	4	NUM
eurjchem-1976	57	14	0.853	0.853	NUM
eurjchem-1976	57	15	model	model	NOUN
eurjchem-1976	57	16	5	5	NUM
eurjchem-1976	57	17	0.896	0.896	NUM
eurjchem-1976	57	18	table	table	NOUN
eurjchem-1976	57	19	4	4	NUM
eurjchem-1976	57	20	.	.	PUNCT
eurjchem-1976	57	21	statistical	statistical	ADJ
eurjchem-1976	57	22	parameters	parameter	NOUN
eurjchem-1976	57	23	used	use	VERB
eurjchem-1976	57	24	for	for	ADP
eurjchem-1976	57	25	statistical	statistical	ADJ
eurjchem-1976	57	26	quality	quality	NOUN
eurjchem-1976	57	27	of	of	ADP
eurjchem-1976	57	28	model	model	NOUN
eurjchem-1976	57	29	.	.	PUNCT
eurjchem-1976	58	1	r	r	NOUN
eurjchem-1976	58	2	r2	r2	PROPN
eurjchem-1976	58	3	q2	q2	PROPN
eurjchem-1976	58	4	s	s	PART
eurjchem-1976	58	5	f	f	PROPN
eurjchem-1976	58	6	rmse	rmse	PROPN
eurjchem-1976	58	7	p	p	PROPN
eurjchem-1976	58	8	value	value	NOUN
eurjchem-1976	58	9	0.968	0.968	NUM
eurjchem-1976	58	10	0.937	0.937	NUM
eurjchem-1976	58	11	0.880	0.880	NUM
eurjchem-1976	58	12	0.117	0.117	NUM
eurjchem-1976	58	13	192.638	192.638	NUM
eurjchem-1976	58	14	0.109	0.109	NUM
eurjchem-1976	58	15	0.000	0.000	NUM
eurjchem-1976	58	16	table	table	NOUN
eurjchem-1976	58	17	5	5	NUM
eurjchem-1976	58	18	.	.	PUNCT
eurjchem-1976	59	1	experimental	experimental	ADJ
eurjchem-1976	59	2	and	and	CCONJ
eurjchem-1976	59	3	predicted	predict	VERB
eurjchem-1976	59	4	pec50	pec50	NOUN
eurjchem-1976	59	5	for	for	ADP
eurjchem-1976	59	6	training	training	NOUN
eurjchem-1976	59	7	set	set	VERB
eurjchem-1976	59	8	and	and	CCONJ
eurjchem-1976	59	9	cross	cross	VERB
eurjchem-1976	59	10	validation	validation	NOUN
eurjchem-1976	59	11	against	against	ADP
eurjchem-1976	59	12	human	human	ADJ
eurjchem-1976	59	13	pancreatic	pancreatic	ADJ
eurjchem-1976	59	14	cancer	cancer	NOUN
eurjchem-1976	59	15	cell	cell	NOUN
eurjchem-1976	59	16	line	line	NOUN
eurjchem-1976	59	17	(	(	PUNCT
eurjchem-1976	59	18	mia	mia	NOUN
eurjchem-1976	59	19	paca-2	paca-2	PROPN
eurjchem-1976	59	20	)	)	PUNCT
eurjchem-1976	59	21	.	.	PUNCT
eurjchem-1976	60	1	compound	compound	PROPN
eurjchem-1976	60	2	pec50	pec50	PROPN
eurjchem-1976	60	3	exp	exp	NOUN
eurjchem-1976	60	4	.	.	PUNCT
eurjchem-1976	61	1	pec50	pec50	PROPN
eurjchem-1976	61	2	pred	pre	VERB
eurjchem-1976	61	3	.	.	PUNCT
eurjchem-1976	62	1	residuals	residual	NOUN
eurjchem-1976	62	2	cv	cv	PROPN
eurjchem-1976	62	3	pred	pre	VERB
eurjchem-1976	62	4	.	.	PUNCT
eurjchem-1976	63	1	residuals	residual	NOUN
eurjchem-1976	63	2	1	1	NUM
eurjchem-1976	63	3	5.0000	5.0000	NUM
eurjchem-1976	63	4	5.1001	5.1001	NUM
eurjchem-1976	63	5	-0.1001	-0.1001	NOUN
eurjchem-1976	63	6	5.1383	5.1383	NUM
eurjchem-1976	63	7	-0.1383	-0.1383	NOUN
eurjchem-1976	63	8	3	3	NUM
eurjchem-1976	63	9	4.3770	4.3770	NUM
eurjchem-1976	63	10	4.5695	4.5695	NUM
eurjchem-1976	63	11	-0.1925	-0.1925	NOUN
eurjchem-1976	63	12	4.7145	4.7145	NUM
eurjchem-1976	63	13	-0.3375	-0.3375	NOUN
eurjchem-1976	63	14	4	4	NUM
eurjchem-1976	63	15	5.2080	5.2080	NUM
eurjchem-1976	63	16	4.9679	4.9679	NUM
eurjchem-1976	63	17	0.2401	0.2401	NUM
eurjchem-1976	63	18	4.9343	4.9343	NUM
eurjchem-1976	63	19	0.2737	0.2737	NUM
eurjchem-1976	63	20	5	5	NUM
eurjchem-1976	63	21	5.1940	5.1940	NUM
eurjchem-1976	63	22	5.1165	5.1165	NUM
eurjchem-1976	63	23	0.0775	0.0775	NUM
eurjchem-1976	63	24	5.1021	5.1021	NUM
eurjchem-1976	63	25	0.0919	0.0919	NUM
eurjchem-1976	63	26	6	6	NUM
eurjchem-1976	63	27	4.9590	4.9590	NUM
eurjchem-1976	63	28	5.0095	5.0095	NUM
eurjchem-1976	63	29	-0.0505	-0.0505	NOUN
eurjchem-1976	63	30	5.0151	5.0151	NUM
eurjchem-1976	63	31	-0.0561	-0.0561	NOUN
eurjchem-1976	63	32	7	7	NUM
eurjchem-1976	64	1	5.0510	5.0510	NUM
eurjchem-1976	64	2	5.1412	5.1412	NUM
eurjchem-1976	64	3	-0.0902	-0.0902	NOUN
eurjchem-1976	64	4	5.1837	5.1837	NUM
eurjchem-1976	64	5	-0.1327	-0.1327	NOUN
eurjchem-1976	64	6	9	9	NUM
eurjchem-1976	64	7	4.8540	4.8540	NUM
eurjchem-1976	64	8	4.8826	4.8826	NUM
eurjchem-1976	64	9	-0.0286	-0.0286	ADJ
eurjchem-1976	64	10	4.8875	4.8875	NUM
eurjchem-1976	64	11	-0.0335	-0.0335	NOUN
eurjchem-1976	64	12	10	10	NUM
eurjchem-1976	64	13	5.2080	5.2080	NUM
eurjchem-1976	64	14	5.0816	5.0816	NUM
eurjchem-1976	64	15	0.1264	0.1264	NUM
eurjchem-1976	64	16	5.0616	5.0616	NUM
eurjchem-1976	64	17	0.1464	0.1464	NUM
eurjchem-1976	64	18	11	11	NUM
eurjchem-1976	64	19	5.0710	5.0710	NUM
eurjchem-1976	64	20	5.0972	5.0972	NUM
eurjchem-1976	64	21	-0.0262	-0.0262	NOUN
eurjchem-1976	64	22	5.1141	5.1141	NUM
eurjchem-1976	64	23	-0.0431	-0.0431	NOUN
eurjchem-1976	64	24	13	13	NUM
eurjchem-1976	64	25	5.0970	5.0970	NUM
eurjchem-1976	64	26	5.1425	5.1425	NUM
eurjchem-1976	64	27	-0.0455	-0.0455	NOUN
eurjchem-1976	64	28	5.1541	5.1541	NUM
eurjchem-1976	64	29	-0.0571	-0.0571	NOUN
eurjchem-1976	64	30	14	14	NUM
eurjchem-1976	65	1	5.2010	5.2010	NUM
eurjchem-1976	65	2	5.2244	5.2244	NUM
eurjchem-1976	65	3	-0.0234	-0.0234	NOUN
eurjchem-1976	65	4	5.2324	5.2324	NUM
eurjchem-1976	65	5	-0.0314	-0.0314	NOUN
eurjchem-1976	65	6	15	15	NUM
eurjchem-1976	66	1	5.2290	5.2290	NUM
eurjchem-1976	66	2	5.1971	5.1971	NUM
eurjchem-1976	66	3	0.0319	0.0319	NUM
eurjchem-1976	66	4	5.1860	5.1860	NUM
eurjchem-1976	66	5	0.0430	0.0430	NUM
eurjchem-1976	66	6	16	16	NUM
eurjchem-1976	66	7	5.3770	5.3770	NUM
eurjchem-1976	66	8	5.2095	5.2095	NUM
eurjchem-1976	66	9	0.1675	0.1675	NUM
eurjchem-1976	66	10	5.1538	5.1538	NUM
eurjchem-1976	66	11	0.2232	0.2232	NUM
eurjchem-1976	66	12	18	18	NUM
eurjchem-1976	66	13	6.0970	6.0970	NUM
eurjchem-1976	66	14	6.1753	6.1753	NUM
eurjchem-1976	66	15	-0.0783	-0.0783	NOUN
eurjchem-1976	66	16	6.2502	6.2502	NUM
eurjchem-1976	66	17	-0.1532	-0.1532	NOUN
eurjchem-1976	67	1	19	19	NUM
eurjchem-1976	67	2	6.2080	6.2080	NUM
eurjchem-1976	67	3	6.2160	6.2160	NUM
eurjchem-1976	67	4	-0.0080	-0.0080	NOUN
eurjchem-1976	67	5	6.2228	6.2228	NUM
eurjchem-1976	67	6	-0.0148	-0.0148	NOUN
eurjchem-1976	68	1	pec50	pec50	NOUN
eurjchem-1976	68	2	=	=	NOUN
eurjchem-1976	68	3	1.63148	1.63148	NUM
eurjchem-1976	68	4	+	+	NUM
eurjchem-1976	68	5	0.60842	0.60842	NUM
eurjchem-1976	68	6	×	×	NOUN
eurjchem-1976	68	7	log	log	NOUN
eurjchem-1976	68	8	p(o	p(o	NOUN
eurjchem-1976	68	9	/	/	SYM
eurjchem-1976	68	10	w	w	NOUN
eurjchem-1976	68	11	)	)	PUNCT
eurjchem-1976	68	12	0.01141	0.01141	NUM
eurjchem-1976	68	13	×	×	NOUN
eurjchem-1976	68	14	inr	inr	PROPN
eurjchem-1976	69	1	+	+	CCONJ
eurjchem-1976	69	2	0.00547	0.00547	NUM
eurjchem-1976	69	3	×	×	NOUN
eurjchem-1976	69	4	t	t	PROPN
eurjchem-1976	69	5	-	-	PUNCT
eurjchem-1976	69	6	psa	psa	NOUN
eurjchem-1976	69	7	(	(	PUNCT
eurjchem-1976	69	8	1	1	NUM
eurjchem-1976	69	9	)	)	PUNCT
eurjchem-1976	69	10	pec50	pec50	NOUN
eurjchem-1976	69	11	=	=	PUNCT
eurjchem-1976	69	12	-5.14822	-5.14822	NOUN
eurjchem-1976	69	13	+	+	CCONJ
eurjchem-1976	69	14	0.39163	0.39163	NUM
eurjchem-1976	69	15	×	×	NOUN
eurjchem-1976	69	16	log	log	NOUN
eurjchem-1976	69	17	p(o	p(o	NOUN
eurjchem-1976	69	18	/	/	SYM
eurjchem-1976	69	19	w	w	NOUN
eurjchem-1976	69	20	)	)	PUNCT
eurjchem-1976	70	1	+	+	NUM
eurjchem-1976	70	2	0.00728	0.00728	NUM
eurjchem-1976	70	3	×	×	NOUN
eurjchem-1976	70	4	mv	mv	NOUN
eurjchem-1976	70	5	+	+	NOUN
eurjchem-1976	70	6	5.51570	5.51570	NUM
eurjchem-1976	70	7	×	×	NOUN
eurjchem-1976	70	8	d	d	X
eurjchem-1976	70	9	(	(	PUNCT
eurjchem-1976	70	10	2	2	NUM
eurjchem-1976	70	11	)	)	PUNCT
eurjchem-1976	70	12	pec50	pec50	NOUN
eurjchem-1976	70	13	=	=	PUNCT
eurjchem-1976	70	14	3.16492	3.16492	NUM
eurjchem-1976	70	15	+	+	NUM
eurjchem-1976	70	16	0.12375	0.12375	NUM
eurjchem-1976	70	17	×	×	NOUN
eurjchem-1976	70	18	log	log	NOUN
eurjchem-1976	70	19	p(o	p(o	NOUN
eurjchem-1976	70	20	/	/	SYM
eurjchem-1976	70	21	w	w	NOUN
eurjchem-1976	70	22	)	)	PUNCT
eurjchem-1976	70	23	+	+	NOUN
eurjchem-1976	71	1	6.97797	6.97797	NUM
eurjchem-1976	71	2	×	×	NOUN
eurjchem-1976	71	3	d	d	X
eurjchem-1976	71	4	0.12652	0.12652	NUM
eurjchem-1976	71	5	×	×	PROPN
eurjchem-1976	71	6	st	st	PROPN
eurjchem-1976	71	7	(	(	PUNCT
eurjchem-1976	71	8	3	3	NUM
eurjchem-1976	71	9	)	)	PUNCT
eurjchem-1976	71	10	pec50	pec50	NOUN
eurjchem-1976	71	11	=	=	PUNCT
eurjchem-1976	71	12	1.85725	1.85725	NUM
eurjchem-1976	71	13	+	+	NUM
eurjchem-1976	71	14	0.61188	0.61188	NUM
eurjchem-1976	71	15	×	×	NOUN
eurjchem-1976	71	16	log	log	NOUN
eurjchem-1976	71	17	p(o	p(o	NOUN
eurjchem-1976	71	18	/	/	SYM
eurjchem-1976	71	19	w	w	NOUN
eurjchem-1976	71	20	)	)	PUNCT
eurjchem-1976	71	21	+	+	CCONJ
eurjchem-1976	71	22	0.00560	0.00560	NUM
eurjchem-1976	71	23	×	×	NOUN
eurjchem-1976	71	24	t	t	PROPN
eurjchem-1976	71	25	-	-	PUNCT
eurjchem-1976	71	26	psa	psa	VERB
eurjchem-1976	71	27	0.00363	0.00363	NUM
eurjchem-1976	71	28	×	×	NOUN
eurjchem-1976	71	29	s	s	NOUN
eurjchem-1976	71	30	-	-	NOUN
eurjchem-1976	71	31	apol	apol	NOUN
eurjchem-1976	71	32	(	(	PUNCT
eurjchem-1976	71	33	4	4	NUM
eurjchem-1976	71	34	)	)	PUNCT
eurjchem-1976	72	1	pec50	pec50	NOUN
eurjchem-1976	72	2	=	=	SYM
eurjchem-1976	72	3	5.53650	5.53650	NUM
eurjchem-1976	72	4	+	+	NUM
eurjchem-1976	72	5	0.44173	0.44173	NUM
eurjchem-1976	72	6	×	×	NOUN
eurjchem-1976	72	7	log	log	NOUN
eurjchem-1976	72	8	p(o	p(o	NOUN
eurjchem-1976	72	9	/	/	SYM
eurjchem-1976	72	10	w	w	NOUN
eurjchem-1976	72	11	)	)	PUNCT
eurjchem-1976	72	12	0.06791	0.06791	NUM
eurjchem-1976	72	13	×	×	PROPN
eurjchem-1976	72	14	st	st	PROPN
eurjchem-1976	73	1	+	+	CCONJ
eurjchem-1976	73	2	0.00455	0.00455	NUM
eurjchem-1976	73	3	×	×	PROPN
eurjchem-1976	73	4	t	t	PROPN
eurjchem-1976	73	5	-	-	PUNCT
eurjchem-1976	73	6	psa	psa	NOUN
eurjchem-1976	73	7	(	(	PUNCT
eurjchem-1976	73	8	5	5	NUM
eurjchem-1976	73	9	)	)	PUNCT
eurjchem-1976	73	10	2.1.3	2.1.3	NUM
eurjchem-1976	73	11	.	.	PUNCT
eurjchem-1976	73	12	qsar	qsar	PROPN
eurjchem-1976	73	13	model	model	PROPN
eurjchem-1976	73	14	development	development	PROPN
eurjchem-1976	73	15	the	the	DET
eurjchem-1976	73	16	qsar	qsar	PROPN
eurjchem-1976	73	17	model	model	NOUN
eurjchem-1976	73	18	were	be	AUX
eurjchem-1976	73	19	developed	develop	VERB
eurjchem-1976	73	20	from	from	ADP
eurjchem-1976	73	21	the	the	DET
eurjchem-1976	73	22	training	training	NOUN
eurjchem-1976	73	23	set	set	NOUN
eurjchem-1976	73	24	compounds	compound	NOUN
eurjchem-1976	73	25	where	where	SCONJ
eurjchem-1976	73	26	the	the	DET
eurjchem-1976	73	27	independent	independent	ADJ
eurjchem-1976	73	28	variables	variable	NOUN
eurjchem-1976	73	29	molecular	molecular	ADJ
eurjchem-1976	73	30	descriptors	descriptor	NOUN
eurjchem-1976	73	31	and	and	CCONJ
eurjchem-1976	73	32	dependent	dependent	ADJ
eurjchem-1976	73	33	response	response	NOUN
eurjchem-1976	73	34	variable	variable	NOUN
eurjchem-1976	73	35	(	(	PUNCT
eurjchem-1976	73	36	pec50	pec50	PROPN
eurjchem-1976	73	37	)	)	PUNCT
eurjchem-1976	73	38	were	be	AUX
eurjchem-1976	73	39	subjected	subject	VERB
eurjchem-1976	73	40	to	to	ADP
eurjchem-1976	73	41	multiple	multiple	ADJ
eurjchem-1976	73	42	linear	linear	ADJ
eurjchem-1976	73	43	regressions	regression	NOUN
eurjchem-1976	73	44	(	(	PUNCT
eurjchem-1976	73	45	mlr	mlr	NOUN
eurjchem-1976	73	46	)	)	PUNCT
eurjchem-1976	73	47	analysis	analysis	NOUN
eurjchem-1976	73	48	,	,	PUNCT
eurjchem-1976	73	49	several	several	ADJ
eurjchem-1976	73	50	qsar	qsar	NOUN
eurjchem-1976	73	51	models	model	NOUN
eurjchem-1976	73	52	were	be	AUX
eurjchem-1976	73	53	developed	develop	VERB
eurjchem-1976	73	54	.	.	PUNCT
eurjchem-1976	74	1	the	the	DET
eurjchem-1976	74	2	comparison	comparison	NOUN
eurjchem-1976	74	3	of	of	ADP
eurjchem-1976	74	4	squared	square	VERB
eurjchem-1976	74	5	correlation	correlation	NOUN
eurjchem-1976	74	6	coefficients	coefficient	NOUN
eurjchem-1976	74	7	of	of	ADP
eurjchem-1976	74	8	the	the	DET
eurjchem-1976	74	9	models	model	NOUN
eurjchem-1976	74	10	reported	report	VERB
eurjchem-1976	74	11	in	in	ADP
eurjchem-1976	74	12	table	table	NOUN
eurjchem-1976	74	13	3	3	NUM
eurjchem-1976	74	14	.	.	PUNCT
eurjchem-1976	75	1	the	the	DET
eurjchem-1976	75	2	resulting	result	VERB
eurjchem-1976	75	3	qsar	qsar	NOUN
eurjchem-1976	75	4	model	model	NOUN
eurjchem-1976	75	5	equation	equation	NOUN
eurjchem-1976	75	6	(	(	PUNCT
eurjchem-1976	75	7	3	3	X
eurjchem-1976	75	8	)	)	PUNCT
eurjchem-1976	75	9	exhibited	exhibit	VERB
eurjchem-1976	75	10	a	a	DET
eurjchem-1976	75	11	high	high	ADJ
eurjchem-1976	75	12	regression	regression	NOUN
eurjchem-1976	75	13	coefficient	coefficient	NOUN
eurjchem-1976	75	14	.	.	PUNCT
eurjchem-1976	76	1	the	the	DET
eurjchem-1976	76	2	model	model	NOUN
eurjchem-1976	76	3	was	be	AUX
eurjchem-1976	76	4	justified	justify	VERB
eurjchem-1976	76	5	by	by	ADP
eurjchem-1976	76	6	statistical	statistical	ADJ
eurjchem-1976	76	7	parameters	parameter	NOUN
eurjchem-1976	76	8	such	such	ADJ
eurjchem-1976	76	9	as	as	ADP
eurjchem-1976	76	10	the	the	DET
eurjchem-1976	76	11	correlation	correlation	NOUN
eurjchem-1976	76	12	coefficient	coefficient	NOUN
eurjchem-1976	76	13	(	(	PUNCT
eurjchem-1976	76	14	r	r	NOUN
eurjchem-1976	76	15	)	)	PUNCT
eurjchem-1976	76	16	,	,	PUNCT
eurjchem-1976	76	17	squared	square	VERB
eurjchem-1976	76	18	correlation	correlation	NOUN
eurjchem-1976	76	19	coefficient	coefficient	NOUN
eurjchem-1976	76	20	(	(	PUNCT
eurjchem-1976	76	21	r2	r2	PROPN
eurjchem-1976	76	22	)	)	PUNCT
eurjchem-1976	76	23	,	,	PUNCT
eurjchem-1976	76	24	cross	cross	ADJ
eurjchem-1976	76	25	-	-	ADJ
eurjchem-1976	76	26	validated	validated	ADJ
eurjchem-1976	76	27	regression	regression	NOUN
eurjchem-1976	76	28	coefficient	coefficient	NOUN
eurjchem-1976	76	29	(	(	PUNCT
eurjchem-1976	76	30	q2	q2	NOUN
eurjchem-1976	76	31	)	)	PUNCT
eurjchem-1976	76	32	,	,	PUNCT
eurjchem-1976	76	33	standard	standard	ADJ
eurjchem-1976	76	34	error	error	NOUN
eurjchem-1976	76	35	of	of	ADP
eurjchem-1976	76	36	estimate	estimate	NOUN
eurjchem-1976	76	37	(	(	PUNCT
eurjchem-1976	76	38	s	s	NOUN
eurjchem-1976	76	39	)	)	PUNCT
eurjchem-1976	76	40	,	,	PUNCT
eurjchem-1976	76	41	f	f	X
eurjchem-1976	76	42	-	-	PUNCT
eurjchem-1976	76	43	test	test	NOUN
eurjchem-1976	76	44	value	value	NOUN
eurjchem-1976	76	45	(	(	PUNCT
eurjchem-1976	76	46	f	f	NOUN
eurjchem-1976	76	47	)	)	PUNCT
eurjchem-1976	76	48	,	,	PUNCT
eurjchem-1976	76	49	and	and	CCONJ
eurjchem-1976	76	50	the	the	DET
eurjchem-1976	76	51	root	root	NOUN
eurjchem-1976	76	52	mean	mean	VERB
eurjchem-1976	76	53	squared	square	VERB
eurjchem-1976	76	54	error	error	NOUN
eurjchem-1976	76	55	(	(	PUNCT
eurjchem-1976	76	56	rmse	rmse	NOUN
eurjchem-1976	76	57	)	)	PUNCT
eurjchem-1976	76	58	,	,	PUNCT
eurjchem-1976	76	59	and	and	CCONJ
eurjchem-1976	76	60	validated	validate	VERB
eurjchem-1976	76	61	using	use	VERB
eurjchem-1976	76	62	random	random	ADJ
eurjchem-1976	76	63	test	test	NOUN
eurjchem-1976	76	64	set	set	VERB
eurjchem-1976	76	65	compounds	compound	NOUN
eurjchem-1976	76	66	table	table	NOUN
eurjchem-1976	76	67	4	4	NUM
eurjchem-1976	76	68	,	,	PUNCT
eurjchem-1976	76	69	and	and	CCONJ
eurjchem-1976	76	70	was	be	AUX
eurjchem-1976	76	71	evaluated	evaluate	VERB
eurjchem-1976	76	72	for	for	ADP
eurjchem-1976	76	73	the	the	DET
eurjchem-1976	76	74	robustness	robustness	NOUN
eurjchem-1976	76	75	of	of	ADP
eurjchem-1976	76	76	its	its	PRON
eurjchem-1976	76	77	predictions	prediction	NOUN
eurjchem-1976	76	78	via	via	ADP
eurjchem-1976	76	79	the	the	DET
eurjchem-1976	76	80	cross	cross	ADJ
eurjchem-1976	76	81	-	-	ADJ
eurjchem-1976	76	82	validation	validation	ADJ
eurjchem-1976	76	83	coefficient	coefficient	NOUN
eurjchem-1976	76	84	.	.	PUNCT
eurjchem-1976	77	1	2.1.4	2.1.4	X
eurjchem-1976	77	2	.	.	PUNCT
eurjchem-1976	78	1	validation	validation	NOUN
eurjchem-1976	78	2	of	of	ADP
eurjchem-1976	78	3	qsar	qsar	NOUN
eurjchem-1976	78	4	model	model	NOUN
eurjchem-1976	78	5	the	the	DET
eurjchem-1976	78	6	developed	develop	VERB
eurjchem-1976	78	7	model	model	NOUN
eurjchem-1976	78	8	was	be	AUX
eurjchem-1976	78	9	validated	validate	VERB
eurjchem-1976	78	10	internally	internally	ADV
eurjchem-1976	78	11	by	by	ADP
eurjchem-1976	78	12	training	train	VERB
eurjchem-1976	78	13	set	set	VERB
eurjchem-1976	78	14	compounds	compound	NOUN
eurjchem-1976	78	15	using	use	VERB
eurjchem-1976	78	16	leave	leave	VERB
eurjchem-1976	78	17	-	-	PUNCT
eurjchem-1976	78	18	one	one	NUM
eurjchem-1976	78	19	-	-	PUNCT
eurjchem-1976	78	20	out	out	NOUN
eurjchem-1976	78	21	(	(	PUNCT
eurjchem-1976	78	22	loo	loo	NOUN
eurjchem-1976	78	23	)	)	PUNCT
eurjchem-1976	78	24	cross	cross	ADJ
eurjchem-1976	78	25	-	-	ADJ
eurjchem-1976	78	26	validation	validation	ADJ
eurjchem-1976	78	27	technique	technique	NOUN
eurjchem-1976	78	28	.	.	PUNCT
eurjchem-1976	79	1	in	in	ADP
eurjchem-1976	79	2	this	this	DET
eurjchem-1976	79	3	technique	technique	NOUN
eurjchem-1976	79	4	,	,	PUNCT
eurjchem-1976	79	5	one	one	NUM
eurjchem-1976	79	6	compound	compound	NOUN
eurjchem-1976	79	7	is	be	AUX
eurjchem-1976	79	8	eliminated	eliminate	VERB
eurjchem-1976	79	9	from	from	ADP
eurjchem-1976	79	10	the	the	DET
eurjchem-1976	79	11	data	datum	NOUN
eurjchem-1976	79	12	set	set	VERB
eurjchem-1976	79	13	at	at	ADP
eurjchem-1976	79	14	random	random	ADJ
eurjchem-1976	79	15	in	in	ADP
eurjchem-1976	79	16	each	each	DET
eurjchem-1976	79	17	cycle	cycle	NOUN
eurjchem-1976	79	18	and	and	CCONJ
eurjchem-1976	79	19	the	the	DET
eurjchem-1976	79	20	model	model	NOUN
eurjchem-1976	79	21	is	be	AUX
eurjchem-1976	79	22	built	build	VERB
eurjchem-1976	79	23	using	use	VERB
eurjchem-1976	79	24	the	the	DET
eurjchem-1976	79	25	rest	rest	NOUN
eurjchem-1976	79	26	of	of	ADP
eurjchem-1976	79	27	the	the	DET
eurjchem-1976	79	28	compounds	compound	NOUN
eurjchem-1976	79	29	.	.	PUNCT
eurjchem-1976	80	1	the	the	DET
eurjchem-1976	80	2	model	model	NOUN
eurjchem-1976	80	3	thus	thus	ADV
eurjchem-1976	80	4	formed	form	VERB
eurjchem-1976	80	5	is	be	AUX
eurjchem-1976	80	6	used	use	VERB
eurjchem-1976	80	7	for	for	ADP
eurjchem-1976	80	8	predicting	predict	VERB
eurjchem-1976	80	9	the	the	DET
eurjchem-1976	80	10	activity	activity	NOUN
eurjchem-1976	80	11	of	of	ADP
eurjchem-1976	80	12	the	the	DET
eurjchem-1976	80	13	eliminated	eliminate	VERB
eurjchem-1976	80	14	compound	compound	NOUN
eurjchem-1976	80	15	.	.	PUNCT
eurjchem-1976	81	1	the	the	DET
eurjchem-1976	81	2	process	process	NOUN
eurjchem-1976	81	3	is	be	AUX
eurjchem-1976	81	4	repeated	repeat	VERB
eurjchem-1976	81	5	until	until	SCONJ
eurjchem-1976	81	6	all	all	DET
eurjchem-1976	81	7	the	the	DET
eurjchem-1976	81	8	compounds	compound	NOUN
eurjchem-1976	81	9	are	be	AUX
eurjchem-1976	81	10	eliminated	eliminate	VERB
eurjchem-1976	81	11	once	once	ADV
eurjchem-1976	81	12	.	.	PUNCT
eurjchem-1976	82	1	the	the	DET
eurjchem-1976	82	2	cross	cross	ADJ
eurjchem-1976	82	3	-	-	ADJ
eurjchem-1976	82	4	validated	validated	ADJ
eurjchem-1976	82	5	regression	regression	NOUN
eurjchem-1976	82	6	coefficient	coefficient	NOUN
eurjchem-1976	82	7	(	(	PUNCT
eurjchem-1976	82	8	q2	q2	NOUN
eurjchem-1976	82	9	)	)	PUNCT
eurjchem-1976	82	10	was	be	AUX
eurjchem-1976	82	11	calculated	calculate	VERB
eurjchem-1976	82	12	.	.	PUNCT
eurjchem-1976	83	1	external	external	ADJ
eurjchem-1976	83	2	validation	validation	NOUN
eurjchem-1976	83	3	was	be	AUX
eurjchem-1976	83	4	performed	perform	VERB
eurjchem-1976	83	5	in	in	ADP
eurjchem-1976	83	6	order	order	NOUN
eurjchem-1976	83	7	to	to	PART
eurjchem-1976	83	8	determine	determine	VERB
eurjchem-1976	83	9	the	the	DET
eurjchem-1976	83	10	predictive	predictive	ADJ
eurjchem-1976	83	11	capacity	capacity	NOUN
eurjchem-1976	83	12	of	of	ADP
eurjchem-1976	83	13	the	the	DET
eurjchem-1976	83	14	developed	develop	VERB
eurjchem-1976	83	15	model	model	NOUN
eurjchem-1976	83	16	as	as	SCONJ
eurjchem-1976	83	17	judged	judge	VERB
eurjchem-1976	83	18	by	by	ADP
eurjchem-1976	83	19	its	its	PRON
eurjchem-1976	83	20	application	application	NOUN
eurjchem-1976	83	21	for	for	ADP
eurjchem-1976	83	22	the	the	DET
eurjchem-1976	83	23	prediction	prediction	NOUN
eurjchem-1976	83	24	of	of	ADP
eurjchem-1976	83	25	test	test	NOUN
eurjchem-1976	83	26	set	set	VERB
eurjchem-1976	83	27	activity	activity	NOUN
eurjchem-1976	83	28	values	value	NOUN
eurjchem-1976	83	29	.	.	PUNCT
eurjchem-1976	84	1	the	the	DET
eurjchem-1976	84	2	observed	observe	VERB
eurjchem-1976	84	3	activities	activity	NOUN
eurjchem-1976	84	4	and	and	CCONJ
eurjchem-1976	84	5	those	those	PRON
eurjchem-1976	84	6	calculated	calculate	VERB
eurjchem-1976	84	7	by	by	ADP
eurjchem-1976	84	8	qsar	qsar	NOUN
eurjchem-1976	84	9	model	model	NOUN
eurjchem-1976	84	10	(	(	PUNCT
eurjchem-1976	84	11	equation	equation	NOUN
eurjchem-1976	84	12	3	3	NUM
eurjchem-1976	84	13	)	)	PUNCT
eurjchem-1976	84	14	for	for	ADP
eurjchem-1976	84	15	training	training	NOUN
eurjchem-1976	84	16	set	set	NOUN
eurjchem-1976	84	17	and	and	CCONJ
eurjchem-1976	84	18	test	test	NOUN
eurjchem-1976	84	19	set	set	VERB
eurjchem-1976	84	20	were	be	AUX
eurjchem-1976	84	21	presented	present	VERB
eurjchem-1976	84	22	in	in	ADP
eurjchem-1976	84	23	table	table	NOUN
eurjchem-1976	84	24	5	5	NUM
eurjchem-1976	84	25	and	and	CCONJ
eurjchem-1976	84	26	6	6	NUM
eurjchem-1976	84	27	.	.	X
eurjchem-1976	84	28	190	190	NUM
eurjchem-1976	84	29	mohamed	mohame	VERB
eurjchem-1976	84	30	et	et	PROPN
eurjchem-1976	84	31	al	al	PROPN
eurjchem-1976	84	32	.	.	PUNCT
eurjchem-1976	84	33	/	/	SYM
eurjchem-1976	84	34	european	european	PROPN
eurjchem-1976	84	35	journal	journal	PROPN
eurjchem-1976	84	36	of	of	ADP
eurjchem-1976	84	37	chemistry	chemistry	NOUN
eurjchem-1976	84	38	11	11	NUM
eurjchem-1976	84	39	(	(	PUNCT
eurjchem-1976	84	40	3	3	NUM
eurjchem-1976	84	41	)	)	PUNCT
eurjchem-1976	84	42	(	(	PUNCT
eurjchem-1976	84	43	2020	2020	NUM
eurjchem-1976	84	44	)	)	PUNCT
eurjchem-1976	84	45	187	187	NUM
eurjchem-1976	84	46	-	-	SYM
eurjchem-1976	84	47	193	193	NUM
eurjchem-1976	84	48	2020	2020	NUM
eurjchem-1976	84	49	–	–	PUNCT
eurjchem-1976	84	50	european	european	ADJ
eurjchem-1976	84	51	journal	journal	NOUN
eurjchem-1976	84	52	of	of	ADP
eurjchem-1976	84	53	chemistry	chemistry	NOUN
eurjchem-1976	84	54	–	–	PUNCT
eurjchem-1976	84	55	cc	cc	NOUN
eurjchem-1976	84	56	by	by	ADP
eurjchem-1976	84	57	nc	nc	PROPN
eurjchem-1976	84	58	–	–	PUNCT
eurjchem-1976	84	59	doi	doi	PROPN
eurjchem-1976	84	60	:	:	PUNCT
eurjchem-1976	84	61	10.5155	10.5155	NUM
eurjchem-1976	84	62	/	/	SYM
eurjchem-1976	84	63	eurjchem.11.3.187	eurjchem.11.3.187	NUM
eurjchem-1976	84	64	-	-	PUNCT
eurjchem-1976	84	65	193.1976	193.1976	NUM
eurjchem-1976	84	66	table	table	NOUN
eurjchem-1976	84	67	6	6	NUM
eurjchem-1976	84	68	.	.	PUNCT
eurjchem-1976	85	1	predicted	predict	VERB
eurjchem-1976	85	2	pec50	pec50	PROPN
eurjchem-1976	85	3	values	value	NOUN
eurjchem-1976	85	4	of	of	ADP
eurjchem-1976	85	5	test	test	NOUN
eurjchem-1976	85	6	set	set	VERB
eurjchem-1976	85	7	compound	compound	NOUN
eurjchem-1976	85	8	pec50	pec50	PROPN
eurjchem-1976	85	9	exp	exp	NOUN
eurjchem-1976	85	10	.	.	PUNCT
eurjchem-1976	86	1	pec50	pec50	PROPN
eurjchem-1976	86	2	pred	pre	VERB
eurjchem-1976	86	3	.	.	PUNCT
eurjchem-1976	87	1	residuals	residual	NOUN
eurjchem-1976	87	2	2	2	NUM
eurjchem-1976	87	3	5.0360	5.0360	NUM
eurjchem-1976	87	4	4.5665	4.5665	NUM
eurjchem-1976	87	5	0.4695	0.4695	NUM
eurjchem-1976	87	6	8	8	NUM
eurjchem-1976	87	7	5.1940	5.1940	NUM
eurjchem-1976	87	8	4.9549	4.9549	NUM
eurjchem-1976	87	9	0.2391	0.2391	NUM
eurjchem-1976	87	10	12	12	NUM
eurjchem-1976	87	11	5.2080	5.2080	NUM
eurjchem-1976	87	12	5.1417	5.1417	NUM
eurjchem-1976	87	13	0.0663	0.0663	NUM
eurjchem-1976	87	14	17	17	NUM
eurjchem-1976	87	15	5.6380	5.6380	NUM
eurjchem-1976	87	16	6.1317	6.1317	NUM
eurjchem-1976	87	17	-0.4937	-0.4937	NOUN
eurjchem-1976	87	18	table	table	NOUN
eurjchem-1976	87	19	7	7	NUM
eurjchem-1976	87	20	.	.	PUNCT
eurjchem-1976	87	21	structures	structure	NOUN
eurjchem-1976	87	22	and	and	CCONJ
eurjchem-1976	87	23	predicted	predict	VERB
eurjchem-1976	87	24	pec50	pec50	PROPN
eurjchem-1976	87	25	values	value	NOUN
eurjchem-1976	87	26	for	for	ADP
eurjchem-1976	87	27	designed	design	VERB
eurjchem-1976	87	28	3,5	3,5	NUM
eurjchem-1976	87	29	-	-	PUNCT
eurjchem-1976	87	30	dimethyl-4	dimethyl-4	ADV
eurjchem-1976	87	31	-	-	PUNCT
eurjchem-1976	87	32	substituted	substitute	VERB
eurjchem-1976	87	33	-	-	PUNCT
eurjchem-1976	87	34	pyrazole	pyrazole	NOUN
eurjchem-1976	87	35	derivatives	derivative	NOUN
eurjchem-1976	87	36	against	against	ADP
eurjchem-1976	87	37	human	human	ADJ
eurjchem-1976	87	38	pancreatic	pancreatic	ADJ
eurjchem-1976	87	39	cancer	cancer	NOUN
eurjchem-1976	87	40	cell	cell	NOUN
eurjchem-1976	87	41	line	line	NOUN
eurjchem-1976	87	42	(	(	PUNCT
eurjchem-1976	87	43	mia	mia	NOUN
eurjchem-1976	87	44	paca-2	paca-2	PROPN
eurjchem-1976	87	45	)	)	PUNCT
eurjchem-1976	87	46	.	.	PUNCT
eurjchem-1976	88	1	n	n	PRON
eurjchem-1976	88	2	h	h	NOUN
eurjchem-1976	88	3	n	n	CCONJ
eurjchem-1976	88	4	n	n	PROPN
eurjchem-1976	88	5	ch3	ch3	PROPN
eurjchem-1976	88	6	n	n	PROPN
eurjchem-1976	88	7	ch3	ch3	PROPN
eurjchem-1976	88	8	n	n	PROPN
eurjchem-1976	88	9	obr	obr	PROPN
eurjchem-1976	88	10	n	n	CCONJ
eurjchem-1976	88	11	o	o	NOUN
eurjchem-1976	88	12	r	r	NOUN
eurjchem-1976	88	13	n	n	NOUN
eurjchem-1976	88	14	h	h	NOUN
eurjchem-1976	88	15	n	n	CCONJ
eurjchem-1976	88	16	n	n	PROPN
eurjchem-1976	88	17	ch3	ch3	PROPN
eurjchem-1976	88	18	n	n	PROPN
eurjchem-1976	88	19	ch3	ch3	PROPN
eurjchem-1976	88	20	n	n	CCONJ
eurjchem-1976	88	21	obr	obr	PROPN
eurjchem-1976	88	22	n	n	PROPN
eurjchem-1976	88	23	nh	nh	NOUN
eurjchem-1976	88	24	r	r	NOUN
eurjchem-1976	89	1	hn	hn	PROPN
eurjchem-1976	89	2	n	n	ADV
eurjchem-1976	89	3	h3c	h3c	VERB
eurjchem-1976	89	4	n	n	CCONJ
eurjchem-1976	89	5	ch3	ch3	PROPN
eurjchem-1976	89	6	n	n	ADP
eurjchem-1976	89	7	r	r	NOUN
eurjchem-1976	89	8	o	o	NOUN
eurjchem-1976	89	9	1	1	NUM
eurjchem-1976	89	10	-	-	SYM
eurjchem-1976	89	11	5	5	NUM
eurjchem-1976	89	12	6	6	NUM
eurjchem-1976	89	13	-	-	SYM
eurjchem-1976	89	14	10	10	NUM
eurjchem-1976	89	15	11	11	NUM
eurjchem-1976	89	16	-	-	SYM
eurjchem-1976	89	17	15	15	NUM
eurjchem-1976	89	18	compound	compound	NOUN
eurjchem-1976	89	19	r	r	NOUN
eurjchem-1976	89	20	pec50pred	pec50pre	VERB
eurjchem-1976	89	21	.	.	PUNCT
eurjchem-1976	90	1	1	1	NUM
eurjchem-1976	90	2	5.1410	5.1410	NUM
eurjchem-1976	90	3	2	2	NUM
eurjchem-1976	90	4	o	o	NOUN
eurjchem-1976	90	5	4.9845	4.9845	NUM
eurjchem-1976	90	6	3	3	NUM
eurjchem-1976	90	7	ch2	ch2	NOUN
eurjchem-1976	90	8	6.0610	6.0610	NUM
eurjchem-1976	90	9	4	4	NUM
eurjchem-1976	90	10	n	n	PRON
eurjchem-1976	90	11	ch3	ch3	PROPN
eurjchem-1976	90	12	ch3	ch3	PROPN
eurjchem-1976	90	13	5.3002	5.3002	NUM
eurjchem-1976	90	14	5	5	NUM
eurjchem-1976	90	15	oh	oh	NUM
eurjchem-1976	90	16	4.8785	4.8785	NUM
eurjchem-1976	90	17	6	6	NUM
eurjchem-1976	90	18	5.2189	5.2189	NUM
eurjchem-1976	90	19	7	7	NUM
eurjchem-1976	90	20	o	o	NOUN
eurjchem-1976	90	21	4.9615	4.9615	NUM
eurjchem-1976	90	22	8	8	NUM
eurjchem-1976	90	23	ch2	ch2	NOUN
eurjchem-1976	90	24	5.4439	5.4439	NUM
eurjchem-1976	90	25	9	9	NUM
eurjchem-1976	90	26	n	n	PRON
eurjchem-1976	90	27	ch3	ch3	PROPN
eurjchem-1976	90	28	ch3	ch3	PROPN
eurjchem-1976	90	29	5.4630	5.4630	NUM
eurjchem-1976	90	30	10	10	NUM
eurjchem-1976	91	1	oh	oh	NUM
eurjchem-1976	91	2	4.9848	4.9848	NUM
eurjchem-1976	91	3	11	11	NUM
eurjchem-1976	91	4	5.0520	5.0520	NUM
eurjchem-1976	91	5	12	12	NUM
eurjchem-1976	91	6	o	o	NOUN
eurjchem-1976	91	7	4.8002	4.8002	NUM
eurjchem-1976	91	8	13	13	NUM
eurjchem-1976	91	9	ch2	ch2	NOUN
eurjchem-1976	91	10	5.2539	5.2539	NUM
eurjchem-1976	91	11	14	14	NUM
eurjchem-1976	91	12	n	n	PROPN
eurjchem-1976	91	13	ch3	ch3	PROPN
eurjchem-1976	91	14	ch3	ch3	PROPN
eurjchem-1976	91	15	5.2989	5.2989	NUM
eurjchem-1976	91	16	15	15	NUM
eurjchem-1976	92	1	oh	oh	NUM
eurjchem-1976	92	2	4.7922	4.7922	NUM
eurjchem-1976	92	3	mohamed	mohame	VERB
eurjchem-1976	92	4	et	et	PROPN
eurjchem-1976	92	5	al	al	PROPN
eurjchem-1976	92	6	.	.	PUNCT
eurjchem-1976	92	7	/	/	SYM
eurjchem-1976	92	8	european	european	PROPN
eurjchem-1976	92	9	journal	journal	PROPN
eurjchem-1976	92	10	of	of	ADP
eurjchem-1976	92	11	chemistry	chemistry	NOUN
eurjchem-1976	92	12	11	11	NUM
eurjchem-1976	92	13	(	(	PUNCT
eurjchem-1976	92	14	3	3	NUM
eurjchem-1976	92	15	)	)	PUNCT
eurjchem-1976	92	16	(	(	PUNCT
eurjchem-1976	92	17	2020	2020	NUM
eurjchem-1976	92	18	)	)	PUNCT
eurjchem-1976	92	19	187	187	NUM
eurjchem-1976	92	20	-	-	SYM
eurjchem-1976	92	21	193	193	NUM
eurjchem-1976	92	22	191	191	NUM
eurjchem-1976	92	23	2020	2020	NUM
eurjchem-1976	92	24	–	–	PUNCT
eurjchem-1976	92	25	european	european	ADJ
eurjchem-1976	92	26	journal	journal	NOUN
eurjchem-1976	92	27	of	of	ADP
eurjchem-1976	92	28	chemistry	chemistry	NOUN
eurjchem-1976	92	29	–	–	PUNCT
eurjchem-1976	92	30	cc	cc	NOUN
eurjchem-1976	92	31	by	by	ADP
eurjchem-1976	92	32	nc	nc	PROPN
eurjchem-1976	92	33	–	–	PUNCT
eurjchem-1976	92	34	doi	doi	PROPN
eurjchem-1976	92	35	:	:	PUNCT
eurjchem-1976	92	36	10.5155	10.5155	NUM
eurjchem-1976	92	37	/	/	SYM
eurjchem-1976	92	38	eurjchem.11.3.187	eurjchem.11.3.187	NUM
eurjchem-1976	92	39	-	-	PUNCT
eurjchem-1976	92	40	193.1976	193.1976	NUM
eurjchem-1976	92	41	table	table	NOUN
eurjchem-1976	92	42	8	8	NUM
eurjchem-1976	92	43	.	.	PUNCT
eurjchem-1976	93	1	binding	bind	VERB
eurjchem-1976	93	2	scores	score	NOUN
eurjchem-1976	93	3	and	and	CCONJ
eurjchem-1976	93	4	interactions	interaction	NOUN
eurjchem-1976	93	5	of	of	ADP
eurjchem-1976	93	6	the	the	DET
eurjchem-1976	93	7	docked	dock	VERB
eurjchem-1976	93	8	designed	design	VERB
eurjchem-1976	93	9	3,5	3,5	NUM
eurjchem-1976	93	10	-	-	PUNCT
eurjchem-1976	93	11	dimethyl-4	dimethyl-4	ADV
eurjchem-1976	93	12	-	-	PUNCT
eurjchem-1976	93	13	substituted	substitute	VERB
eurjchem-1976	93	14	-	-	PUNCT
eurjchem-1976	93	15	pyrazole	pyrazole	NOUN
eurjchem-1976	93	16	derivatives	derivative	NOUN
eurjchem-1976	93	17	(	(	PUNCT
eurjchem-1976	93	18	1	1	NUM
eurjchem-1976	93	19	-	-	SYM
eurjchem-1976	93	20	15	15	NUM
eurjchem-1976	93	21	)	)	PUNCT
eurjchem-1976	93	22	on	on	ADP
eurjchem-1976	93	23	the	the	DET
eurjchem-1976	93	24	active	active	ADJ
eurjchem-1976	93	25	site	site	NOUN
eurjchem-1976	93	26	of	of	ADP
eurjchem-1976	93	27	6s6a	6s6a	PRON
eurjchem-1976	93	28	.	.	PUNCT
eurjchem-1976	94	1	compound	compound	NOUN
eurjchem-1976	94	2	s	s	X
eurjchem-1976	94	3	(	(	PUNCT
eurjchem-1976	94	4	kcal	kcal	PROPN
eurjchem-1976	94	5	/	/	SYM
eurjchem-1976	94	6	mol	mol	NOUN
eurjchem-1976	94	7	)	)	PUNCT
eurjchem-1976	94	8	amino	amino	NOUN
eurjchem-1976	94	9	acid	acid	NOUN
eurjchem-1976	94	10	interaction	interaction	NOUN
eurjchem-1976	94	11	type	type	NOUN
eurjchem-1976	94	12	of	of	ADP
eurjchem-1976	94	13	interaction	interaction	NOUN
eurjchem-1976	94	14	length	length	NOUN
eurjchem-1976	94	15	(	(	PUNCT
eurjchem-1976	94	16	å	å	NOUN
eurjchem-1976	94	17	)	)	PUNCT
eurjchem-1976	94	18	1	1	NUM
eurjchem-1976	94	19	-24.8616	-24.8616	SYM
eurjchem-1976	94	20	arga37	arga37	PROPN
eurjchem-1976	94	21	lysa128	lysa128	PROPN
eurjchem-1976	94	22	thra21	thra21	NOUN
eurjchem-1976	94	23	thra42	thra42	NOUN
eurjchem-1976	95	1	π	π	NOUN
eurjchem-1976	95	2	-	-	NOUN
eurjchem-1976	95	3	cation	cation	NOUN
eurjchem-1976	95	4	interaction	interaction	NOUN
eurjchem-1976	95	5	π	π	PROPN
eurjchem-1976	95	6	-	-	PUNCT
eurjchem-1976	95	7	cation	cation	NOUN
eurjchem-1976	95	8	interaction	interaction	NOUN
eurjchem-1976	95	9	metal	metal	NOUN
eurjchem-1976	95	10	complexation	complexation	NOUN
eurjchem-1976	95	11	(	(	PUNCT
eurjchem-1976	95	12	mg	mg	NOUN
eurjchem-1976	95	13	)	)	PUNCT
eurjchem-1976	95	14	metal	metal	NOUN
eurjchem-1976	95	15	complexation	complexation	NOUN
eurjchem-1976	95	16	(	(	PUNCT
eurjchem-1976	95	17	mg	mg	PROPN
eurjchem-1976	95	18	)	)	PUNCT
eurjchem-1976	95	19	2.16	2.16	NUM
eurjchem-1976	95	20	2.22	2.22	NUM
eurjchem-1976	95	21	2	2	NUM
eurjchem-1976	95	22	-22.0658	-22.0658	NOUN
eurjchem-1976	95	23	arga37	arga37	NOUN
eurjchem-1976	95	24	lysa128	lysa128	PROPN
eurjchem-1976	95	25	thra21	thra21	NOUN
eurjchem-1976	95	26	thra42	thra42	NOUN
eurjchem-1976	96	1	π	π	NOUN
eurjchem-1976	96	2	-	-	NOUN
eurjchem-1976	96	3	cation	cation	NOUN
eurjchem-1976	96	4	interaction	interaction	NOUN
eurjchem-1976	96	5	π	π	PROPN
eurjchem-1976	96	6	-	-	PUNCT
eurjchem-1976	96	7	cation	cation	NOUN
eurjchem-1976	96	8	interaction	interaction	NOUN
eurjchem-1976	96	9	metal	metal	NOUN
eurjchem-1976	96	10	complexation	complexation	NOUN
eurjchem-1976	96	11	(	(	PUNCT
eurjchem-1976	96	12	mg	mg	NOUN
eurjchem-1976	96	13	)	)	PUNCT
eurjchem-1976	96	14	metal	metal	NOUN
eurjchem-1976	96	15	complexation	complexation	NOUN
eurjchem-1976	96	16	(	(	PUNCT
eurjchem-1976	96	17	mg	mg	PROPN
eurjchem-1976	96	18	)	)	PUNCT
eurjchem-1976	96	19	2.16	2.16	NUM
eurjchem-1976	96	20	2.22	2.22	NUM
eurjchem-1976	96	21	3	3	NUM
eurjchem-1976	96	22	-20.1774	-20.1774	PUNCT
eurjchem-1976	96	23	arga37	arga37	NOUN
eurjchem-1976	96	24	lysa128	lysa128	PROPN
eurjchem-1976	96	25	π	π	PROPN
eurjchem-1976	96	26	-	-	PUNCT
eurjchem-1976	96	27	cation	cation	NOUN
eurjchem-1976	96	28	interaction	interaction	NOUN
eurjchem-1976	96	29	π	π	PROPN
eurjchem-1976	96	30	-	-	PUNCT
eurjchem-1976	96	31	cation	cation	NOUN
eurjchem-1976	96	32	interaction	interaction	NOUN
eurjchem-1976	96	33	4	4	NUM
eurjchem-1976	96	34	-24.8373	-24.8373	PUNCT
eurjchem-1976	96	35	arga37	arga37	NOUN
eurjchem-1976	96	36	thra21	thra21	PROPN
eurjchem-1976	96	37	thra42	thra42	PROPN
eurjchem-1976	97	1	π	π	ADJ
eurjchem-1976	97	2	-	-	PUNCT
eurjchem-1976	97	3	cation	cation	NOUN
eurjchem-1976	97	4	interaction	interaction	NOUN
eurjchem-1976	97	5	metal	metal	NOUN
eurjchem-1976	97	6	complexation	complexation	NOUN
eurjchem-1976	97	7	(	(	PUNCT
eurjchem-1976	97	8	mg	mg	NOUN
eurjchem-1976	97	9	)	)	PUNCT
eurjchem-1976	97	10	metal	metal	NOUN
eurjchem-1976	97	11	complexation	complexation	NOUN
eurjchem-1976	97	12	(	(	PUNCT
eurjchem-1976	97	13	mg	mg	PROPN
eurjchem-1976	97	14	)	)	PUNCT
eurjchem-1976	97	15	2.16	2.16	NUM
eurjchem-1976	97	16	2.22	2.22	NUM
eurjchem-1976	97	17	5	5	NUM
eurjchem-1976	97	18	-18.9748	-18.9748	SYM
eurjchem-1976	97	19	arga37	arga37	PROPN
eurjchem-1976	97	20	aspa130	aspa130	PROPN
eurjchem-1976	97	21	π	π	PROPN
eurjchem-1976	97	22	-	-	PUNCT
eurjchem-1976	97	23	cation	cation	NOUN
eurjchem-1976	97	24	interaction	interaction	NOUN
eurjchem-1976	97	25	hydrogen	hydrogen	NOUN
eurjchem-1976	97	26	bond	bond	NOUN
eurjchem-1976	97	27	2.03	2.03	NUM
eurjchem-1976	97	28	6	6	NUM
eurjchem-1976	97	29	-22.5543	-22.5543	NOUN
eurjchem-1976	97	30	arga37	arga37	NOUN
eurjchem-1976	97	31	lysa128	lysa128	PROPN
eurjchem-1976	98	1	π	π	PROPN
eurjchem-1976	98	2	-	-	PUNCT
eurjchem-1976	98	3	cation	cation	NOUN
eurjchem-1976	98	4	interaction	interaction	NOUN
eurjchem-1976	98	5	π	π	PROPN
eurjchem-1976	98	6	-	-	PUNCT
eurjchem-1976	98	7	cation	cation	NOUN
eurjchem-1976	98	8	interaction	interaction	NOUN
eurjchem-1976	98	9	7	7	NUM
eurjchem-1976	98	10	-18.0398	-18.0398	PUNCT
eurjchem-1976	98	11	arga37	arga37	PROPN
eurjchem-1976	98	12	arga37	arga37	PROPN
eurjchem-1976	99	1	π	π	PROPN
eurjchem-1976	99	2	-	-	PUNCT
eurjchem-1976	99	3	cation	cation	NOUN
eurjchem-1976	99	4	interaction	interaction	NOUN
eurjchem-1976	99	5	hydrogen	hydrogen	NOUN
eurjchem-1976	99	6	bond	bond	NOUN
eurjchem-1976	99	7	3.04	3.04	NUM
eurjchem-1976	99	8	8	8	NUM
eurjchem-1976	99	9	-19.4697	-19.4697	PUNCT
eurjchem-1976	99	10	arga37	arga37	PROPN
eurjchem-1976	99	11	arga37	arga37	PROPN
eurjchem-1976	99	12	lysa128	lysa128	PROPN
eurjchem-1976	100	1	π	π	PROPN
eurjchem-1976	100	2	-	-	PUNCT
eurjchem-1976	100	3	cation	cation	NOUN
eurjchem-1976	100	4	interaction	interaction	NOUN
eurjchem-1976	100	5	π	π	PROPN
eurjchem-1976	100	6	-cation	-cation	PROPN
eurjchem-1976	100	7	interaction	interaction	NOUN
eurjchem-1976	100	8	π	π	ADJ
eurjchem-1976	100	9	-	-	PUNCT
eurjchem-1976	100	10	cation	cation	NOUN
eurjchem-1976	100	11	interaction	interaction	NOUN
eurjchem-1976	100	12	9	9	NUM
eurjchem-1976	100	13	-20.3244	-20.3244	NUM
eurjchem-1976	100	14	arga37	arga37	PROPN
eurjchem-1976	100	15	π	π	PROPN
eurjchem-1976	100	16	-	-	PUNCT
eurjchem-1976	100	17	cation	cation	NOUN
eurjchem-1976	100	18	interaction	interaction	NOUN
eurjchem-1976	100	19	10	10	NUM
eurjchem-1976	100	20	-22.4642	-22.4642	SYM
eurjchem-1976	100	21	lysc179	lysc179	PROPN
eurjchem-1976	100	22	serc76	serc76	NOUN
eurjchem-1976	100	23	π	π	PROPN
eurjchem-1976	100	24	-	-	PUNCT
eurjchem-1976	100	25	cation	cation	NOUN
eurjchem-1976	100	26	interaction	interaction	NOUN
eurjchem-1976	100	27	hydrogen	hydrogen	NOUN
eurjchem-1976	100	28	bond	bond	NOUN
eurjchem-1976	100	29	3.04	3.04	NUM
eurjchem-1976	100	30	11	11	NUM
eurjchem-1976	100	31	-21.7914	-21.7914	SYM
eurjchem-1976	100	32	arga37	arga37	PROPN
eurjchem-1976	100	33	arga37	arga37	PROPN
eurjchem-1976	101	1	lysa128	lysa128	PROPN
eurjchem-1976	101	2	π	π	PROPN
eurjchem-1976	101	3	-	-	PUNCT
eurjchem-1976	101	4	cation	cation	NOUN
eurjchem-1976	101	5	interaction	interaction	NOUN
eurjchem-1976	101	6	hydrogen	hydrogen	NOUN
eurjchem-1976	101	7	bond	bond	NOUN
eurjchem-1976	101	8	π	π	PROPN
eurjchem-1976	101	9	-	-	NOUN
eurjchem-1976	101	10	cation	cation	NOUN
eurjchem-1976	101	11	interaction	interaction	NOUN
eurjchem-1976	101	12	2.97	2.97	NUM
eurjchem-1976	101	13	12	12	NUM
eurjchem-1976	101	14	-21.0138	-21.0138	NUM
eurjchem-1976	101	15	arga37	arga37	NOUN
eurjchem-1976	101	16	lysa128	lysa128	PROPN
eurjchem-1976	102	1	π	π	PROPN
eurjchem-1976	102	2	-	-	PUNCT
eurjchem-1976	102	3	cation	cation	NOUN
eurjchem-1976	102	4	interaction	interaction	NOUN
eurjchem-1976	102	5	π	π	PROPN
eurjchem-1976	102	6	-	-	PUNCT
eurjchem-1976	102	7	cation	cation	NOUN
eurjchem-1976	102	8	interaction	interaction	NOUN
eurjchem-1976	102	9	13	13	NUM
eurjchem-1976	102	10	-24.0026	-24.0026	PUNCT
eurjchem-1976	102	11	arga37	arga37	NOUN
eurjchem-1976	102	12	lysa128	lysa128	PROPN
eurjchem-1976	103	1	π	π	PROPN
eurjchem-1976	103	2	-	-	PUNCT
eurjchem-1976	103	3	cation	cation	NOUN
eurjchem-1976	103	4	interaction	interaction	NOUN
eurjchem-1976	103	5	π	π	PROPN
eurjchem-1976	103	6	-	-	PUNCT
eurjchem-1976	103	7	cation	cation	NOUN
eurjchem-1976	103	8	interaction	interaction	NOUN
eurjchem-1976	103	9	14	14	NUM
eurjchem-1976	103	10	-22.5484	-22.5484	SYM
eurjchem-1976	103	11	arga37	arga37	NOUN
eurjchem-1976	103	12	lysa128	lysa128	PROPN
eurjchem-1976	103	13	π	π	PROPN
eurjchem-1976	103	14	-	-	PUNCT
eurjchem-1976	103	15	cation	cation	NOUN
eurjchem-1976	103	16	interaction	interaction	NOUN
eurjchem-1976	103	17	π	π	PROPN
eurjchem-1976	103	18	-	-	PUNCT
eurjchem-1976	103	19	cation	cation	NOUN
eurjchem-1976	103	20	interaction	interaction	NOUN
eurjchem-1976	103	21	15	15	NUM
eurjchem-1976	103	22	-18.7338	-18.7338	PUNCT
eurjchem-1976	103	23	arga37	arga37	NOUN
eurjchem-1976	103	24	lysa128	lysa128	PROPN
eurjchem-1976	103	25	π	π	PROPN
eurjchem-1976	103	26	-	-	PUNCT
eurjchem-1976	103	27	cation	cation	NOUN
eurjchem-1976	103	28	interaction	interaction	NOUN
eurjchem-1976	103	29	π	π	PROPN
eurjchem-1976	103	30	-	-	PUNCT
eurjchem-1976	103	31	cation	cation	NOUN
eurjchem-1976	103	32	interaction	interaction	NOUN
eurjchem-1976	103	33	2.1.5	2.1.5	NUM
eurjchem-1976	103	34	.	.	PUNCT
eurjchem-1976	103	35	predict	predict	VERB
eurjchem-1976	103	36	the	the	DET
eurjchem-1976	103	37	activity	activity	NOUN
eurjchem-1976	103	38	of	of	ADP
eurjchem-1976	103	39	designed	design	VERB
eurjchem-1976	103	40	3,5	3,5	NUM
eurjchem-1976	103	41	-	-	PUNCT
eurjchem-1976	103	42	dimethyl-4substituted	dimethyl-4substitute	VERB
eurjchem-1976	103	43	-	-	PUNCT
eurjchem-1976	103	44	pyrazole	pyrazole	NOUN
eurjchem-1976	103	45	derivatives	derivative	NOUN
eurjchem-1976	103	46	chemical	chemical	NOUN
eurjchem-1976	103	47	structures	structure	NOUN
eurjchem-1976	103	48	of	of	ADP
eurjchem-1976	103	49	the	the	DET
eurjchem-1976	103	50	designed	design	VERB
eurjchem-1976	103	51	3,5	3,5	NUM
eurjchem-1976	103	52	-	-	PUNCT
eurjchem-1976	103	53	dimethyl-4substituted	dimethyl-4substitute	VERB
eurjchem-1976	103	54	-	-	PUNCT
eurjchem-1976	103	55	pyrazole	pyrazole	NOUN
eurjchem-1976	103	56	derivatives	derivative	NOUN
eurjchem-1976	103	57	(	(	PUNCT
eurjchem-1976	103	58	1	1	NUM
eurjchem-1976	103	59	-	-	SYM
eurjchem-1976	103	60	15	15	NUM
eurjchem-1976	103	61	)	)	PUNCT
eurjchem-1976	103	62	were	be	AUX
eurjchem-1976	103	63	done	do	VERB
eurjchem-1976	103	64	using	use	VERB
eurjchem-1976	103	65	the	the	DET
eurjchem-1976	103	66	acd	acd	NOUN
eurjchem-1976	103	67	/	/	SYM
eurjchem-1976	103	68	chemsketch	chemsketch	NOUN
eurjchem-1976	103	69	,	,	PUNCT
eurjchem-1976	103	70	the	the	DET
eurjchem-1976	103	71	developed	develop	VERB
eurjchem-1976	103	72	qsar	qsar	NOUN
eurjchem-1976	103	73	model	model	NOUN
eurjchem-1976	103	74	(	(	PUNCT
eurjchem-1976	103	75	equation	equation	NOUN
eurjchem-1976	103	76	(	(	PUNCT
eurjchem-1976	103	77	3	3	NUM
eurjchem-1976	103	78	)	)	PUNCT
eurjchem-1976	103	79	)	)	PUNCT
eurjchem-1976	103	80	was	be	AUX
eurjchem-1976	103	81	used	use	VERB
eurjchem-1976	103	82	to	to	PART
eurjchem-1976	103	83	predict	predict	VERB
eurjchem-1976	103	84	their	their	PRON
eurjchem-1976	103	85	activity	activity	NOUN
eurjchem-1976	103	86	against	against	ADP
eurjchem-1976	103	87	human	human	ADJ
eurjchem-1976	103	88	pancreatic	pancreatic	ADJ
eurjchem-1976	103	89	ductal	ductal	ADJ
eurjchem-1976	103	90	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-1976	103	91	cell	cell	NOUN
eurjchem-1976	103	92	line	line	NOUN
eurjchem-1976	103	93	mia	mia	PROPN
eurjchem-1976	103	94	paca-2	paca-2	PROPN
eurjchem-1976	103	95	.	.	PUNCT
eurjchem-1976	104	1	the	the	DET
eurjchem-1976	104	2	predicted	predict	VERB
eurjchem-1976	104	3	activity	activity	NOUN
eurjchem-1976	104	4	expressed	express	VERB
eurjchem-1976	104	5	as	as	ADP
eurjchem-1976	104	6	pec50	pec50	PROPN
eurjchem-1976	104	7	along	along	ADP
eurjchem-1976	104	8	with	with	ADP
eurjchem-1976	104	9	the	the	DET
eurjchem-1976	104	10	structures	structure	NOUN
eurjchem-1976	104	11	reported	report	VERB
eurjchem-1976	104	12	in	in	ADP
eurjchem-1976	104	13	table	table	NOUN
eurjchem-1976	104	14	7	7	NUM
eurjchem-1976	104	15	.	.	X
eurjchem-1976	104	16	2.2	2.2	NUM
eurjchem-1976	104	17	.	.	PUNCT
eurjchem-1976	105	1	molecular	molecular	ADJ
eurjchem-1976	105	2	docking	docking	NOUN
eurjchem-1976	105	3	docking	docking	NOUN
eurjchem-1976	105	4	is	be	AUX
eurjchem-1976	105	5	a	a	DET
eurjchem-1976	105	6	molecular	molecular	ADJ
eurjchem-1976	105	7	modelling	modelling	NOUN
eurjchem-1976	105	8	technique	technique	NOUN
eurjchem-1976	105	9	that	that	PRON
eurjchem-1976	105	10	is	be	AUX
eurjchem-1976	105	11	used	use	VERB
eurjchem-1976	105	12	to	to	PART
eurjchem-1976	105	13	predict	predict	VERB
eurjchem-1976	105	14	how	how	SCONJ
eurjchem-1976	105	15	a	a	DET
eurjchem-1976	105	16	protein	protein	NOUN
eurjchem-1976	105	17	interacts	interact	VERB
eurjchem-1976	105	18	with	with	ADP
eurjchem-1976	105	19	small	small	ADJ
eurjchem-1976	105	20	molecules	molecule	NOUN
eurjchem-1976	105	21	(	(	PUNCT
eurjchem-1976	105	22	ligands	ligand	NOUN
eurjchem-1976	105	23	)	)	PUNCT
eurjchem-1976	105	24	by	by	ADP
eurjchem-1976	105	25	predicting	predict	VERB
eurjchem-1976	105	26	of	of	ADP
eurjchem-1976	105	27	the	the	DET
eurjchem-1976	105	28	most	most	ADV
eurjchem-1976	105	29	possible	possible	ADJ
eurjchem-1976	105	30	type	type	NOUN
eurjchem-1976	105	31	of	of	ADP
eurjchem-1976	105	32	interaction	interaction	NOUN
eurjchem-1976	105	33	,	,	PUNCT
eurjchem-1976	105	34	the	the	DET
eurjchem-1976	105	35	binding	bind	VERB
eurjchem-1976	105	36	affinities	affinity	NOUN
eurjchem-1976	105	37	,	,	PUNCT
eurjchem-1976	105	38	and	and	CCONJ
eurjchem-1976	105	39	the	the	DET
eurjchem-1976	105	40	orientations	orientation	NOUN
eurjchem-1976	105	41	of	of	ADP
eurjchem-1976	105	42	the	the	DET
eurjchem-1976	105	43	docked	dock	VERB
eurjchem-1976	105	44	ligands	ligand	NOUN
eurjchem-1976	105	45	at	at	ADP
eurjchem-1976	105	46	the	the	DET
eurjchem-1976	105	47	active	active	ADJ
eurjchem-1976	105	48	site	site	NOUN
eurjchem-1976	105	49	of	of	ADP
eurjchem-1976	105	50	the	the	DET
eurjchem-1976	105	51	target	target	NOUN
eurjchem-1976	105	52	protein	protein	NOUN
eurjchem-1976	105	53	.	.	PUNCT
eurjchem-1976	106	1	molecular	molecular	ADJ
eurjchem-1976	106	2	docking	docking	NOUN
eurjchem-1976	106	3	study	study	NOUN
eurjchem-1976	106	4	was	be	AUX
eurjchem-1976	106	5	carried	carry	VERB
eurjchem-1976	106	6	out	out	ADP
eurjchem-1976	106	7	in	in	ADP
eurjchem-1976	106	8	order	order	NOUN
eurjchem-1976	106	9	to	to	PART
eurjchem-1976	106	10	elucidate	elucidate	VERB
eurjchem-1976	106	11	which	which	PRON
eurjchem-1976	106	12	of	of	ADP
eurjchem-1976	106	13	the	the	DET
eurjchem-1976	106	14	designed	design	VERB
eurjchem-1976	106	15	3,5dimethyl-4	3,5dimethyl-4	NUM
eurjchem-1976	106	16	-	-	PUNCT
eurjchem-1976	106	17	substituted	substitute	VERB
eurjchem-1976	106	18	-	-	PUNCT
eurjchem-1976	106	19	pyrazole	pyrazole	NOUN
eurjchem-1976	106	20	derivatives	derivative	NOUN
eurjchem-1976	106	21	(	(	PUNCT
eurjchem-1976	106	22	1	1	NUM
eurjchem-1976	106	23	-	-	SYM
eurjchem-1976	106	24	15	15	NUM
eurjchem-1976	106	25	)	)	PUNCT
eurjchem-1976	106	26	has	have	VERB
eurjchem-1976	106	27	the	the	DET
eurjchem-1976	106	28	best	good	ADJ
eurjchem-1976	106	29	binding	bind	VERB
eurjchem-1976	106	30	affinity	affinity	NOUN
eurjchem-1976	106	31	against	against	ADP
eurjchem-1976	106	32	the	the	DET
eurjchem-1976	106	33	mechanistic	mechanistic	ADJ
eurjchem-1976	106	34	(	(	PUNCT
eurjchem-1976	106	35	or	or	CCONJ
eurjchem-1976	106	36	mammalian	mammalian	ADJ
eurjchem-1976	106	37	)	)	PUNCT
eurjchem-1976	106	38	target	target	NOUN
eurjchem-1976	106	39	of	of	ADP
eurjchem-1976	106	40	rapamycin	rapamycin	NOUN
eurjchem-1976	106	41	complex	complex	ADJ
eurjchem-1976	106	42	1	1	NUM
eurjchem-1976	106	43	(	(	PUNCT
eurjchem-1976	106	44	mtorc1	mtorc1	NOUN
eurjchem-1976	106	45	)	)	PUNCT
eurjchem-1976	106	46	.	.	PUNCT
eurjchem-1976	107	1	the	the	DET
eurjchem-1976	107	2	structure	structure	NOUN
eurjchem-1976	107	3	of	of	ADP
eurjchem-1976	107	4	mtorc1	mtorc1	NOUN
eurjchem-1976	107	5	used	use	VERB
eurjchem-1976	107	6	in	in	ADP
eurjchem-1976	107	7	the	the	DET
eurjchem-1976	107	8	study	study	NOUN
eurjchem-1976	107	9	was	be	AUX
eurjchem-1976	107	10	obtained	obtain	VERB
eurjchem-1976	107	11	from	from	ADP
eurjchem-1976	107	12	protein	protein	NOUN
eurjchem-1976	107	13	data	datum	NOUN
eurjchem-1976	107	14	bank	bank	PROPN
eurjchem-1976	107	15	with	with	ADP
eurjchem-1976	107	16	pdb	pdb	PROPN
eurjchem-1976	107	17	code	code	PROPN
eurjchem-1976	107	18	6s6a	6s6a	NOUN
eurjchem-1976	107	19	,	,	PUNCT
eurjchem-1976	107	20	structures	structure	NOUN
eurjchem-1976	107	21	of	of	ADP
eurjchem-1976	107	22	the	the	DET
eurjchem-1976	107	23	designed	design	VERB
eurjchem-1976	107	24	3,5dimethyl-4	3,5dimethyl-4	NUM
eurjchem-1976	107	25	-	-	PUNCT
eurjchem-1976	107	26	substituted	substitute	VERB
eurjchem-1976	107	27	-	-	PUNCT
eurjchem-1976	107	28	pyrazole	pyrazole	NOUN
eurjchem-1976	107	29	derivatives	derivative	NOUN
eurjchem-1976	107	30	(	(	PUNCT
eurjchem-1976	107	31	1	1	NUM
eurjchem-1976	107	32	-	-	SYM
eurjchem-1976	107	33	15	15	NUM
eurjchem-1976	107	34	)	)	PUNCT
eurjchem-1976	107	35	were	be	AUX
eurjchem-1976	107	36	prepared	prepare	VERB
eurjchem-1976	107	37	and	and	CCONJ
eurjchem-1976	107	38	saved	save	VERB
eurjchem-1976	107	39	as	as	ADP
eurjchem-1976	107	40	mol	mol	ADP
eurjchem-1976	107	41	files	file	NOUN
eurjchem-1976	107	42	,	,	PUNCT
eurjchem-1976	107	43	the	the	DET
eurjchem-1976	107	44	prepared	prepare	VERB
eurjchem-1976	107	45	compounds	compound	NOUN
eurjchem-1976	107	46	were	be	AUX
eurjchem-1976	107	47	docked	dock	VERB
eurjchem-1976	107	48	with	with	ADP
eurjchem-1976	107	49	prepared	prepared	ADJ
eurjchem-1976	107	50	structure	structure	NOUN
eurjchem-1976	107	51	of	of	ADP
eurjchem-1976	107	52	6s6a	6s6a	NOUN
eurjchem-1976	107	53	protein	protein	NOUN
eurjchem-1976	107	54	using	use	VERB
eurjchem-1976	107	55	moe	moe	NOUN
eurjchem-1976	107	56	program	program	NOUN
eurjchem-1976	107	57	.	.	PUNCT
eurjchem-1976	108	1	the	the	DET
eurjchem-1976	108	2	binding	bind	VERB
eurjchem-1976	108	3	score	score	NOUN
eurjchem-1976	108	4	(	(	PUNCT
eurjchem-1976	108	5	s	s	NOUN
eurjchem-1976	108	6	)	)	PUNCT
eurjchem-1976	108	7	of	of	ADP
eurjchem-1976	108	8	the	the	DET
eurjchem-1976	108	9	complexes	complex	NOUN
eurjchem-1976	108	10	and	and	CCONJ
eurjchem-1976	108	11	amino	amino	NOUN
eurjchem-1976	108	12	acid	acid	NOUN
eurjchem-1976	108	13	interactions	interaction	NOUN
eurjchem-1976	108	14	are	be	AUX
eurjchem-1976	108	15	reported	report	VERB
eurjchem-1976	108	16	in	in	ADP
eurjchem-1976	108	17	table	table	NOUN
eurjchem-1976	108	18	8	8	NUM
eurjchem-1976	108	19	.	.	NOUN
eurjchem-1976	108	20	3	3	X
eurjchem-1976	108	21	.	.	NOUN
eurjchem-1976	108	22	results	result	NOUN
eurjchem-1976	108	23	and	and	CCONJ
eurjchem-1976	108	24	discussion	discussion	NOUN
eurjchem-1976	108	25	3.1	3.1	NUM
eurjchem-1976	108	26	.	.	PUNCT
eurjchem-1976	108	27	qsar	qsar	PROPN
eurjchem-1976	108	28	studies	study	NOUN
eurjchem-1976	108	29	the	the	DET
eurjchem-1976	108	30	studied	study	VERB
eurjchem-1976	108	31	compounds	compound	NOUN
eurjchem-1976	108	32	which	which	PRON
eurjchem-1976	108	33	were	be	AUX
eurjchem-1976	108	34	an	an	DET
eurjchem-1976	108	35	autophagy	autophagy	ADJ
eurjchem-1976	108	36	modulator	modulator	NOUN
eurjchem-1976	108	37	showed	show	VERB
eurjchem-1976	108	38	a	a	DET
eurjchem-1976	108	39	promising	promising	ADJ
eurjchem-1976	108	40	role	role	NOUN
eurjchem-1976	108	41	as	as	ADP
eurjchem-1976	108	42	anticancer	anticancer	NOUN
eurjchem-1976	108	43	agents	agent	NOUN
eurjchem-1976	108	44	.	.	PUNCT
eurjchem-1976	109	1	in	in	ADP
eurjchem-1976	109	2	the	the	DET
eurjchem-1976	109	3	present	present	ADJ
eurjchem-1976	109	4	work	work	NOUN
eurjchem-1976	109	5	,	,	PUNCT
eurjchem-1976	109	6	structure	structure	NOUN
eurjchem-1976	109	7	activity	activity	NOUN
eurjchem-1976	109	8	relationship	relationship	NOUN
eurjchem-1976	109	9	model	model	NOUN
eurjchem-1976	109	10	was	be	AUX
eurjchem-1976	109	11	developed	develop	VERB
eurjchem-1976	109	12	that	that	PRON
eurjchem-1976	109	13	could	could	AUX
eurjchem-1976	109	14	correlate	correlate	VERB
eurjchem-1976	109	15	the	the	DET
eurjchem-1976	109	16	structural	structural	ADJ
eurjchem-1976	109	17	features	feature	NOUN
eurjchem-1976	109	18	with	with	ADP
eurjchem-1976	109	19	biological	biological	ADJ
eurjchem-1976	109	20	activity	activity	NOUN
eurjchem-1976	109	21	.	.	PUNCT
eurjchem-1976	110	1	the	the	DET
eurjchem-1976	110	2	developed	develop	VERB
eurjchem-1976	110	3	model	model	NOUN
eurjchem-1976	110	4	showed	show	VERB
eurjchem-1976	110	5	squared	square	VERB
eurjchem-1976	110	6	correlation	correlation	NOUN
eurjchem-1976	110	7	coefficient	coefficient	NOUN
eurjchem-1976	110	8	(	(	PUNCT
eurjchem-1976	110	9	r2	r2	PROPN
eurjchem-1976	110	10	=	=	PUNCT
eurjchem-1976	110	11	0.937	0.937	NUM
eurjchem-1976	110	12	)	)	PUNCT
eurjchem-1976	110	13	which	which	PRON
eurjchem-1976	110	14	indicates	indicate	VERB
eurjchem-1976	110	15	the	the	DET
eurjchem-1976	110	16	correlation	correlation	NOUN
eurjchem-1976	110	17	between	between	ADP
eurjchem-1976	110	18	the	the	DET
eurjchem-1976	110	19	activity	activity	NOUN
eurjchem-1976	110	20	(	(	PUNCT
eurjchem-1976	110	21	dependent	dependent	ADJ
eurjchem-1976	110	22	variable	variable	NOUN
eurjchem-1976	110	23	)	)	PUNCT
eurjchem-1976	110	24	the	the	DET
eurjchem-1976	110	25	molecular	molecular	ADJ
eurjchem-1976	110	26	descriptors	descriptor	NOUN
eurjchem-1976	110	27	(	(	PUNCT
eurjchem-1976	110	28	independent	independent	ADJ
eurjchem-1976	110	29	variable	variable	NOUN
eurjchem-1976	110	30	)	)	PUNCT
eurjchem-1976	110	31	for	for	ADP
eurjchem-1976	110	32	the	the	DET
eurjchem-1976	110	33	training	training	NOUN
eurjchem-1976	110	34	set	set	VERB
eurjchem-1976	110	35	data	datum	NOUN
eurjchem-1976	110	36	,	,	PUNCT
eurjchem-1976	110	37	and	and	CCONJ
eurjchem-1976	110	38	squared	square	VERB
eurjchem-1976	110	39	cross	cross	NOUN
eurjchem-1976	110	40	-	-	ADJ
eurjchem-1976	110	41	validation	validation	ADJ
eurjchem-1976	110	42	(	(	PUNCT
eurjchem-1976	110	43	q2	q2	NOUN
eurjchem-1976	110	44	=	=	NOUN
eurjchem-1976	110	45	0.880	0.880	NUM
eurjchem-1976	110	46	)	)	PUNCT
eurjchem-1976	110	47	which	which	PRON
eurjchem-1976	110	48	indicates	indicate	VERB
eurjchem-1976	110	49	that	that	SCONJ
eurjchem-1976	110	50	the	the	DET
eurjchem-1976	110	51	newly	newly	ADV
eurjchem-1976	110	52	developed	develop	VERB
eurjchem-1976	110	53	qsar	qsar	NOUN
eurjchem-1976	110	54	model	model	NOUN
eurjchem-1976	110	55	has	have	VERB
eurjchem-1976	110	56	a	a	DET
eurjchem-1976	110	57	good	good	ADJ
eurjchem-1976	110	58	prediction	prediction	NOUN
eurjchem-1976	110	59	.	.	PUNCT
eurjchem-1976	111	1	three	three	NUM
eurjchem-1976	111	2	molecular	molecular	ADJ
eurjchem-1976	111	3	descriptors	descriptor	NOUN
eurjchem-1976	111	4	denoted	denote	VERB
eurjchem-1976	111	5	as	as	ADP
eurjchem-1976	111	6	log	log	NOUN
eurjchem-1976	111	7	octanol	octanol	NOUN
eurjchem-1976	111	8	/	/	SYM
eurjchem-1976	111	9	water	water	NOUN
eurjchem-1976	111	10	partition	partition	NOUN
eurjchem-1976	111	11	coefficient	coefficient	NOUN
eurjchem-1976	111	12	(	(	PUNCT
eurjchem-1976	111	13	log	log	VERB
eurjchem-1976	111	14	p(o	p(o	NOUN
eurjchem-1976	111	15	/	/	SYM
eurjchem-1976	111	16	w	w	NOUN
eurjchem-1976	111	17	)	)	PUNCT
eurjchem-1976	111	18	)	)	PUNCT
eurjchem-1976	111	19	,	,	PUNCT
eurjchem-1976	111	20	density	density	NOUN
eurjchem-1976	111	21	(	(	PUNCT
eurjchem-1976	111	22	d	d	NOUN
eurjchem-1976	111	23	)	)	PUNCT
eurjchem-1976	111	24	,	,	PUNCT
eurjchem-1976	111	25	and	and	CCONJ
eurjchem-1976	111	26	surface	surface	NOUN
eurjchem-1976	111	27	tension	tension	NOUN
eurjchem-1976	111	28	(	(	PUNCT
eurjchem-1976	111	29	st	st	NOUN
eurjchem-1976	111	30	)	)	PUNCT
eurjchem-1976	111	31	were	be	AUX
eurjchem-1976	111	32	significantly	significantly	ADV
eurjchem-1976	111	33	correlated	correlate	VERB
eurjchem-1976	111	34	with	with	ADP
eurjchem-1976	111	35	anticancer	anticancer	NOUN
eurjchem-1976	111	36	activity	activity	NOUN
eurjchem-1976	111	37	.	.	PUNCT
eurjchem-1976	112	1	it	it	PRON
eurjchem-1976	112	2	is	be	AUX
eurjchem-1976	112	3	evident	evident	ADJ
eurjchem-1976	112	4	from	from	ADP
eurjchem-1976	112	5	the	the	DET
eurjchem-1976	112	6	equation	equation	NOUN
eurjchem-1976	112	7	(	(	PUNCT
eurjchem-1976	112	8	3	3	NUM
eurjchem-1976	112	9	)	)	PUNCT
eurjchem-1976	112	10	that	that	SCONJ
eurjchem-1976	112	11	among	among	ADP
eurjchem-1976	112	12	the	the	DET
eurjchem-1976	112	13	molecular	molecular	ADJ
eurjchem-1976	112	14	descriptors	descriptor	NOUN
eurjchem-1976	112	15	,	,	PUNCT
eurjchem-1976	112	16	log	log	VERB
eurjchem-1976	112	17	p(o	p(o	NOUN
eurjchem-1976	112	18	/	/	SYM
eurjchem-1976	112	19	w	w	NOUN
eurjchem-1976	112	20	)	)	PUNCT
eurjchem-1976	112	21	and	and	CCONJ
eurjchem-1976	112	22	d	d	NOUN
eurjchem-1976	112	23	are	be	AUX
eurjchem-1976	112	24	positively	positively	ADV
eurjchem-1976	112	25	correlated	correlate	VERB
eurjchem-1976	112	26	,	,	PUNCT
eurjchem-1976	112	27	that	that	PRON
eurjchem-1976	112	28	mean	mean	VERB
eurjchem-1976	112	29	the	the	DET
eurjchem-1976	112	30	biological	biological	ADJ
eurjchem-1976	112	31	activity	activity	NOUN
eurjchem-1976	112	32	increases	increase	NOUN
eurjchem-1976	112	33	when	when	SCONJ
eurjchem-1976	112	34	the	the	DET
eurjchem-1976	112	35	values	value	NOUN
eurjchem-1976	112	36	of	of	ADP
eurjchem-1976	112	37	these	these	DET
eurjchem-1976	112	38	descriptors	descriptor	NOUN
eurjchem-1976	112	39	are	be	AUX
eurjchem-1976	112	40	positively	positively	ADV
eurjchem-1976	112	41	increased	increase	VERB
eurjchem-1976	112	42	.	.	PUNCT
eurjchem-1976	113	1	on	on	ADP
eurjchem-1976	113	2	the	the	DET
eurjchem-1976	113	3	other	other	ADJ
eurjchem-1976	113	4	hand	hand	NOUN
eurjchem-1976	113	5	,	,	PUNCT
eurjchem-1976	113	6	the	the	DET
eurjchem-1976	113	7	descriptor	descriptor	NOUN
eurjchem-1976	113	8	st	st	PROPN
eurjchem-1976	113	9	negatively	negatively	ADV
eurjchem-1976	113	10	correlated	correlate	VERB
eurjchem-1976	113	11	with	with	ADP
eurjchem-1976	113	12	anticancer	anticancer	NOUN
eurjchem-1976	113	13	activity	activity	NOUN
eurjchem-1976	113	14	,	,	PUNCT
eurjchem-1976	113	15	that	that	PRON
eurjchem-1976	113	16	mean	mean	VERB
eurjchem-1976	113	17	the	the	DET
eurjchem-1976	113	18	biological	biological	ADJ
eurjchem-1976	113	19	activity	activity	NOUN
eurjchem-1976	113	20	decreases	decrease	VERB
eurjchem-1976	113	21	when	when	SCONJ
eurjchem-1976	113	22	the	the	DET
eurjchem-1976	113	23	value	value	NOUN
eurjchem-1976	113	24	of	of	ADP
eurjchem-1976	113	25	this	this	DET
eurjchem-1976	113	26	descriptor	descriptor	NOUN
eurjchem-1976	113	27	is	be	AUX
eurjchem-1976	113	28	increase	increase	NOUN
eurjchem-1976	113	29	.	.	PUNCT
eurjchem-1976	114	1	four	four	NUM
eurjchem-1976	114	2	compounds	compound	NOUN
eurjchem-1976	114	3	denoted	denote	VERB
eurjchem-1976	114	4	by	by	ADP
eurjchem-1976	114	5	(	(	PUNCT
eurjchem-1976	114	6	test	test	NOUN
eurjchem-1976	114	7	set	set	NOUN
eurjchem-1976	114	8	)	)	PUNCT
eurjchem-1976	114	9	were	be	AUX
eurjchem-1976	114	10	used	use	VERB
eurjchem-1976	114	11	as	as	ADP
eurjchem-1976	114	12	external	external	ADJ
eurjchem-1976	114	13	validation	validation	NOUN
eurjchem-1976	114	14	for	for	ADP
eurjchem-1976	114	15	developed	develop	VERB
eurjchem-1976	114	16	qsar	qsar	NOUN
eurjchem-1976	114	17	model	model	NOUN
eurjchem-1976	114	18	,	,	PUNCT
eurjchem-1976	114	19	and	and	CCONJ
eurjchem-1976	114	20	it	it	PRON
eurjchem-1976	114	21	was	be	AUX
eurjchem-1976	114	22	found	find	VERB
eurjchem-1976	114	23	that	that	SCONJ
eurjchem-1976	114	24	the	the	DET
eurjchem-1976	114	25	predicted	predict	VERB
eurjchem-1976	114	26	values	value	NOUN
eurjchem-1976	114	27	through	through	ADP
eurjchem-1976	114	28	the	the	DET
eurjchem-1976	114	29	qsar	qsar	PROPN
eurjchem-1976	114	30	model	model	NOUN
eurjchem-1976	114	31	show	show	NOUN
eurjchem-1976	114	32	compliance	compliance	NOUN
eurjchem-1976	114	33	with	with	ADP
eurjchem-1976	114	34	their	their	PRON
eurjchem-1976	114	35	experimental	experimental	ADJ
eurjchem-1976	114	36	values	value	NOUN
eurjchem-1976	114	37	and	and	CCONJ
eurjchem-1976	114	38	r2	r2	NOUN
eurjchem-1976	114	39	=	=	NOUN
eurjchem-1976	114	40	0.990	0.990	NUM
eurjchem-1976	114	41	,	,	PUNCT
eurjchem-1976	114	42	all	all	DET
eurjchem-1976	114	43	statistical	statistical	ADJ
eurjchem-1976	114	44	parameters	parameter	NOUN
eurjchem-1976	114	45	calculated	calculate	VERB
eurjchem-1976	114	46	to	to	PART
eurjchem-1976	114	47	evaluate	evaluate	VERB
eurjchem-1976	114	48	the	the	DET
eurjchem-1976	114	49	quality	quality	NOUN
eurjchem-1976	114	50	of	of	ADP
eurjchem-1976	114	51	the	the	DET
eurjchem-1976	114	52	qsar	qsar	NOUN
eurjchem-1976	114	53	model	model	NOUN
eurjchem-1976	114	54	were	be	AUX
eurjchem-1976	114	55	in	in	ADP
eurjchem-1976	114	56	suitable	suitable	ADJ
eurjchem-1976	114	57	range	range	NOUN
eurjchem-1976	114	58	.	.	PUNCT
eurjchem-1976	115	1	figure	figure	NOUN
eurjchem-1976	115	2	1	1	NUM
eurjchem-1976	115	3	shows	show	VERB
eurjchem-1976	115	4	the	the	DET
eurjchem-1976	115	5	correlation	correlation	NOUN
eurjchem-1976	115	6	plots	plot	NOUN
eurjchem-1976	115	7	of	of	ADP
eurjchem-1976	115	8	the	the	DET
eurjchem-1976	115	9	experimental	experimental	ADJ
eurjchem-1976	115	10	versus	versus	SCONJ
eurjchem-1976	115	11	predicted	predict	VERB
eurjchem-1976	115	12	pec50	pec50	PROPN
eurjchem-1976	115	13	values	value	NOUN
eurjchem-1976	115	14	for	for	ADP
eurjchem-1976	115	15	training	training	NOUN
eurjchem-1976	115	16	set	set	NOUN
eurjchem-1976	115	17	,	,	PUNCT
eurjchem-1976	115	18	cross	cross	NOUN
eurjchem-1976	115	19	-	-	ADJ
eurjchem-1976	115	20	validation	validation	ADJ
eurjchem-1976	115	21	and	and	CCONJ
eurjchem-1976	115	22	test	test	NOUN
eurjchem-1976	115	23	set	set	VERB
eurjchem-1976	115	24	compounds	compound	NOUN
eurjchem-1976	115	25	against	against	ADP
eurjchem-1976	115	26	pancreatic	pancreatic	ADJ
eurjchem-1976	115	27	cancer	cancer	NOUN
eurjchem-1976	115	28	cell	cell	NOUN
eurjchem-1976	115	29	line	line	NOUN
eurjchem-1976	115	30	.	.	PUNCT
eurjchem-1976	116	1	3.2	3.2	NUM
eurjchem-1976	116	2	.	.	PUNCT
eurjchem-1976	117	1	docking	dock	VERB
eurjchem-1976	117	2	study	study	NOUN
eurjchem-1976	117	3	molecular	molecular	ADJ
eurjchem-1976	117	4	docking	docking	NOUN
eurjchem-1976	117	5	study	study	NOUN
eurjchem-1976	117	6	was	be	AUX
eurjchem-1976	117	7	carried	carry	VERB
eurjchem-1976	117	8	out	out	ADP
eurjchem-1976	117	9	between	between	ADP
eurjchem-1976	117	10	the	the	DET
eurjchem-1976	117	11	target	target	NOUN
eurjchem-1976	117	12	(	(	PUNCT
eurjchem-1976	117	13	mtorc1	mtorc1	NOUN
eurjchem-1976	117	14	)	)	PUNCT
eurjchem-1976	117	15	and	and	CCONJ
eurjchem-1976	117	16	designed	design	VERB
eurjchem-1976	117	17	3,5	3,5	NUM
eurjchem-1976	117	18	-	-	PUNCT
eurjchem-1976	117	19	dimethyl-4	dimethyl-4	ADV
eurjchem-1976	117	20	-	-	PUNCT
eurjchem-1976	117	21	substituted	substitute	VERB
eurjchem-1976	117	22	-	-	PUNCT
eurjchem-1976	117	23	pyrazole	pyrazole	NOUN
eurjchem-1976	117	24	derivatives	derivative	NOUN
eurjchem-1976	117	25	(	(	PUNCT
eurjchem-1976	117	26	1	1	NUM
eurjchem-1976	117	27	-	-	SYM
eurjchem-1976	117	28	15	15	NUM
eurjchem-1976	117	29	)	)	PUNCT
eurjchem-1976	117	30	.	.	PUNCT
eurjchem-1976	118	1	all	all	DET
eurjchem-1976	118	2	compounds	compound	NOUN
eurjchem-1976	118	3	were	be	AUX
eurjchem-1976	118	4	found	find	VERB
eurjchem-1976	118	5	to	to	PART
eurjchem-1976	118	6	inhibit	inhibit	VERB
eurjchem-1976	118	7	the	the	DET
eurjchem-1976	118	8	receptor	receptor	NOUN
eurjchem-1976	118	9	by	by	ADP
eurjchem-1976	118	10	occupying	occupy	VERB
eurjchem-1976	118	11	the	the	DET
eurjchem-1976	118	12	active	active	ADJ
eurjchem-1976	118	13	sites	site	NOUN
eurjchem-1976	118	14	of	of	ADP
eurjchem-1976	118	15	the	the	DET
eurjchem-1976	118	16	target	target	NOUN
eurjchem-1976	118	17	(	(	PUNCT
eurjchem-1976	118	18	mtorc1	mtorc1	NOUN
eurjchem-1976	118	19	)	)	PUNCT
eurjchem-1976	118	20	.	.	PUNCT
eurjchem-1976	119	1	the	the	DET
eurjchem-1976	119	2	binding	bind	VERB
eurjchem-1976	119	3	affinity	affinity	NOUN
eurjchem-1976	119	4	values	value	NOUN
eurjchem-1976	119	5	for	for	ADP
eurjchem-1976	119	6	designed	design	VERB
eurjchem-1976	119	7	compounds	compound	NOUN
eurjchem-1976	119	8	range	range	VERB
eurjchem-1976	119	9	from	from	ADP
eurjchem-1976	119	10	-24.8616	-24.8616	PUNCT
eurjchem-1976	119	11	to	to	ADP
eurjchem-1976	119	12	-18.0398	-18.0398	PUNCT
eurjchem-1976	119	13	kcal	kcal	PROPN
eurjchem-1976	119	14	/	/	SYM
eurjchem-1976	119	15	mol	mol	PROPN
eurjchem-1976	119	16	as	as	SCONJ
eurjchem-1976	119	17	reported	report	VERB
eurjchem-1976	119	18	in	in	ADP
eurjchem-1976	119	19	table	table	NOUN
eurjchem-1976	119	20	8	8	NUM
eurjchem-1976	119	21	.	.	PUNCT
eurjchem-1976	119	22	192	192	NUM
eurjchem-1976	119	23	mohamed	mohame	VERB
eurjchem-1976	119	24	et	et	PROPN
eurjchem-1976	119	25	al	al	PROPN
eurjchem-1976	119	26	.	.	PUNCT
eurjchem-1976	119	27	/	/	SYM
eurjchem-1976	119	28	european	european	PROPN
eurjchem-1976	119	29	journal	journal	PROPN
eurjchem-1976	119	30	of	of	ADP
eurjchem-1976	119	31	chemistry	chemistry	NOUN
eurjchem-1976	119	32	11	11	NUM
eurjchem-1976	119	33	(	(	PUNCT
eurjchem-1976	119	34	3	3	NUM
eurjchem-1976	119	35	)	)	PUNCT
eurjchem-1976	119	36	(	(	PUNCT
eurjchem-1976	119	37	2020	2020	NUM
eurjchem-1976	119	38	)	)	PUNCT
eurjchem-1976	119	39	187	187	NUM
eurjchem-1976	119	40	-	-	SYM
eurjchem-1976	119	41	193	193	NUM
eurjchem-1976	119	42	2020	2020	NUM
eurjchem-1976	119	43	–	–	PUNCT
eurjchem-1976	119	44	european	european	ADJ
eurjchem-1976	119	45	journal	journal	NOUN
eurjchem-1976	119	46	of	of	ADP
eurjchem-1976	119	47	chemistry	chemistry	NOUN
eurjchem-1976	119	48	–	–	PUNCT
eurjchem-1976	119	49	cc	cc	NOUN
eurjchem-1976	119	50	by	by	ADP
eurjchem-1976	119	51	nc	nc	PROPN
eurjchem-1976	119	52	–	–	PUNCT
eurjchem-1976	119	53	doi	doi	PROPN
eurjchem-1976	119	54	:	:	PUNCT
eurjchem-1976	119	55	10.5155	10.5155	NUM
eurjchem-1976	119	56	/	/	SYM
eurjchem-1976	119	57	eurjchem.11.3.187	eurjchem.11.3.187	NOUN
eurjchem-1976	119	58	-	-	PUNCT
eurjchem-1976	119	59	193.1976	193.1976	NOUN
eurjchem-1976	119	60	(	(	PUNCT
eurjchem-1976	119	61	a	a	NOUN
eurjchem-1976	119	62	)	)	PUNCT
eurjchem-1976	119	63	(	(	PUNCT
eurjchem-1976	119	64	b	b	X
eurjchem-1976	119	65	)	)	PUNCT
eurjchem-1976	119	66	(	(	PUNCT
eurjchem-1976	119	67	c	c	X
eurjchem-1976	119	68	)	)	PUNCT
eurjchem-1976	119	69	figure	figure	NOUN
eurjchem-1976	119	70	1	1	NUM
eurjchem-1976	119	71	.	.	PUNCT
eurjchem-1976	119	72	predicted	predict	VERB
eurjchem-1976	119	73	versus	versus	ADP
eurjchem-1976	119	74	experimental	experimental	ADJ
eurjchem-1976	119	75	pec50	pec50	PROPN
eurjchem-1976	119	76	values	value	NOUN
eurjchem-1976	119	77	of	of	ADP
eurjchem-1976	119	78	(	(	PUNCT
eurjchem-1976	119	79	a	a	X
eurjchem-1976	119	80	)	)	PUNCT
eurjchem-1976	119	81	training	training	NOUN
eurjchem-1976	119	82	set	set	NOUN
eurjchem-1976	119	83	,	,	PUNCT
eurjchem-1976	119	84	(	(	PUNCT
eurjchem-1976	119	85	b	b	X
eurjchem-1976	119	86	)	)	PUNCT
eurjchem-1976	119	87	cross	cross	NOUN
eurjchem-1976	119	88	validation	validation	NOUN
eurjchem-1976	119	89	set	set	NOUN
eurjchem-1976	119	90	,	,	PUNCT
eurjchem-1976	119	91	and	and	CCONJ
eurjchem-1976	119	92	(	(	PUNCT
eurjchem-1976	119	93	c	c	NOUN
eurjchem-1976	119	94	)	)	PUNCT
eurjchem-1976	119	95	test	test	NOUN
eurjchem-1976	119	96	set	set	VERB
eurjchem-1976	119	97	against	against	ADP
eurjchem-1976	119	98	human	human	ADJ
eurjchem-1976	119	99	pancreatic	pancreatic	NOUN
eurjchem-1976	119	100	cancer	cancer	NOUN
eurjchem-1976	119	101	mia	mia	PROPN
eurjchem-1976	119	102	paca2	paca2	PROPN
eurjchem-1976	119	103	.	.	PUNCT
eurjchem-1976	120	1	compound	compound	NOUN
eurjchem-1976	120	2	1	1	NUM
eurjchem-1976	120	3	compound	compound	NOUN
eurjchem-1976	120	4	4	4	NUM
eurjchem-1976	120	5	compound	compound	NOUN
eurjchem-1976	120	6	13	13	NUM
eurjchem-1976	120	7	figure	figure	NOUN
eurjchem-1976	120	8	2	2	NUM
eurjchem-1976	120	9	.	.	X
eurjchem-1976	120	10	2d	2d	NUM
eurjchem-1976	120	11	molecular	molecular	ADJ
eurjchem-1976	120	12	docking	docking	NOUN
eurjchem-1976	120	13	model	model	NOUN
eurjchem-1976	120	14	of	of	ADP
eurjchem-1976	120	15	compounds	compound	NOUN
eurjchem-1976	120	16	1	1	NUM
eurjchem-1976	120	17	,	,	PUNCT
eurjchem-1976	120	18	4	4	NUM
eurjchem-1976	120	19	and	and	CCONJ
eurjchem-1976	120	20	13	13	NUM
eurjchem-1976	120	21	with	with	ADP
eurjchem-1976	120	22	6s6a	6s6a	PRON
eurjchem-1976	120	23	.	.	PUNCT
eurjchem-1976	121	1	compound	compound	NOUN
eurjchem-1976	121	2	1	1	NUM
eurjchem-1976	121	3	compound	compound	NOUN
eurjchem-1976	121	4	4	4	NUM
eurjchem-1976	121	5	compound	compound	NOUN
eurjchem-1976	121	6	13	13	NUM
eurjchem-1976	121	7	figure	figure	NOUN
eurjchem-1976	121	8	3	3	NUM
eurjchem-1976	121	9	.	.	PUNCT
eurjchem-1976	121	10	3d	3d	NUM
eurjchem-1976	121	11	model	model	NOUN
eurjchem-1976	121	12	of	of	ADP
eurjchem-1976	121	13	the	the	DET
eurjchem-1976	121	14	interaction	interaction	NOUN
eurjchem-1976	121	15	between	between	ADP
eurjchem-1976	121	16	compounds	compound	NOUN
eurjchem-1976	121	17	1	1	NUM
eurjchem-1976	121	18	,	,	PUNCT
eurjchem-1976	121	19	4	4	NUM
eurjchem-1976	121	20	and	and	CCONJ
eurjchem-1976	121	21	13	13	NUM
eurjchem-1976	121	22	with	with	ADP
eurjchem-1976	121	23	6s6a	6s6a	PRON
eurjchem-1976	121	24	.	.	PUNCT
eurjchem-1976	122	1	y	y	NOUN
eurjchem-1976	122	2	=	=	PUNCT
eurjchem-1976	122	3	0.9368x	0.9368x	PROPN
eurjchem-1976	123	1	+	+	CCONJ
eurjchem-1976	124	1	0.3292	0.3292	NUM
eurjchem-1976	124	2	r²	r²	NOUN
eurjchem-1976	124	3	=	=	NOUN
eurjchem-1976	124	4	0.9368	0.9368	NUM
eurjchem-1976	124	5	4.2	4.2	NUM
eurjchem-1976	124	6	4.4	4.4	NUM
eurjchem-1976	124	7	4.6	4.6	NUM
eurjchem-1976	124	8	4.8	4.8	NUM
eurjchem-1976	124	9	5.0	5.0	NUM
eurjchem-1976	124	10	5.2	5.2	NUM
eurjchem-1976	124	11	5.4	5.4	NUM
eurjchem-1976	124	12	5.6	5.6	NUM
eurjchem-1976	124	13	5.8	5.8	NUM
eurjchem-1976	124	14	6.0	6.0	NUM
eurjchem-1976	124	15	6.2	6.2	NUM
eurjchem-1976	124	16	6.4	6.4	NUM
eurjchem-1976	124	17	4.2	4.2	NUM
eurjchem-1976	124	18	4.4	4.4	NUM
eurjchem-1976	124	19	4.6	4.6	NUM
eurjchem-1976	124	20	4.8	4.8	NUM
eurjchem-1976	124	21	5.0	5.0	NUM
eurjchem-1976	124	22	5.2	5.2	NUM
eurjchem-1976	124	23	5.4	5.4	NUM
eurjchem-1976	124	24	5.6	5.6	NUM
eurjchem-1976	124	25	5.8	5.8	NUM
eurjchem-1976	124	26	6.0	6.0	NUM
eurjchem-1976	124	27	6.2	6.2	NUM
eurjchem-1976	124	28	6.4	6.4	NUM
eurjchem-1976	124	29	pe	pe	ADP
eurjchem-1976	124	30	c	c	NOUN
eurjchem-1976	124	31	5	5	NUM
eurjchem-1976	124	32	0	0	NUM
eurjchem-1976	124	33	pr	pr	NOUN
eurjchem-1976	124	34	ed	ed	PROPN
eurjchem-1976	124	35	pec50	pec50	PROPN
eurjchem-1976	124	36	exp	exp	NOUN
eurjchem-1976	124	37	y	y	PROPN
eurjchem-1976	124	38	=	=	SYM
eurjchem-1976	124	39	0.9089x	0.9089x	ADJ
eurjchem-1976	124	40	+	+	PUNCT
eurjchem-1976	124	41	0.4893	0.4893	NUM
eurjchem-1976	124	42	r²	r²	NOUN
eurjchem-1976	124	43	=	=	SYM
eurjchem-1976	124	44	0.8801	0.8801	NUM
eurjchem-1976	124	45	4.2	4.2	NUM
eurjchem-1976	124	46	4.4	4.4	NUM
eurjchem-1976	124	47	4.6	4.6	NUM
eurjchem-1976	124	48	4.8	4.8	NUM
eurjchem-1976	124	49	5.0	5.0	NUM
eurjchem-1976	124	50	5.2	5.2	NUM
eurjchem-1976	124	51	5.4	5.4	NUM
eurjchem-1976	124	52	5.6	5.6	NUM
eurjchem-1976	124	53	5.8	5.8	NUM
eurjchem-1976	124	54	6.0	6.0	NUM
eurjchem-1976	124	55	6.2	6.2	NUM
eurjchem-1976	124	56	6.4	6.4	NUM
eurjchem-1976	124	57	4.2	4.2	NUM
eurjchem-1976	124	58	4.4	4.4	NUM
eurjchem-1976	124	59	4.6	4.6	NUM
eurjchem-1976	124	60	4.8	4.8	NUM
eurjchem-1976	124	61	5.0	5.0	NUM
eurjchem-1976	124	62	5.2	5.2	NUM
eurjchem-1976	124	63	5.4	5.4	NUM
eurjchem-1976	124	64	5.6	5.6	NUM
eurjchem-1976	124	65	5.8	5.8	NUM
eurjchem-1976	124	66	6.0	6.0	NUM
eurjchem-1976	124	67	6.2	6.2	NUM
eurjchem-1976	124	68	6.4	6.4	NUM
eurjchem-1976	124	69	cv	cv	NOUN
eurjchem-1976	124	70	pr	pr	NOUN
eurjchem-1976	124	71	ed	ed	PROPN
eurjchem-1976	124	72	pec50	pec50	PROPN
eurjchem-1976	124	73	exp	exp	NOUN
eurjchem-1976	124	74	y	y	PROPN
eurjchem-1976	124	75	=	=	PROPN
eurjchem-1976	124	76	2.5693x	2.5693x	NUM
eurjchem-1976	124	77	8.3391	8.3391	NUM
eurjchem-1976	124	78	r²	r²	NOUN
eurjchem-1976	124	79	=	=	PUNCT
eurjchem-1976	124	80	0.9896	0.9896	NUM
eurjchem-1976	124	81	4.2	4.2	NUM
eurjchem-1976	124	82	4.4	4.4	NUM
eurjchem-1976	124	83	4.6	4.6	NUM
eurjchem-1976	124	84	4.8	4.8	NUM
eurjchem-1976	124	85	5.0	5.0	NUM
eurjchem-1976	124	86	5.2	5.2	NUM
eurjchem-1976	124	87	5.4	5.4	NUM
eurjchem-1976	124	88	5.6	5.6	NUM
eurjchem-1976	124	89	5.8	5.8	NUM
eurjchem-1976	124	90	6.0	6.0	NUM
eurjchem-1976	124	91	6.2	6.2	NUM
eurjchem-1976	124	92	6.4	6.4	NUM
eurjchem-1976	124	93	5.0	5.0	NUM
eurjchem-1976	124	94	5.1	5.1	NUM
eurjchem-1976	124	95	5.2	5.2	NUM
eurjchem-1976	124	96	5.3	5.3	NUM
eurjchem-1976	124	97	5.4	5.4	NUM
eurjchem-1976	124	98	5.5	5.5	NUM
eurjchem-1976	124	99	5.6	5.6	NUM
eurjchem-1976	124	100	5.7	5.7	NUM
eurjchem-1976	124	101	pe	pe	NOUN
eurjchem-1976	124	102	c	c	NOUN
eurjchem-1976	124	103	5	5	NUM
eurjchem-1976	124	104	0	0	NUM
eurjchem-1976	124	105	pr	pr	NOUN
eurjchem-1976	124	106	ed	ed	PROPN
eurjchem-1976	124	107	pec50	pec50	PROPN
eurjchem-1976	124	108	exp	exp	PROPN
eurjchem-1976	124	109	mohamed	mohamed	PROPN
eurjchem-1976	124	110	et	et	PROPN
eurjchem-1976	124	111	al	al	PROPN
eurjchem-1976	124	112	.	.	PUNCT
eurjchem-1976	124	113	/	/	SYM
eurjchem-1976	124	114	european	european	PROPN
eurjchem-1976	124	115	journal	journal	PROPN
eurjchem-1976	124	116	of	of	ADP
eurjchem-1976	124	117	chemistry	chemistry	NOUN
eurjchem-1976	124	118	11	11	NUM
eurjchem-1976	124	119	(	(	PUNCT
eurjchem-1976	124	120	3	3	NUM
eurjchem-1976	124	121	)	)	PUNCT
eurjchem-1976	124	122	(	(	PUNCT
eurjchem-1976	124	123	2020	2020	NUM
eurjchem-1976	124	124	)	)	PUNCT
eurjchem-1976	124	125	187	187	NUM
eurjchem-1976	124	126	-	-	SYM
eurjchem-1976	124	127	193	193	NUM
eurjchem-1976	124	128	193	193	NUM
eurjchem-1976	124	129	2020	2020	NUM
eurjchem-1976	124	130	–	–	PUNCT
eurjchem-1976	124	131	european	european	ADJ
eurjchem-1976	124	132	journal	journal	NOUN
eurjchem-1976	124	133	of	of	ADP
eurjchem-1976	124	134	chemistry	chemistry	NOUN
eurjchem-1976	124	135	–	–	PUNCT
eurjchem-1976	124	136	cc	cc	NOUN
eurjchem-1976	124	137	by	by	ADP
eurjchem-1976	124	138	nc	nc	PROPN
eurjchem-1976	124	139	–	–	PUNCT
eurjchem-1976	124	140	doi	doi	PROPN
eurjchem-1976	124	141	:	:	PUNCT
eurjchem-1976	124	142	10.5155	10.5155	NUM
eurjchem-1976	124	143	/	/	SYM
eurjchem-1976	124	144	eurjchem.11.3.187	eurjchem.11.3.187	NOUN
eurjchem-1976	124	145	-	-	PUNCT
eurjchem-1976	124	146	193.1976	193.1976	NOUN
eurjchem-1976	124	147	however	however	ADV
eurjchem-1976	124	148	,	,	PUNCT
eurjchem-1976	124	149	three	three	NUM
eurjchem-1976	124	150	ligands	ligand	NOUN
eurjchem-1976	124	151	(	(	PUNCT
eurjchem-1976	124	152	1	1	NUM
eurjchem-1976	124	153	,	,	PUNCT
eurjchem-1976	124	154	4	4	NUM
eurjchem-1976	124	155	,	,	PUNCT
eurjchem-1976	124	156	and	and	CCONJ
eurjchem-1976	124	157	13	13	NUM
eurjchem-1976	124	158	)	)	PUNCT
eurjchem-1976	124	159	have	have	VERB
eurjchem-1976	124	160	higher	high	ADJ
eurjchem-1976	124	161	binding	bind	VERB
eurjchem-1976	124	162	score	score	NOUN
eurjchem-1976	124	163	,	,	PUNCT
eurjchem-1976	124	164	which	which	PRON
eurjchem-1976	124	165	ranges	range	VERB
eurjchem-1976	124	166	from	from	ADP
eurjchem-1976	124	167	-24.8616	-24.8616	PUNCT
eurjchem-1976	124	168	to	to	ADP
eurjchem-1976	124	169	-24.0026	-24.0026	PUNCT
eurjchem-1976	124	170	kcal	kcal	PROPN
eurjchem-1976	124	171	/	/	SYM
eurjchem-1976	124	172	mol	mol	PROPN
eurjchem-1976	124	173	,	,	PUNCT
eurjchem-1976	124	174	ligand	ligand	NOUN
eurjchem-1976	124	175	1	1	NUM
eurjchem-1976	124	176	formed	form	VERB
eurjchem-1976	124	177	two	two	NUM
eurjchem-1976	124	178	π	π	PROPN
eurjchem-1976	124	179	-	-	PUNCT
eurjchem-1976	124	180	cation	cation	NOUN
eurjchem-1976	124	181	interaction	interaction	NOUN
eurjchem-1976	124	182	with	with	ADP
eurjchem-1976	124	183	arga37	arga37	NOUN
eurjchem-1976	124	184	and	and	CCONJ
eurjchem-1976	124	185	lysa128	lysa128	PROPN
eurjchem-1976	124	186	,	,	PUNCT
eurjchem-1976	124	187	and	and	CCONJ
eurjchem-1976	124	188	two	two	NUM
eurjchem-1976	124	189	metal	metal	NOUN
eurjchem-1976	124	190	complexations	complexation	NOUN
eurjchem-1976	124	191	with	with	ADP
eurjchem-1976	124	192	mg	mg	PROPN
eurjchem-1976	124	193	ion	ion	NOUN
eurjchem-1976	124	194	with	with	ADP
eurjchem-1976	124	195	thra21	thra21	NOUN
eurjchem-1976	124	196	and	and	CCONJ
eurjchem-1976	124	197	thra42	thra42	NOUN
eurjchem-1976	124	198	.	.	PUNCT
eurjchem-1976	125	1	ligand	ligand	PROPN
eurjchem-1976	125	2	4	4	NUM
eurjchem-1976	125	3	formed	form	VERB
eurjchem-1976	125	4	three	three	NUM
eurjchem-1976	125	5	interactions	interaction	NOUN
eurjchem-1976	125	6	,	,	PUNCT
eurjchem-1976	125	7	a	a	DET
eurjchem-1976	125	8	π	π	ADJ
eurjchem-1976	125	9	-	-	NOUN
eurjchem-1976	125	10	cation	cation	NOUN
eurjchem-1976	125	11	interaction	interaction	NOUN
eurjchem-1976	125	12	with	with	ADP
eurjchem-1976	125	13	arga37	arga37	NOUN
eurjchem-1976	125	14	and	and	CCONJ
eurjchem-1976	125	15	two	two	NUM
eurjchem-1976	125	16	metal	metal	NOUN
eurjchem-1976	125	17	complexations	complexation	NOUN
eurjchem-1976	125	18	with	with	ADP
eurjchem-1976	125	19	mg	mg	PROPN
eurjchem-1976	125	20	ion	ion	NOUN
eurjchem-1976	125	21	with	with	ADP
eurjchem-1976	125	22	thra21	thra21	NOUN
eurjchem-1976	125	23	and	and	CCONJ
eurjchem-1976	125	24	thra42	thra42	NOUN
eurjchem-1976	125	25	.	.	PUNCT
eurjchem-1976	126	1	ligand	ligand	PROPN
eurjchem-1976	126	2	13	13	NUM
eurjchem-1976	126	3	formed	form	VERB
eurjchem-1976	126	4	two	two	NUM
eurjchem-1976	126	5	π	π	ADJ
eurjchem-1976	126	6	-	-	NOUN
eurjchem-1976	126	7	cation	cation	NOUN
eurjchem-1976	126	8	interactions	interaction	NOUN
eurjchem-1976	126	9	with	with	ADP
eurjchem-1976	126	10	arga37	arga37	NOUN
eurjchem-1976	126	11	and	and	CCONJ
eurjchem-1976	126	12	lysa128	lysa128	PROPN
eurjchem-1976	126	13	(	(	PUNCT
eurjchem-1976	126	14	figure	figure	NOUN
eurjchem-1976	126	15	2	2	NUM
eurjchem-1976	126	16	and	and	CCONJ
eurjchem-1976	126	17	3	3	NUM
eurjchem-1976	126	18	)	)	PUNCT
eurjchem-1976	126	19	.	.	PUNCT
eurjchem-1976	127	1	4	4	X
eurjchem-1976	127	2	.	.	X
eurjchem-1976	127	3	conclusion	conclusion	NOUN
eurjchem-1976	127	4	in	in	ADP
eurjchem-1976	127	5	this	this	DET
eurjchem-1976	127	6	work	work	NOUN
eurjchem-1976	127	7	,	,	PUNCT
eurjchem-1976	127	8	a	a	DET
eurjchem-1976	127	9	qsar	qsar	NOUN
eurjchem-1976	127	10	study	study	NOUN
eurjchem-1976	127	11	was	be	AUX
eurjchem-1976	127	12	performed	perform	VERB
eurjchem-1976	127	13	based	base	VERB
eurjchem-1976	127	14	on	on	ADP
eurjchem-1976	127	15	theoretical	theoretical	ADJ
eurjchem-1976	127	16	molecular	molecular	ADJ
eurjchem-1976	127	17	descriptors	descriptor	NOUN
eurjchem-1976	127	18	,	,	PUNCT
eurjchem-1976	127	19	the	the	DET
eurjchem-1976	127	20	built	build	VERB
eurjchem-1976	127	21	model	model	NOUN
eurjchem-1976	127	22	serves	serve	VERB
eurjchem-1976	127	23	as	as	ADP
eurjchem-1976	127	24	a	a	DET
eurjchem-1976	127	25	guide	guide	NOUN
eurjchem-1976	127	26	for	for	ADP
eurjchem-1976	127	27	providing	provide	VERB
eurjchem-1976	127	28	the	the	DET
eurjchem-1976	127	29	structural	structural	ADJ
eurjchem-1976	127	30	requirements	requirement	NOUN
eurjchem-1976	127	31	affecting	affect	VERB
eurjchem-1976	127	32	the	the	DET
eurjchem-1976	127	33	anticancer	anticancer	NOUN
eurjchem-1976	127	34	activity	activity	NOUN
eurjchem-1976	127	35	against	against	ADP
eurjchem-1976	127	36	pancreatic	pancreatic	ADJ
eurjchem-1976	127	37	cancer	cancer	NOUN
eurjchem-1976	127	38	cell	cell	NOUN
eurjchem-1976	127	39	line	line	NOUN
eurjchem-1976	127	40	mia	mia	PROPN
eurjchem-1976	127	41	paca2	paca2	PROPN
eurjchem-1976	127	42	,	,	PUNCT
eurjchem-1976	127	43	through	through	ADP
eurjchem-1976	127	44	the	the	DET
eurjchem-1976	127	45	identification	identification	NOUN
eurjchem-1976	127	46	of	of	ADP
eurjchem-1976	127	47	the	the	DET
eurjchem-1976	127	48	most	most	ADV
eurjchem-1976	127	49	relevant	relevant	ADJ
eurjchem-1976	127	50	selected	select	VERB
eurjchem-1976	127	51	molecular	molecular	ADJ
eurjchem-1976	127	52	descriptors	descriptor	NOUN
eurjchem-1976	127	53	in	in	ADP
eurjchem-1976	127	54	the	the	DET
eurjchem-1976	127	55	models	model	NOUN
eurjchem-1976	127	56	,	,	PUNCT
eurjchem-1976	127	57	comprehensive	comprehensive	ADJ
eurjchem-1976	127	58	assessment	assessment	NOUN
eurjchem-1976	127	59	(	(	PUNCT
eurjchem-1976	127	60	internal	internal	ADJ
eurjchem-1976	127	61	and	and	CCONJ
eurjchem-1976	127	62	external	external	ADJ
eurjchem-1976	127	63	validation	validation	NOUN
eurjchem-1976	127	64	)	)	PUNCT
eurjchem-1976	127	65	indicate	indicate	VERB
eurjchem-1976	127	66	that	that	SCONJ
eurjchem-1976	127	67	the	the	DET
eurjchem-1976	127	68	built	build	VERB
eurjchem-1976	127	69	qsar	qsar	NOUN
eurjchem-1976	127	70	model	model	NOUN
eurjchem-1976	127	71	was	be	AUX
eurjchem-1976	127	72	robust	robust	ADJ
eurjchem-1976	127	73	and	and	CCONJ
eurjchem-1976	127	74	satisfactory	satisfactory	ADJ
eurjchem-1976	127	75	,	,	PUNCT
eurjchem-1976	127	76	and	and	CCONJ
eurjchem-1976	127	77	that	that	SCONJ
eurjchem-1976	127	78	the	the	DET
eurjchem-1976	127	79	selected	select	VERB
eurjchem-1976	127	80	descriptors	descriptor	NOUN
eurjchem-1976	127	81	could	could	AUX
eurjchem-1976	127	82	account	account	VERB
eurjchem-1976	127	83	for	for	ADP
eurjchem-1976	127	84	the	the	DET
eurjchem-1976	127	85	structural	structural	ADJ
eurjchem-1976	127	86	features	feature	NOUN
eurjchem-1976	127	87	responsible	responsible	ADJ
eurjchem-1976	127	88	for	for	ADP
eurjchem-1976	127	89	anticancer	anticancer	NOUN
eurjchem-1976	127	90	drugs	drug	NOUN
eurjchem-1976	127	91	activity	activity	NOUN
eurjchem-1976	127	92	of	of	ADP
eurjchem-1976	127	93	the	the	DET
eurjchem-1976	127	94	compounds	compound	NOUN
eurjchem-1976	127	95	.	.	PUNCT
eurjchem-1976	128	1	the	the	DET
eurjchem-1976	128	2	qsar	qsar	PROPN
eurjchem-1976	128	3	model	model	NOUN
eurjchem-1976	128	4	developed	develop	VERB
eurjchem-1976	128	5	and	and	CCONJ
eurjchem-1976	128	6	molecular	molecular	ADJ
eurjchem-1976	128	7	docking	docking	NOUN
eurjchem-1976	128	8	in	in	ADP
eurjchem-1976	128	9	this	this	DET
eurjchem-1976	128	10	study	study	NOUN
eurjchem-1976	128	11	can	can	AUX
eurjchem-1976	128	12	provide	provide	VERB
eurjchem-1976	128	13	a	a	DET
eurjchem-1976	128	14	useful	useful	ADJ
eurjchem-1976	128	15	tool	tool	NOUN
eurjchem-1976	128	16	to	to	PART
eurjchem-1976	128	17	predict	predict	VERB
eurjchem-1976	128	18	the	the	DET
eurjchem-1976	128	19	activity	activity	NOUN
eurjchem-1976	128	20	of	of	ADP
eurjchem-1976	128	21	new	new	ADJ
eurjchem-1976	128	22	compounds	compound	NOUN
eurjchem-1976	128	23	and	and	CCONJ
eurjchem-1976	128	24	also	also	ADV
eurjchem-1976	128	25	to	to	PART
eurjchem-1976	128	26	design	design	VERB
eurjchem-1976	128	27	new	new	ADJ
eurjchem-1976	128	28	compounds	compound	NOUN
eurjchem-1976	128	29	with	with	ADP
eurjchem-1976	128	30	high	high	ADJ
eurjchem-1976	128	31	activity	activity	NOUN
eurjchem-1976	128	32	.	.	PUNCT
eurjchem-1976	129	1	disclosure	disclosure	NOUN
eurjchem-1976	129	2	statement	statement	NOUN
eurjchem-1976	129	3	conflict	conflict	NOUN
eurjchem-1976	129	4	of	of	ADP
eurjchem-1976	129	5	interests	interest	NOUN
eurjchem-1976	129	6	:	:	PUNCT
eurjchem-1976	129	7	the	the	DET
eurjchem-1976	129	8	authors	author	NOUN
eurjchem-1976	129	9	declare	declare	VERB
eurjchem-1976	129	10	that	that	SCONJ
eurjchem-1976	129	11	they	they	PRON
eurjchem-1976	129	12	have	have	VERB
eurjchem-1976	129	13	no	no	DET
eurjchem-1976	129	14	conflict	conflict	NOUN
eurjchem-1976	129	15	of	of	ADP
eurjchem-1976	129	16	interest	interest	NOUN
eurjchem-1976	129	17	.	.	PUNCT
eurjchem-1976	130	1	author	author	NOUN
eurjchem-1976	130	2	contributions	contribution	NOUN
eurjchem-1976	130	3	:	:	PUNCT
eurjchem-1976	130	4	all	all	DET
eurjchem-1976	130	5	authors	author	NOUN
eurjchem-1976	130	6	contributed	contribute	VERB
eurjchem-1976	130	7	equally	equally	ADV
eurjchem-1976	130	8	to	to	ADP
eurjchem-1976	130	9	this	this	DET
eurjchem-1976	130	10	work	work	NOUN
eurjchem-1976	130	11	.	.	PUNCT
eurjchem-1976	131	1	ethical	ethical	ADJ
eurjchem-1976	131	2	approval	approval	NOUN
eurjchem-1976	131	3	:	:	PUNCT
eurjchem-1976	132	1	all	all	DET
eurjchem-1976	132	2	ethical	ethical	ADJ
eurjchem-1976	132	3	guidelines	guideline	NOUN
eurjchem-1976	132	4	have	have	AUX
eurjchem-1976	132	5	been	be	AUX
eurjchem-1976	132	6	adhered	adhere	VERB
eurjchem-1976	132	7	.	.	PUNCT
eurjchem-1976	133	1	orcid	orcid	PROPN
eurjchem-1976	133	2	hiba	hiba	PROPN
eurjchem-1976	133	3	hashim	hashim	PROPN
eurjchem-1976	133	4	mahgoub	mahgoub	PROPN
eurjchem-1976	133	5	mohamed	mohamed	PROPN
eurjchem-1976	133	6	http://orcid.org/0000-0002-1294-6130	http://orcid.org/0000-0002-1294-6130	PROPN
eurjchem-1976	133	7	amna	amna	PROPN
eurjchem-1976	133	8	bint	bint	PROPN
eurjchem-1976	133	9	wahab	wahab	PROPN
eurjchem-1976	133	10	elrashid	elrashid	PROPN
eurjchem-1976	133	11	mohammed	mohammed	PROPN
eurjchem-1976	133	12	hussien	hussien	PROPN
eurjchem-1976	133	13	http://orcid.org/0000-0001-7588-0231	http://orcid.org/0000-0001-7588-0231	PROPN
eurjchem-1976	133	14	ahmed	ahmed	PROPN
eurjchem-1976	133	15	elsadig	elsadig	PROPN
eurjchem-1976	133	16	mohammed	mohammed	PROPN
eurjchem-1976	133	17	saeed	saeed	PROPN
eurjchem-1976	133	18	http://orcid.org/0000-0002-7317-8040	http://orcid.org/0000-0002-7317-8040	PROPN
eurjchem-1976	133	19	references	reference	NOUN
eurjchem-1976	133	20	[	[	X
eurjchem-1976	133	21	1	1	NUM
eurjchem-1976	133	22	]	]	PUNCT
eurjchem-1976	133	23	.	.	PUNCT
eurjchem-1976	134	1	levine	levine	PROPN
eurjchem-1976	134	2	,	,	PUNCT
eurjchem-1976	134	3	b.	b.	PROPN
eurjchem-1976	134	4	;	;	PUNCT
eurjchem-1976	134	5	kroemer	kroemer	PROPN
eurjchem-1976	134	6	,	,	PUNCT
eurjchem-1976	134	7	g.	g.	PROPN
eurjchem-1976	134	8	cell	cell	PROPN
eurjchem-1976	134	9	2008	2008	NUM
eurjchem-1976	134	10	,	,	PUNCT
eurjchem-1976	134	11	132(1	132(1	NUM
eurjchem-1976	134	12	)	)	PUNCT
eurjchem-1976	134	13	,	,	PUNCT
eurjchem-1976	134	14	27	27	NUM
eurjchem-1976	134	15	-	-	SYM
eurjchem-1976	134	16	42	42	NUM
eurjchem-1976	134	17	.	.	PUNCT
eurjchem-1976	135	1	[	[	X
eurjchem-1976	135	2	2	2	NUM
eurjchem-1976	135	3	]	]	PUNCT
eurjchem-1976	135	4	.	.	PUNCT
eurjchem-1976	136	1	glick	glick	PROPN
eurjchem-1976	136	2	,	,	PUNCT
eurjchem-1976	136	3	d.	d.	PROPN
eurjchem-1976	136	4	;	;	PUNCT
eurjchem-1976	136	5	barth	barth	PROPN
eurjchem-1976	136	6	,	,	PUNCT
eurjchem-1976	136	7	s.	s.	PROPN
eurjchem-1976	136	8	;	;	PUNCT
eurjchem-1976	136	9	macleod	macleod	PROPN
eurjchem-1976	136	10	,	,	PUNCT
eurjchem-1976	136	11	k.	k.	PROPN
eurjchem-1976	136	12	f.	f.	PROPN
eurjchem-1976	136	13	j.	j.	PROPN
eurjchem-1976	136	14	pathol	pathol	PROPN
eurjchem-1976	136	15	.	.	PUNCT
eurjchem-1976	136	16	2010	2010	NUM
eurjchem-1976	136	17	,	,	PUNCT
eurjchem-1976	136	18	221(1	221(1	NUM
eurjchem-1976	136	19	)	)	PUNCT
eurjchem-1976	136	20	,	,	PUNCT
eurjchem-1976	136	21	3	3	NUM
eurjchem-1976	136	22	-	-	SYM
eurjchem-1976	136	23	12	12	NUM
eurjchem-1976	136	24	.	.	PUNCT
eurjchem-1976	137	1	[	[	X
eurjchem-1976	137	2	3	3	NUM
eurjchem-1976	137	3	]	]	PUNCT
eurjchem-1976	137	4	.	.	PUNCT
eurjchem-1976	138	1	shintani	shintani	PROPN
eurjchem-1976	138	2	,	,	PUNCT
eurjchem-1976	138	3	t.	t.	PROPN
eurjchem-1976	138	4	;	;	PUNCT
eurjchem-1976	138	5	klionsky	klionsky	PROPN
eurjchem-1976	138	6	,	,	PUNCT
eurjchem-1976	138	7	d.	d.	PROPN
eurjchem-1976	138	8	j.	j.	PROPN
eurjchem-1976	138	9	science	science	PROPN
eurjchem-1976	138	10	2004	2004	NUM
eurjchem-1976	138	11	,	,	PUNCT
eurjchem-1976	138	12	306(5698	306(5698	NUM
eurjchem-1976	138	13	)	)	PUNCT
eurjchem-1976	138	14	,	,	PUNCT
eurjchem-1976	138	15	990	990	NUM
eurjchem-1976	138	16	-	-	SYM
eurjchem-1976	138	17	995	995	NUM
eurjchem-1976	138	18	.	.	PUNCT
eurjchem-1976	139	1	[	[	X
eurjchem-1976	139	2	4	4	NUM
eurjchem-1976	139	3	]	]	PUNCT
eurjchem-1976	139	4	.	.	PUNCT
eurjchem-1976	140	1	li	li	PROPN
eurjchem-1976	140	2	,	,	PUNCT
eurjchem-1976	140	3	w.	w.	PROPN
eurjchem-1976	140	4	w.	w.	PROPN
eurjchem-1976	140	5	;	;	PUNCT
eurjchem-1976	140	6	li	li	PROPN
eurjchem-1976	140	7	,	,	PUNCT
eurjchem-1976	140	8	j.	j.	PROPN
eurjchem-1976	140	9	;	;	PUNCT
eurjchem-1976	140	10	bao	bao	PROPN
eurjchem-1976	140	11	,	,	PUNCT
eurjchem-1976	140	12	j.	j.	PROPN
eurjchem-1976	140	13	k.	k.	PROPN
eurjchem-1976	140	14	cell	cell	PROPN
eurjchem-1976	140	15	.	.	PUNCT
eurjchem-1976	141	1	mol	mol	PROPN
eurjchem-1976	141	2	.	.	PUNCT
eurjchem-1976	141	3	life	life	NOUN
eurjchem-1976	141	4	sci	sci	PROPN
eurjchem-1976	141	5	2012	2012	NUM
eurjchem-1976	141	6	,	,	PUNCT
eurjchem-1976	141	7	69(7	69(7	NOUN
eurjchem-1976	141	8	)	)	PUNCT
eurjchem-1976	141	9	,	,	PUNCT
eurjchem-1976	141	10	1125	1125	NUM
eurjchem-1976	141	11	-	-	SYM
eurjchem-1976	141	12	1136	1136	NUM
eurjchem-1976	141	13	.	.	PUNCT
eurjchem-1976	142	1	[	[	X
eurjchem-1976	142	2	5	5	NUM
eurjchem-1976	142	3	]	]	PUNCT
eurjchem-1976	142	4	.	.	PUNCT
eurjchem-1976	142	5	arias	arias	PROPN
eurjchem-1976	142	6	,	,	PUNCT
eurjchem-1976	142	7	e.	e.	PROPN
eurjchem-1976	142	8	;	;	PUNCT
eurjchem-1976	142	9	cuervo	cuervo	PROPN
eurjchem-1976	142	10	,	,	PUNCT
eurjchem-1976	142	11	a.	a.	NOUN
eurjchem-1976	142	12	m.	m.	NOUN
eurjchem-1976	142	13	curr	curr	PROPN
eurjchem-1976	142	14	.	.	PUNCT
eurjchem-1976	143	1	opin	opin	NOUN
eurjchem-1976	143	2	.	.	PUNCT
eurjchem-1976	144	1	cell	cell	NOUN
eurjchem-1976	144	2	biol	biol	PROPN
eurjchem-1976	144	3	.	.	PUNCT
eurjchem-1976	145	1	2011	2011	NUM
eurjchem-1976	145	2	,	,	PUNCT
eurjchem-1976	145	3	23(2	23(2	NUM
eurjchem-1976	145	4	)	)	PUNCT
eurjchem-1976	145	5	,	,	PUNCT
eurjchem-1976	145	6	184	184	NUM
eurjchem-1976	145	7	-	-	SYM
eurjchem-1976	145	8	189	189	NUM
eurjchem-1976	145	9	.	.	PUNCT
eurjchem-1976	146	1	[	[	X
eurjchem-1976	146	2	6	6	NUM
eurjchem-1976	146	3	]	]	PUNCT
eurjchem-1976	146	4	.	.	PUNCT
eurjchem-1976	147	1	mizushima	mizushima	PROPN
eurjchem-1976	147	2	,	,	PUNCT
eurjchem-1976	147	3	n.	n.	PROPN
eurjchem-1976	147	4	;	;	PUNCT
eurjchem-1976	147	5	komatsu	komatsu	NOUN
eurjchem-1976	147	6	,	,	PUNCT
eurjchem-1976	147	7	m.	m.	NOUN
eurjchem-1976	147	8	cell	cell	NOUN
eurjchem-1976	147	9	2011	2011	NUM
eurjchem-1976	147	10	,	,	PUNCT
eurjchem-1976	147	11	147	147	NUM
eurjchem-1976	147	12	,	,	PUNCT
eurjchem-1976	147	13	728	728	NUM
eurjchem-1976	147	14	-	-	SYM
eurjchem-1976	147	15	741	741	NUM
eurjchem-1976	147	16	.	.	PUNCT
eurjchem-1976	148	1	[	[	X
eurjchem-1976	148	2	7	7	NUM
eurjchem-1976	148	3	]	]	PUNCT
eurjchem-1976	148	4	.	.	PUNCT
eurjchem-1976	149	1	badadani	badadani	PROPN
eurjchem-1976	149	2	,	,	PUNCT
eurjchem-1976	149	3	m.	m.	NOUN
eurjchem-1976	149	4	isrn	isrn	NOUN
eurjchem-1976	149	5	cell	cell	NOUN
eurjchem-1976	149	6	biology	biology	NOUN
eurjchem-1976	149	7	2012	2012	NUM
eurjchem-1976	149	8	,	,	PUNCT
eurjchem-1976	149	9	2012	2012	NUM
eurjchem-1976	149	10	,	,	PUNCT
eurjchem-1976	149	11	1	1	NUM
eurjchem-1976	149	12	-	-	SYM
eurjchem-1976	149	13	11	11	NUM
eurjchem-1976	149	14	.	.	PUNCT
eurjchem-1976	150	1	[	[	X
eurjchem-1976	150	2	8	8	NUM
eurjchem-1976	150	3	]	]	PUNCT
eurjchem-1976	150	4	.	.	PUNCT
eurjchem-1976	151	1	kaur	kaur	PROPN
eurjchem-1976	151	2	,	,	PUNCT
eurjchem-1976	151	3	j.	j.	PROPN
eurjchem-1976	151	4	;	;	PUNCT
eurjchem-1976	151	5	debnath	debnath	PROPN
eurjchem-1976	151	6	,	,	PUNCT
eurjchem-1976	151	7	j.	j.	PROPN
eurjchem-1976	151	8	nat	nat	PROPN
eurjchem-1976	151	9	.	.	PUNCT
eurjchem-1976	152	1	rev	rev	PROPN
eurjchem-1976	152	2	.	.	PROPN
eurjchem-1976	152	3	mol	mol	PROPN
eurjchem-1976	152	4	.	.	PROPN
eurjchem-1976	152	5	cell	cell	PROPN
eurjchem-1976	152	6	biol	biol	PROPN
eurjchem-1976	152	7	.	.	PUNCT
eurjchem-1976	153	1	2015	2015	NUM
eurjchem-1976	153	2	,	,	PUNCT
eurjchem-1976	153	3	16(8	16(8	NUM
eurjchem-1976	153	4	)	)	PUNCT
eurjchem-1976	153	5	,	,	PUNCT
eurjchem-1976	153	6	461	461	NUM
eurjchem-1976	153	7	-	-	SYM
eurjchem-1976	153	8	472	472	NUM
eurjchem-1976	153	9	.	.	PUNCT
eurjchem-1976	154	1	[	[	X
eurjchem-1976	154	2	9	9	NUM
eurjchem-1976	154	3	]	]	SYM
eurjchem-1976	154	4	.	.	PUNCT
eurjchem-1976	154	5	yu	yu	PROPN
eurjchem-1976	154	6	,	,	PUNCT
eurjchem-1976	154	7	l.	l.	PROPN
eurjchem-1976	154	8	;	;	PUNCT
eurjchem-1976	154	9	chen	chen	PROPN
eurjchem-1976	154	10	,	,	PUNCT
eurjchem-1976	154	11	y.	y.	PROPN
eurjchem-1976	154	12	;	;	PUNCT
eurjchem-1976	154	13	tooze	tooze	PROPN
eurjchem-1976	154	14	,	,	PUNCT
eurjchem-1976	154	15	s.	s.	PROPN
eurjchem-1976	154	16	a.	a.	PROPN
eurjchem-1976	154	17	autophagy	autophagy	VERB
eurjchem-1976	154	18	2018	2018	NUM
eurjchem-1976	154	19	,	,	PUNCT
eurjchem-1976	154	20	14(2	14(2	NUM
eurjchem-1976	154	21	)	)	PUNCT
eurjchem-1976	154	22	,	,	PUNCT
eurjchem-1976	154	23	207	207	NUM
eurjchem-1976	154	24	-	-	SYM
eurjchem-1976	154	25	215	215	NUM
eurjchem-1976	154	26	.	.	PUNCT
eurjchem-1976	155	1	[	[	X
eurjchem-1976	155	2	10	10	NUM
eurjchem-1976	155	3	]	]	PUNCT
eurjchem-1976	155	4	.	.	PUNCT
eurjchem-1976	156	1	kimmelman	kimmelman	NOUN
eurjchem-1976	156	2	,	,	PUNCT
eurjchem-1976	156	3	a.	a.	PROPN
eurjchem-1976	156	4	c.	c.	PROPN
eurjchem-1976	156	5	gene	gene	PROPN
eurjchem-1976	156	6	dev	dev	PROPN
eurjchem-1976	156	7	.	.	PROPN
eurjchem-1976	156	8	2011	2011	NUM
eurjchem-1976	156	9	,	,	PUNCT
eurjchem-1976	156	10	25(19	25(19	NUM
eurjchem-1976	156	11	)	)	PUNCT
eurjchem-1976	156	12	,	,	PUNCT
eurjchem-1976	156	13	1999	1999	NUM
eurjchem-1976	156	14	-	-	SYM
eurjchem-1976	156	15	2010	2010	NUM
eurjchem-1976	156	16	.	.	PUNCT
eurjchem-1976	157	1	[	[	X
eurjchem-1976	157	2	11	11	NUM
eurjchem-1976	157	3	]	]	PUNCT
eurjchem-1976	157	4	.	.	PUNCT
eurjchem-1976	158	1	yang	yang	PROPN
eurjchem-1976	158	2	,	,	PUNCT
eurjchem-1976	158	3	x.	x.	PROPN
eurjchem-1976	158	4	;	;	PUNCT
eurjchem-1976	158	5	yu	yu	PROPN
eurjchem-1976	158	6	,	,	PUNCT
eurjchem-1976	158	7	d.	d.	PROPN
eurjchem-1976	158	8	d.	d.	PROPN
eurjchem-1976	158	9	;	;	PUNCT
eurjchem-1976	158	10	yan	yan	PROPN
eurjchem-1976	158	11	,	,	PUNCT
eurjchem-1976	158	12	f.	f.	PROPN
eurjchem-1976	158	13	;	;	PUNCT
eurjchem-1976	158	14	jing	jing	PROPN
eurjchem-1976	158	15	,	,	PUNCT
eurjchem-1976	158	16	y.	y.	PROPN
eurjchem-1976	158	17	y.	y.	PROPN
eurjchem-1976	158	18	;	;	PUNCT
eurjchem-1976	158	19	han	han	PROPN
eurjchem-1976	158	20	,	,	PUNCT
eurjchem-1976	158	21	z.	z.	PROPN
eurjchem-1976	158	22	p.	p.	PROPN
eurjchem-1976	158	23	;	;	PUNCT
eurjchem-1976	158	24	sun	sun	PROPN
eurjchem-1976	158	25	,	,	PUNCT
eurjchem-1976	158	26	k.	k.	PROPN
eurjchem-1976	158	27	;	;	PUNCT
eurjchem-1976	158	28	liang	liang	PROPN
eurjchem-1976	158	29	,	,	PUNCT
eurjchem-1976	158	30	l.	l.	PROPN
eurjchem-1976	158	31	;	;	PUNCT
eurjchem-1976	158	32	hou	hou	PROPN
eurjchem-1976	158	33	,	,	PUNCT
eurjchem-1976	158	34	j.	j.	PROPN
eurjchem-1976	158	35	;	;	PUNCT
eurjchem-1976	158	36	wei	wei	PROPN
eurjchem-1976	158	37	,	,	PUNCT
eurjchem-1976	158	38	l.	l.	PROPN
eurjchem-1976	158	39	x.	x.	PROPN
eurjchem-1976	158	40	cell	cell	PROPN
eurjchem-1976	158	41	biosci	biosci	PROPN
eurjchem-1976	158	42	.	.	PUNCT
eurjchem-1976	159	1	2015	2015	NUM
eurjchem-1976	159	2	,	,	PUNCT
eurjchem-1976	159	3	5(1	5(1	NUM
eurjchem-1976	159	4	)	)	PUNCT
eurjchem-1976	159	5	,	,	PUNCT
eurjchem-1976	159	6	14	14	NUM
eurjchem-1976	159	7	.	.	PUNCT
eurjchem-1976	160	1	[	[	X
eurjchem-1976	160	2	12	12	NUM
eurjchem-1976	160	3	]	]	PUNCT
eurjchem-1976	160	4	.	.	PUNCT
eurjchem-1976	161	1	gracio	gracio	PROPN
eurjchem-1976	161	2	,	,	PUNCT
eurjchem-1976	161	3	d.	d.	PROPN
eurjchem-1976	161	4	;	;	PUNCT
eurjchem-1976	161	5	magro	magro	PROPN
eurjchem-1976	161	6	,	,	PUNCT
eurjchem-1976	161	7	f.	f.	PROPN
eurjchem-1976	161	8	;	;	PUNCT
eurjchem-1976	161	9	lima	lima	PROPN
eurjchem-1976	161	10	,	,	PUNCT
eurjchem-1976	161	11	r.	r.	PROPN
eurjchem-1976	161	12	t.	t.	PROPN
eurjchem-1976	161	13	;	;	PUNCT
eurjchem-1976	161	14	maximo	maximo	PROPN
eurjchem-1976	161	15	,	,	PUNCT
eurjchem-1976	161	16	v.	v.	ADP
eurjchem-1976	161	17	hematol	hematol	NOUN
eurjchem-1976	161	18	.	.	PUNCT
eurjchem-1976	162	1	med	med	PROPN
eurjchem-1976	162	2	.	.	PUNCT
eurjchem-1976	162	3	oncol	oncol	PROPN
eurjchem-1976	162	4	.	.	PUNCT
eurjchem-1976	163	1	2017	2017	NUM
eurjchem-1976	163	2	,	,	PUNCT
eurjchem-1976	163	3	2(1	2(1	NUM
eurjchem-1976	163	4	)	)	PUNCT
eurjchem-1976	163	5	,	,	PUNCT
eurjchem-1976	163	6	1	1	NUM
eurjchem-1976	163	7	-	-	SYM
eurjchem-1976	163	8	4	4	NUM
eurjchem-1976	163	9	.	.	PUNCT
eurjchem-1976	164	1	[	[	X
eurjchem-1976	164	2	13	13	NUM
eurjchem-1976	164	3	]	]	PUNCT
eurjchem-1976	164	4	.	.	PUNCT
eurjchem-1976	165	1	marinkovic	marinkovic	ADJ
eurjchem-1976	165	2	,	,	PUNCT
eurjchem-1976	165	3	m.	m.	NOUN
eurjchem-1976	165	4	;	;	PUNCT
eurjchem-1976	165	5	sprung	sprung	PROPN
eurjchem-1976	165	6	,	,	PUNCT
eurjchem-1976	165	7	m.	m.	NOUN
eurjchem-1976	165	8	;	;	PUNCT
eurjchem-1976	165	9	buljubasic	buljubasic	ADJ
eurjchem-1976	165	10	,	,	PUNCT
eurjchem-1976	165	11	m.	m.	NOUN
eurjchem-1976	165	12	;	;	PUNCT
eurjchem-1976	165	13	novak	novak	PROPN
eurjchem-1976	165	14	,	,	PUNCT
eurjchem-1976	165	15	i.	i.	PROPN
eurjchem-1976	165	16	oxid	oxid	PROPN
eurjchem-1976	165	17	.	.	PUNCT
eurjchem-1976	166	1	med	med	PROPN
eurjchem-1976	166	2	.	.	PUNCT
eurjchem-1976	167	1	cell	cell	PROPN
eurjchem-1976	167	2	longev	longev	NOUN
eurjchem-1976	167	3	.	.	PUNCT
eurjchem-1976	168	1	2018	2018	NUM
eurjchem-1976	168	2	,	,	PUNCT
eurjchem-1976	168	3	2018	2018	NUM
eurjchem-1976	168	4	,	,	PUNCT
eurjchem-1976	168	5	1	1	NUM
eurjchem-1976	168	6	-	-	SYM
eurjchem-1976	168	7	18	18	NUM
eurjchem-1976	168	8	.	.	PUNCT
eurjchem-1976	169	1	[	[	X
eurjchem-1976	169	2	14	14	NUM
eurjchem-1976	169	3	]	]	PUNCT
eurjchem-1976	169	4	.	.	PUNCT
eurjchem-1976	170	1	hernandez	hernandez	PROPN
eurjchem-1976	170	2	,	,	PUNCT
eurjchem-1976	170	3	n.	n.	PROPN
eurjchem-1976	170	4	;	;	PUNCT
eurjchem-1976	170	5	kiralj	kiralj	PROPN
eurjchem-1976	170	6	,	,	PUNCT
eurjchem-1976	170	7	r.	r.	PROPN
eurjchem-1976	170	8	;	;	PUNCT
eurjchem-1976	170	9	ferreira	ferreira	PROPN
eurjchem-1976	170	10	,	,	PUNCT
eurjchem-1976	170	11	m.	m.	NOUN
eurjchem-1976	170	12	m.	m.	NOUN
eurjchem-1976	170	13	;	;	PUNCT
eurjchem-1976	170	14	talavera	talavera	NOUN
eurjchem-1976	170	15	,	,	PUNCT
eurjchem-1976	170	16	i.	i.	NOUN
eurjchem-1976	170	17	chemometr	chemometr	PROPN
eurjchem-1976	170	18	.	.	PUNCT
eurjchem-1976	171	1	intell	intell	PROPN
eurjchem-1976	171	2	.	.	PUNCT
eurjchem-1976	172	1	lab	lab	PROPN
eurjchem-1976	172	2	.	.	PUNCT
eurjchem-1976	173	1	2009	2009	NUM
eurjchem-1976	173	2	,	,	PUNCT
eurjchem-1976	173	3	98(1	98(1	NOUN
eurjchem-1976	173	4	)	)	PUNCT
eurjchem-1976	173	5	,	,	PUNCT
eurjchem-1976	173	6	65	65	NUM
eurjchem-1976	173	7	-	-	SYM
eurjchem-1976	173	8	77	77	NUM
eurjchem-1976	173	9	.	.	PUNCT
eurjchem-1976	174	1	[	[	X
eurjchem-1976	174	2	15	15	NUM
eurjchem-1976	174	3	]	]	PUNCT
eurjchem-1976	174	4	.	.	PUNCT
eurjchem-1976	175	1	hasegawa	hasegawa	PROPN
eurjchem-1976	175	2	,	,	PUNCT
eurjchem-1976	175	3	k.	k.	PROPN
eurjchem-1976	175	4	;	;	PUNCT
eurjchem-1976	175	5	yokoo	yokoo	PROPN
eurjchem-1976	175	6	,	,	PUNCT
eurjchem-1976	175	7	n.	n.	NOUN
eurjchem-1976	175	8	;	;	PUNCT
eurjchem-1976	175	9	watanabe	watanabe	PROPN
eurjchem-1976	175	10	,	,	PUNCT
eurjchem-1976	175	11	k.	k.	PROPN
eurjchem-1976	175	12	;	;	PUNCT
eurjchem-1976	175	13	hirata	hirata	PROPN
eurjchem-1976	175	14	,	,	PUNCT
eurjchem-1976	175	15	m.	m.	NOUN
eurjchem-1976	175	16	;	;	PUNCT
eurjchem-1976	175	17	miyashita	miyashita	PROPN
eurjchem-1976	175	18	,	,	PUNCT
eurjchem-1976	175	19	y.	y.	PROPN
eurjchem-1976	175	20	;	;	PUNCT
eurjchem-1976	175	21	sasaki	sasaki	PROPN
eurjchem-1976	175	22	,	,	PUNCT
eurjchem-1976	175	23	s.	s.	PROPN
eurjchem-1976	175	24	chemometr	chemometr	PROPN
eurjchem-1976	175	25	.	.	PUNCT
eurjchem-1976	176	1	intell	intell	PROPN
eurjchem-1976	176	2	.	.	PUNCT
eurjchem-1976	177	1	lab	lab	PROPN
eurjchem-1976	177	2	.	.	PUNCT
eurjchem-1976	178	1	1996	1996	NUM
eurjchem-1976	178	2	,	,	PUNCT
eurjchem-1976	178	3	33	33	NUM
eurjchem-1976	178	4	,	,	PUNCT
eurjchem-1976	178	5	63	63	NUM
eurjchem-1976	178	6	-	-	SYM
eurjchem-1976	178	7	69	69	NUM
eurjchem-1976	178	8	.	.	PUNCT
eurjchem-1976	179	1	[	[	X
eurjchem-1976	179	2	16	16	NUM
eurjchem-1976	179	3	]	]	PUNCT
eurjchem-1976	179	4	.	.	PUNCT
eurjchem-1976	180	1	soni	soni	PROPN
eurjchem-1976	180	2	,	,	PUNCT
eurjchem-1976	180	3	h.	h.	PROPN
eurjchem-1976	180	4	m.	m.	PROPN
eurjchem-1976	180	5	;	;	PUNCT
eurjchem-1976	180	6	patel	patel	PROPN
eurjchem-1976	180	7	,	,	PUNCT
eurjchem-1976	180	8	p.	p.	PROPN
eurjchem-1976	180	9	k.	k.	PROPN
eurjchem-1976	180	10	;	;	PUNCT
eurjchem-1976	180	11	chhabria	chhabria	PROPN
eurjchem-1976	180	12	,	,	PUNCT
eurjchem-1976	180	13	m.	m.	NOUN
eurjchem-1976	180	14	t.	t.	PROPN
eurjchem-1976	180	15	;	;	PUNCT
eurjchem-1976	180	16	rana	rana	PROPN
eurjchem-1976	180	17	,	,	PUNCT
eurjchem-1976	180	18	d.	d.	PROPN
eurjchem-1976	180	19	n.	n.	PROPN
eurjchem-1976	180	20	;	;	PUNCT
eurjchem-1976	180	21	mahajan	mahajan	PROPN
eurjchem-1976	180	22	,	,	PUNCT
eurjchem-1976	180	23	b.	b.	PROPN
eurjchem-1976	180	24	m.	m.	PROPN
eurjchem-1976	180	25	;	;	PUNCT
eurjchem-1976	180	26	brahmkshatriya	brahmkshatriya	PROPN
eurjchem-1976	180	27	,	,	PUNCT
eurjchem-1976	180	28	p.	p.	PROPN
eurjchem-1976	180	29	s.	s.	PROPN
eurjchem-1976	180	30	comp	comp	PROPN
eurjchem-1976	180	31	.	.	PUNCT
eurjchem-1976	181	1	chem	chem	PROPN
eurjchem-1976	181	2	.	.	PUNCT
eurjchem-1976	182	1	2015	2015	NUM
eurjchem-1976	182	2	,	,	PUNCT
eurjchem-1976	182	3	3	3	NUM
eurjchem-1976	182	4	,	,	PUNCT
eurjchem-1976	182	5	45	45	NUM
eurjchem-1976	182	6	-	-	SYM
eurjchem-1976	182	7	53	53	NUM
eurjchem-1976	182	8	.	.	PUNCT
eurjchem-1976	183	1	[	[	X
eurjchem-1976	183	2	17	17	NUM
eurjchem-1976	183	3	]	]	PUNCT
eurjchem-1976	183	4	.	.	PUNCT
eurjchem-1976	184	1	duchowicz	duchowicz	PROPN
eurjchem-1976	184	2	,	,	PUNCT
eurjchem-1976	184	3	p.	p.	PROPN
eurjchem-1976	184	4	r.	r.	PROPN
eurjchem-1976	184	5	;	;	PUNCT
eurjchem-1976	184	6	fioressi	fioressi	PROPN
eurjchem-1976	184	7	,	,	PUNCT
eurjchem-1976	184	8	s.	s.	PROPN
eurjchem-1976	184	9	e.	e.	PROPN
eurjchem-1976	184	10	;	;	PUNCT
eurjchem-1976	184	11	castro	castro	PROPN
eurjchem-1976	184	12	,	,	PUNCT
eurjchem-1976	184	13	e.	e.	PROPN
eurjchem-1976	184	14	;	;	PUNCT
eurjchem-1976	184	15	wróbel	wróbel	PROPN
eurjchem-1976	184	16	,	,	PUNCT
eurjchem-1976	184	17	k.	k.	PROPN
eurjchem-1976	184	18	;	;	PUNCT
eurjchem-1976	184	19	ibezim	ibezim	NOUN
eurjchem-1976	184	20	,	,	PUNCT
eurjchem-1976	184	21	n.	n.	PROPN
eurjchem-1976	184	22	e.	e.	PROPN
eurjchem-1976	184	23	;	;	PUNCT
eurjchem-1976	184	24	bacelo	bacelo	PROPN
eurjchem-1976	184	25	,	,	PUNCT
eurjchem-1976	184	26	d.	d.	PROPN
eurjchem-1976	184	27	e.	e.	PROPN
eurjchem-1976	184	28	chemistryselect	chemistryselect	PROPN
eurjchem-1976	184	29	2017	2017	NUM
eurjchem-1976	184	30	,	,	PUNCT
eurjchem-1976	184	31	2(13	2(13	NUM
eurjchem-1976	184	32	)	)	PUNCT
eurjchem-1976	184	33	,	,	PUNCT
eurjchem-1976	184	34	3725	3725	NUM
eurjchem-1976	184	35	-	-	SYM
eurjchem-1976	184	36	3731	3731	NUM
eurjchem-1976	184	37	.	.	PUNCT
eurjchem-1976	185	1	[	[	X
eurjchem-1976	185	2	18	18	NUM
eurjchem-1976	185	3	]	]	PUNCT
eurjchem-1976	185	4	.	.	PUNCT
eurjchem-1976	186	1	roy	roy	PROPN
eurjchem-1976	186	2	,	,	PUNCT
eurjchem-1976	186	3	k.	k.	PROPN
eurjchem-1976	186	4	;	;	PUNCT
eurjchem-1976	186	5	kar	kar	PROPN
eurjchem-1976	186	6	,	,	PUNCT
eurjchem-1976	186	7	s.	s.	PROPN
eurjchem-1976	186	8	;	;	PUNCT
eurjchem-1976	186	9	das	das	PROPN
eurjchem-1976	186	10	,	,	PUNCT
eurjchem-1976	186	11	r.	r.	PROPN
eurjchem-1976	186	12	n.	n.	PROPN
eurjchem-1976	186	13	statistical	statistical	ADJ
eurjchem-1976	186	14	methods	method	NOUN
eurjchem-1976	186	15	in	in	ADP
eurjchem-1976	186	16	qsar	qsar	NOUN
eurjchem-1976	186	17	/	/	SYM
eurjchem-1976	186	18	qspr	qspr	NOUN
eurjchem-1976	186	19	.	.	PUNCT
eurjchem-1976	187	1	in	in	ADP
eurjchem-1976	187	2	a	a	DET
eurjchem-1976	187	3	primer	primer	NOUN
eurjchem-1976	187	4	on	on	ADP
eurjchem-1976	187	5	qsar	qsar	NOUN
eurjchem-1976	187	6	/	/	SYM
eurjchem-1976	187	7	qspr	qspr	NOUN
eurjchem-1976	187	8	modeling	modeling	NOUN
eurjchem-1976	187	9	,	,	PUNCT
eurjchem-1976	187	10	springer	springer	NOUN
eurjchem-1976	187	11	,	,	PUNCT
eurjchem-1976	187	12	cham	cham	NOUN
eurjchem-1976	187	13	,	,	PUNCT
eurjchem-1976	187	14	2015	2015	NUM
eurjchem-1976	187	15	.	.	PUNCT
eurjchem-1976	188	1	[	[	X
eurjchem-1976	188	2	19	19	NUM
eurjchem-1976	188	3	]	]	PUNCT
eurjchem-1976	188	4	.	.	PUNCT
eurjchem-1976	189	1	tong	tong	PROPN
eurjchem-1976	189	2	,	,	PUNCT
eurjchem-1976	189	3	w.	w.	PROPN
eurjchem-1976	189	4	;	;	PUNCT
eurjchem-1976	189	5	xie	xie	PROPN
eurjchem-1976	189	6	,	,	PUNCT
eurjchem-1976	189	7	q.	q.	PROPN
eurjchem-1976	189	8	;	;	PUNCT
eurjchem-1976	189	9	hong	hong	PROPN
eurjchem-1976	189	10	,	,	PUNCT
eurjchem-1976	189	11	h.	h.	PROPN
eurjchem-1976	189	12	;	;	PUNCT
eurjchem-1976	189	13	shi	shi	PROPN
eurjchem-1976	189	14	,	,	PUNCT
eurjchem-1976	189	15	l.	l.	PROPN
eurjchem-1976	189	16	;	;	PUNCT
eurjchem-1976	189	17	fang	fang	PROPN
eurjchem-1976	189	18	,	,	PUNCT
eurjchem-1976	189	19	h.	h.	PROPN
eurjchem-1976	189	20	;	;	PUNCT
eurjchem-1976	189	21	perkins	perkins	PROPN
eurjchem-1976	189	22	,	,	PUNCT
eurjchem-1976	189	23	r.	r.	PROPN
eurjchem-1976	189	24	environ	environ	PROPN
eurjchem-1976	189	25	.	.	PUNCT
eurjchem-1976	190	1	health	health	NOUN
eurjchem-1976	190	2	persp	persp	PROPN
eurjchem-1976	190	3	.	.	PUNCT
eurjchem-1976	191	1	2004	2004	NUM
eurjchem-1976	191	2	,	,	PUNCT
eurjchem-1976	191	3	112(12	112(12	NUM
eurjchem-1976	191	4	)	)	PUNCT
eurjchem-1976	191	5	,	,	PUNCT
eurjchem-1976	191	6	1249	1249	NUM
eurjchem-1976	191	7	-	-	SYM
eurjchem-1976	191	8	1254	1254	NUM
eurjchem-1976	191	9	.	.	PUNCT
eurjchem-1976	192	1	[	[	X
eurjchem-1976	192	2	20	20	NUM
eurjchem-1976	192	3	]	]	PUNCT
eurjchem-1976	192	4	.	.	PUNCT
eurjchem-1976	192	5	veerasamy	veerasamy	PROPN
eurjchem-1976	192	6	,	,	PUNCT
eurjchem-1976	192	7	r.	r.	PROPN
eurjchem-1976	192	8	;	;	PUNCT
eurjchem-1976	192	9	rajak	rajak	ADV
eurjchem-1976	192	10	,	,	PUNCT
eurjchem-1976	192	11	h.	h.	PROPN
eurjchem-1976	192	12	;	;	PUNCT
eurjchem-1976	192	13	jain	jain	PROPN
eurjchem-1976	192	14	,	,	PUNCT
eurjchem-1976	192	15	a.	a.	PROPN
eurjchem-1976	192	16	;	;	PUNCT
eurjchem-1976	192	17	sivadasan	sivadasan	PROPN
eurjchem-1976	192	18	,	,	PUNCT
eurjchem-1976	192	19	s.	s.	PROPN
eurjchem-1976	192	20	;	;	PUNCT
eurjchem-1976	192	21	varghese	varghese	PROPN
eurjchem-1976	192	22	,	,	PUNCT
eurjchem-1976	192	23	c.	c.	PROPN
eurjchem-1976	192	24	p.	p.	PROPN
eurjchem-1976	192	25	;	;	PUNCT
eurjchem-1976	192	26	agrawal	agrawal	PROPN
eurjchem-1976	192	27	,	,	PUNCT
eurjchem-1976	192	28	r.	r.	PROPN
eurjchem-1976	192	29	k.	k.	PROPN
eurjchem-1976	192	30	int	int	PROPN
eurjchem-1976	192	31	.	.	PUNCT
eurjchem-1976	193	1	j.	j.	PROPN
eurjchem-1976	193	2	drug	drug	PROPN
eurjchem-1976	193	3	des	des	PROPN
eurjchem-1976	193	4	.	.	PROPN
eurjchem-1976	193	5	discov	discov	PROPN
eurjchem-1976	193	6	.	.	PUNCT
eurjchem-1976	194	1	2011	2011	NUM
eurjchem-1976	194	2	,	,	PUNCT
eurjchem-1976	194	3	3	3	NUM
eurjchem-1976	194	4	,	,	PUNCT
eurjchem-1976	194	5	511	511	NUM
eurjchem-1976	194	6	-	-	SYM
eurjchem-1976	194	7	519	519	NUM
eurjchem-1976	194	8	.	.	PUNCT
eurjchem-1976	195	1	[	[	X
eurjchem-1976	195	2	21	21	NUM
eurjchem-1976	195	3	]	]	PUNCT
eurjchem-1976	195	4	.	.	PUNCT
eurjchem-1976	195	5	golbraikh	golbraikh	PROPN
eurjchem-1976	195	6	,	,	PUNCT
eurjchem-1976	195	7	a.	a.	NOUN
eurjchem-1976	195	8	;	;	PUNCT
eurjchem-1976	195	9	tropsha	tropsha	PROPN
eurjchem-1976	195	10	,	,	PUNCT
eurjchem-1976	195	11	a.	a.	PROPN
eurjchem-1976	195	12	acs	acs	PROPN
eurjchem-1976	195	13	sym	sym	PROPN
eurjchem-1976	195	14	.	.	PROPN
eurjchem-1976	195	15	ser	ser	PROPN
eurjchem-1976	195	16	.	.	PROPN
eurjchem-1976	195	17	2002	2002	NUM
eurjchem-1976	195	18	,	,	PUNCT
eurjchem-1976	195	19	16	16	NUM
eurjchem-1976	195	20	,	,	PUNCT
eurjchem-1976	195	21	357	357	NUM
eurjchem-1976	195	22	-	-	SYM
eurjchem-1976	195	23	396	396	NUM
eurjchem-1976	195	24	.	.	PUNCT
eurjchem-1976	196	1	[	[	X
eurjchem-1976	196	2	22	22	NUM
eurjchem-1976	196	3	]	]	PUNCT
eurjchem-1976	196	4	.	.	PUNCT
eurjchem-1976	197	1	ai	ai	VERB
eurjchem-1976	197	2	,	,	PUNCT
eurjchem-1976	197	3	t.	t.	PROPN
eurjchem-1976	197	4	;	;	PUNCT
eurjchem-1976	197	5	willett	willett	PROPN
eurjchem-1976	197	6	,	,	PUNCT
eurjchem-1976	197	7	r.	r.	PROPN
eurjchem-1976	197	8	;	;	PUNCT
eurjchem-1976	197	9	williams	williams	PROPN
eurjchem-1976	197	10	,	,	PUNCT
eurjchem-1976	197	11	j.	j.	PROPN
eurjchem-1976	197	12	;	;	PUNCT
eurjchem-1976	197	13	ding	ding	PROPN
eurjchem-1976	197	14	,	,	PUNCT
eurjchem-1976	197	15	r.	r.	PROPN
eurjchem-1976	197	16	;	;	PUNCT
eurjchem-1976	197	17	wilson	wilson	PROPN
eurjchem-1976	197	18	,	,	PUNCT
eurjchem-1976	197	19	d.	d.	PROPN
eurjchem-1976	197	20	j.	j.	PROPN
eurjchem-1976	197	21	;	;	PUNCT
eurjchem-1976	197	22	xie	xie	PROPN
eurjchem-1976	197	23	,	,	PUNCT
eurjchem-1976	197	24	j.	j.	PROPN
eurjchem-1976	197	25	;	;	PUNCT
eurjchem-1976	197	26	kim	kim	PROPN
eurjchem-1976	197	27	,	,	PUNCT
eurjchem-1976	197	28	d.	d.	PROPN
eurjchem-1976	197	29	h.	h.	PROPN
eurjchem-1976	197	30	;	;	PUNCT
eurjchem-1976	197	31	puertollano	puertollano	PROPN
eurjchem-1976	197	32	,	,	PUNCT
eurjchem-1976	197	33	r.	r.	PROPN
eurjchem-1976	197	34	;	;	PUNCT
eurjchem-1976	197	35	chen	chen	PROPN
eurjchem-1976	197	36	,	,	PUNCT
eurjchem-1976	197	37	l.	l.	PROPN
eurjchem-1976	197	38	acs	acs	PROPN
eurjchem-1976	197	39	med	med	PROPN
eurjchem-1976	197	40	.	.	PUNCT
eurjchem-1976	197	41	chem	chem	PROPN
eurjchem-1976	197	42	.	.	PUNCT
eurjchem-1976	198	1	lett	lett	PROPN
eurjchem-1976	198	2	2016	2016	NUM
eurjchem-1976	198	3	,	,	PUNCT
eurjchem-1976	198	4	8(1	8(1	NOUN
eurjchem-1976	198	5	)	)	PUNCT
eurjchem-1976	198	6	,	,	PUNCT
eurjchem-1976	198	7	90	90	NUM
eurjchem-1976	198	8	-	-	SYM
eurjchem-1976	198	9	95	95	NUM
eurjchem-1976	198	10	.	.	PUNCT
eurjchem-1976	199	1	[	[	X
eurjchem-1976	199	2	23	23	NUM
eurjchem-1976	199	3	]	]	PUNCT
eurjchem-1976	199	4	.	.	PUNCT
eurjchem-1976	200	1	mauri	mauri	PROPN
eurjchem-1976	200	2	,	,	PUNCT
eurjchem-1976	200	3	a.	a.	NOUN
eurjchem-1976	200	4	;	;	PUNCT
eurjchem-1976	200	5	consonni	consonni	PROPN
eurjchem-1976	200	6	,	,	PUNCT
eurjchem-1976	200	7	v.	v.	PROPN
eurjchem-1976	200	8	;	;	PUNCT
eurjchem-1976	200	9	pavan	pavan	PROPN
eurjchem-1976	200	10	,	,	PUNCT
eurjchem-1976	200	11	m.	m.	NOUN
eurjchem-1976	200	12	;	;	PUNCT
eurjchem-1976	200	13	todeschini	todeschini	PROPN
eurjchem-1976	200	14	,	,	PUNCT
eurjchem-1976	200	15	r.	r.	PROPN
eurjchem-1976	200	16	match	match	PROPN
eurjchem-1976	200	17	commun	commun	PROPN
eurjchem-1976	200	18	.	.	PUNCT
eurjchem-1976	200	19	math	math	PROPN
eurjchem-1976	200	20	.	.	PUNCT
eurjchem-1976	201	1	comput	comput	NOUN
eurjchem-1976	201	2	.	.	PUNCT
eurjchem-1976	202	1	chem	chem	NOUN
eurjchem-1976	202	2	.	.	PUNCT
eurjchem-1976	203	1	2006	2006	NUM
eurjchem-1976	203	2	,	,	PUNCT
eurjchem-1976	203	3	56(2	56(2	ADJ
eurjchem-1976	203	4	)	)	PUNCT
eurjchem-1976	203	5	,	,	PUNCT
eurjchem-1976	203	6	237	237	NUM
eurjchem-1976	203	7	-	-	SYM
eurjchem-1976	203	8	248	248	NUM
eurjchem-1976	203	9	.	.	PUNCT
eurjchem-1976	204	1	copyright	copyright	NOUN
eurjchem-1976	204	2	©	©	PROPN
eurjchem-1976	204	3	2020	2020	NUM
eurjchem-1976	204	4	by	by	ADP
eurjchem-1976	204	5	authors	author	NOUN
eurjchem-1976	204	6	.	.	PUNCT
eurjchem-1976	205	1	this	this	DET
eurjchem-1976	205	2	work	work	NOUN
eurjchem-1976	205	3	is	be	AUX
eurjchem-1976	205	4	published	publish	VERB
eurjchem-1976	205	5	and	and	CCONJ
eurjchem-1976	205	6	licensed	license	VERB
eurjchem-1976	205	7	by	by	ADP
eurjchem-1976	205	8	atlanta	atlanta	PROPN
eurjchem-1976	205	9	publishing	publishing	PROPN
eurjchem-1976	205	10	house	house	PROPN
eurjchem-1976	205	11	llc	llc	PROPN
eurjchem-1976	205	12	,	,	PUNCT
eurjchem-1976	205	13	atlanta	atlanta	PROPN
eurjchem-1976	205	14	,	,	PUNCT
eurjchem-1976	205	15	ga	ga	PROPN
eurjchem-1976	205	16	,	,	PUNCT
eurjchem-1976	205	17	usa	usa	PROPN
eurjchem-1976	205	18	.	.	PUNCT
eurjchem-1976	206	1	the	the	DET
eurjchem-1976	206	2	full	full	ADJ
eurjchem-1976	206	3	terms	term	NOUN
eurjchem-1976	206	4	of	of	ADP
eurjchem-1976	206	5	this	this	DET
eurjchem-1976	206	6	license	license	NOUN
eurjchem-1976	206	7	are	be	AUX
eurjchem-1976	206	8	available	available	ADJ
eurjchem-1976	206	9	at	at	ADP
eurjchem-1976	206	10	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-1976	206	11	and	and	CCONJ
eurjchem-1976	206	12	incorporate	incorporate	VERB
eurjchem-1976	206	13	the	the	DET
eurjchem-1976	206	14	creative	creative	ADJ
eurjchem-1976	206	15	commons	common	NOUN
eurjchem-1976	206	16	attribution	attribution	NOUN
eurjchem-1976	206	17	-	-	PUNCT
eurjchem-1976	206	18	non	non	ADJ
eurjchem-1976	206	19	commercial	commercial	NOUN
eurjchem-1976	206	20	(	(	PUNCT
eurjchem-1976	206	21	cc	cc	NOUN
eurjchem-1976	206	22	by	by	ADP
eurjchem-1976	206	23	nc	nc	PROPN
eurjchem-1976	206	24	)	)	PUNCT
eurjchem-1976	206	25	(	(	PUNCT
eurjchem-1976	206	26	international	international	ADJ
eurjchem-1976	206	27	,	,	PUNCT
eurjchem-1976	206	28	v4.0	v4.0	NOUN
eurjchem-1976	206	29	)	)	PUNCT
eurjchem-1976	206	30	license	license	NOUN
eurjchem-1976	206	31	(	(	PUNCT
eurjchem-1976	206	32	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	NOUN
eurjchem-1976	206	33	)	)	PUNCT
eurjchem-1976	206	34	.	.	PUNCT
eurjchem-1976	207	1	by	by	ADP
eurjchem-1976	207	2	accessing	access	VERB
eurjchem-1976	207	3	the	the	DET
eurjchem-1976	207	4	work	work	NOUN
eurjchem-1976	207	5	,	,	PUNCT
eurjchem-1976	207	6	you	you	PRON
eurjchem-1976	207	7	hereby	hereby	ADV
eurjchem-1976	207	8	accept	accept	VERB
eurjchem-1976	207	9	the	the	DET
eurjchem-1976	207	10	terms	term	NOUN
eurjchem-1976	207	11	.	.	PUNCT
eurjchem-1976	208	1	this	this	PRON
eurjchem-1976	208	2	is	be	AUX
eurjchem-1976	208	3	an	an	DET
eurjchem-1976	208	4	open	open	ADJ
eurjchem-1976	208	5	access	access	NOUN
eurjchem-1976	208	6	article	article	NOUN
eurjchem-1976	208	7	distributed	distribute	VERB
eurjchem-1976	208	8	under	under	ADP
eurjchem-1976	208	9	the	the	DET
eurjchem-1976	208	10	terms	term	NOUN
eurjchem-1976	208	11	and	and	CCONJ
eurjchem-1976	208	12	conditions	condition	NOUN
eurjchem-1976	208	13	of	of	ADP
eurjchem-1976	208	14	the	the	DET
eurjchem-1976	208	15	cc	cc	PROPN
eurjchem-1976	208	16	by	by	ADP
eurjchem-1976	208	17	nc	nc	PROPN
eurjchem-1976	208	18	license	license	PROPN
eurjchem-1976	208	19	,	,	PUNCT
eurjchem-1976	208	20	which	which	PRON
eurjchem-1976	208	21	permits	permit	VERB
eurjchem-1976	208	22	unrestricted	unrestricted	ADJ
eurjchem-1976	208	23	non	non	ADJ
eurjchem-1976	208	24	-	-	ADJ
eurjchem-1976	208	25	commercial	commercial	ADJ
eurjchem-1976	208	26	use	use	NOUN
eurjchem-1976	208	27	,	,	PUNCT
eurjchem-1976	208	28	distribution	distribution	NOUN
eurjchem-1976	208	29	,	,	PUNCT
eurjchem-1976	208	30	and	and	CCONJ
eurjchem-1976	208	31	reproduction	reproduction	NOUN
eurjchem-1976	208	32	in	in	ADP
eurjchem-1976	208	33	any	any	DET
eurjchem-1976	208	34	medium	medium	NOUN
eurjchem-1976	208	35	,	,	PUNCT
eurjchem-1976	208	36	provided	provide	VERB
eurjchem-1976	208	37	the	the	DET
eurjchem-1976	208	38	original	original	ADJ
eurjchem-1976	208	39	work	work	NOUN
eurjchem-1976	208	40	is	be	AUX
eurjchem-1976	208	41	properly	properly	ADV
eurjchem-1976	208	42	cited	cite	VERB
eurjchem-1976	208	43	without	without	ADP
eurjchem-1976	208	44	any	any	DET
eurjchem-1976	208	45	further	further	ADJ
eurjchem-1976	208	46	permission	permission	NOUN
eurjchem-1976	208	47	from	from	ADP
eurjchem-1976	208	48	atlanta	atlanta	PROPN
eurjchem-1976	208	49	publishing	publishing	PROPN
eurjchem-1976	208	50	house	house	PROPN
eurjchem-1976	208	51	llc	llc	PROPN
eurjchem-1976	208	52	(	(	PUNCT
eurjchem-1976	208	53	european	european	PROPN
eurjchem-1976	208	54	journal	journal	PROPN
eurjchem-1976	208	55	of	of	ADP
eurjchem-1976	208	56	chemistry	chemistry	NOUN
eurjchem-1976	208	57	)	)	PUNCT
eurjchem-1976	208	58	.	.	PUNCT
eurjchem-1976	209	1	no	no	DET
eurjchem-1976	209	2	use	use	NOUN
eurjchem-1976	209	3	,	,	PUNCT
eurjchem-1976	209	4	distribution	distribution	NOUN
eurjchem-1976	209	5	or	or	CCONJ
eurjchem-1976	209	6	reproduction	reproduction	NOUN
eurjchem-1976	209	7	is	be	AUX
eurjchem-1976	209	8	permitted	permit	VERB
eurjchem-1976	209	9	which	which	PRON
eurjchem-1976	209	10	does	do	AUX
eurjchem-1976	209	11	not	not	PART
eurjchem-1976	209	12	comply	comply	VERB
eurjchem-1976	209	13	with	with	ADP
eurjchem-1976	209	14	these	these	DET
eurjchem-1976	209	15	terms	term	NOUN
eurjchem-1976	209	16	.	.	PUNCT
eurjchem-1976	210	1	permissions	permission	NOUN
eurjchem-1976	210	2	for	for	ADP
eurjchem-1976	210	3	commercial	commercial	ADJ
eurjchem-1976	210	4	use	use	NOUN
eurjchem-1976	210	5	of	of	ADP
eurjchem-1976	210	6	this	this	DET
eurjchem-1976	210	7	work	work	NOUN
eurjchem-1976	210	8	beyond	beyond	ADP
eurjchem-1976	210	9	the	the	DET
eurjchem-1976	210	10	scope	scope	NOUN
eurjchem-1976	210	11	of	of	ADP
eurjchem-1976	210	12	the	the	DET
eurjchem-1976	210	13	license	license	NOUN
eurjchem-1976	210	14	(	(	PUNCT
eurjchem-1976	210	15	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-1976	210	16	)	)	PUNCT
eurjchem-1976	210	17	are	be	AUX
eurjchem-1976	210	18	administered	administer	VERB
eurjchem-1976	210	19	by	by	ADP
eurjchem-1976	210	20	atlanta	atlanta	PROPN
eurjchem-1976	210	21	publishing	publishing	PROPN
eurjchem-1976	210	22	house	house	PROPN
eurjchem-1976	210	23	llc	llc	PROPN
eurjchem-1976	210	24	(	(	PUNCT
eurjchem-1976	210	25	european	european	PROPN
eurjchem-1976	210	26	journal	journal	PROPN
eurjchem-1976	210	27	of	of	ADP
eurjchem-1976	210	28	chemistry	chemistry	NOUN
eurjchem-1976	210	29	)	)	PUNCT
eurjchem-1976	210	30	.	.	PUNCT
eurjchem-1976	211	1	http://orcid.org/0000-0002-1294-6130	http://orcid.org/0000-0002-1294-6130	ADP
eurjchem-1976	211	2	http://orcid.org/0000-0001-7588-0231	http://orcid.org/0000-0001-7588-0231	ADJ
eurjchem-1976	211	3	http://orcid.org/0000-0002-7317-8040	http://orcid.org/0000-0002-7317-8040	ADJ
eurjchem-1976	211	4	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-1976	211	5	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-1976	211	6	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-1976	211	7	1	1	NUM
eurjchem-1976	211	8	.	.	PUNCT
eurjchem-1976	212	1	introduction	introduction	NOUN
eurjchem-1976	212	2	2	2	NUM
eurjchem-1976	212	3	.	.	PUNCT
eurjchem-1976	212	4	experimental	experimental	ADJ
eurjchem-1976	212	5	2.1	2.1	NUM
eurjchem-1976	212	6	.	.	PUNCT
eurjchem-1976	213	1	qsar	qsar	PROPN
eurjchem-1976	213	2	studies	study	NOUN
eurjchem-1976	213	3	2.1.1	2.1.1	NUM
eurjchem-1976	213	4	.	.	PUNCT
eurjchem-1976	214	1	data	datum	NOUN
eurjchem-1976	214	2	set	set	VERB
eurjchem-1976	214	3	2.1.2	2.1.2	NUM
eurjchem-1976	214	4	.	.	PUNCT
eurjchem-1976	215	1	molecular	molecular	ADJ
eurjchem-1976	215	2	descriptors	descriptor	NOUN
eurjchem-1976	215	3	generation	generation	NOUN
eurjchem-1976	215	4	2.1.3	2.1.3	NUM
eurjchem-1976	215	5	.	.	PUNCT
eurjchem-1976	215	6	qsar	qsar	PROPN
eurjchem-1976	215	7	model	model	PROPN
eurjchem-1976	215	8	development	development	PROPN
eurjchem-1976	215	9	2.1.4	2.1.4	PROPN
eurjchem-1976	215	10	.	.	PUNCT
eurjchem-1976	216	1	validation	validation	NOUN
eurjchem-1976	216	2	of	of	ADP
eurjchem-1976	216	3	qsar	qsar	PROPN
eurjchem-1976	216	4	model	model	PROPN
eurjchem-1976	216	5	2.1.5	2.1.5	NUM
eurjchem-1976	216	6	.	.	PUNCT
eurjchem-1976	216	7	predict	predict	VERB
eurjchem-1976	216	8	the	the	DET
eurjchem-1976	216	9	activity	activity	NOUN
eurjchem-1976	216	10	of	of	ADP
eurjchem-1976	216	11	designed	design	VERB
eurjchem-1976	216	12	3,5	3,5	NUM
eurjchem-1976	216	13	-	-	PUNCT
eurjchem-1976	216	14	dimethyl-4	dimethyl-4	ADV
eurjchem-1976	216	15	-	-	PUNCT
eurjchem-1976	216	16	substituted	substitute	VERB
eurjchem-1976	216	17	-	-	PUNCT
eurjchem-1976	216	18	pyrazole	pyrazole	NOUN
eurjchem-1976	216	19	derivatives	derivative	NOUN
eurjchem-1976	216	20	2.2	2.2	NUM
eurjchem-1976	216	21	.	.	PUNCT
eurjchem-1976	217	1	molecular	molecular	ADJ
eurjchem-1976	217	2	docking	docking	NOUN
eurjchem-1976	217	3	3	3	NUM
eurjchem-1976	217	4	.	.	NOUN
eurjchem-1976	217	5	results	result	NOUN
eurjchem-1976	217	6	and	and	CCONJ
eurjchem-1976	217	7	discussion	discussion	NOUN
eurjchem-1976	217	8	3.1	3.1	NUM
eurjchem-1976	217	9	.	.	PUNCT
eurjchem-1976	217	10	qsar	qsar	PROPN
eurjchem-1976	217	11	studies	study	NOUN
eurjchem-1976	217	12	3.2	3.2	NUM
eurjchem-1976	217	13	.	.	PUNCT
eurjchem-1976	218	1	docking	dock	VERB
eurjchem-1976	218	2	study	study	NOUN
eurjchem-1976	218	3	4	4	NUM
eurjchem-1976	218	4	.	.	PUNCT
eurjchem-1976	218	5	conclusion	conclusion	NOUN
eurjchem-1976	218	6	disclosure	disclosure	NOUN
eurjchem-1976	218	7	statement	statement	NOUN
eurjchem-1976	218	8	orcid	orcid	PROPN
eurjchem-1976	218	9	references	reference	NOUN
eurjchem-1976	218	10	printfield10	printfield10	NOUN
eurjchem-1976	218	11	:	:	PUNCT
eurjchem-1976	218	12	printfield11	printfield11	NOUN
eurjchem-1976	218	13	:	:	PUNCT
eurjchem-1976	218	14	printfield12	printfield12	PROPN
eurjchem-1976	218	15	:	:	PUNCT
eurjchem-1976	218	16	printfield13	printfield13	VERB
eurjchem-1976	218	17	:	:	PUNCT
eurjchem-1976	218	18	printfield14	printfield14	NOUN
eurjchem-1976	218	19	:	:	PUNCT
eurjchem-1976	218	20	printfield15	printfield15	NOUN
eurjchem-1976	218	21	:	:	PUNCT
eurjchem-1976	218	22	printfield16	printfield16	ADJ
eurjchem-1976	218	23	:	:	PUNCT
eurjchem-1976	218	24	printfield20	printfield20	VERB
eurjchem-1976	218	25	:	:	PUNCT
eurjchem-1976	218	26	printfield21	printfield21	ADJ
eurjchem-1976	218	27	:	:	PUNCT
eurjchem-1976	218	28	printfield22	printfield22	NOUN
eurjchem-1976	218	29	:	:	PUNCT
eurjchem-1976	218	30	printfield23	printfield23	NOUN
eurjchem-1976	218	31	:	:	PUNCT
eurjchem-1976	218	32	printfield24	printfield24	NOUN
eurjchem-1976	218	33	:	:	PUNCT
eurjchem-1976	218	34	printfield25	printfield25	NOUN
eurjchem-1976	218	35	:	:	PUNCT
eurjchem-1976	218	36	printfield26	printfield26	ADJ
eurjchem-1976	218	37	:	:	PUNCT