id	sid	tid	token	lemma	pos
eurjchem-2259	1	1	qsar	qsar	NOUN
eurjchem-2259	1	2	and	and	CCONJ
eurjchem-2259	1	3	docking	dock	VERB
eurjchem-2259	1	4	studies	study	NOUN
eurjchem-2259	1	5	of	of	ADP
eurjchem-2259	1	6	pyrazole	pyrazole	NOUN
eurjchem-2259	1	7	analogs	analog	NOUN
eurjchem-2259	1	8	as	as	ADP
eurjchem-2259	1	9	antiproliferative	antiproliferative	NOUN
eurjchem-2259	1	10	against	against	ADP
eurjchem-2259	1	11	human	human	ADJ
eurjchem-2259	1	12	colorectal	colorectal	ADJ
eurjchem-2259	1	13	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2259	1	14	cell	cell	NOUN
eurjchem-2259	1	15	line	line	NOUN
eurjchem-2259	1	16	ht-29	ht-29	PUNCT
eurjchem-2259	1	17	european	european	ADJ
eurjchem-2259	1	18	journal	journal	NOUN
eurjchem-2259	1	19	of	of	ADP
eurjchem-2259	1	20	chemistry	chemistry	NOUN
eurjchem-2259	1	21	13	13	NUM
eurjchem-2259	1	22	(	(	PUNCT
eurjchem-2259	1	23	3	3	NUM
eurjchem-2259	1	24	)	)	PUNCT
eurjchem-2259	1	25	(	(	PUNCT
eurjchem-2259	1	26	2022	2022	NUM
eurjchem-2259	1	27	)	)	PUNCT
eurjchem-2259	1	28	319	319	NUM
eurjchem-2259	1	29	-	-	SYM
eurjchem-2259	1	30	326	326	NUM
eurjchem-2259	1	31	european	european	ADJ
eurjchem-2259	1	32	journal	journal	NOUN
eurjchem-2259	1	33	of	of	ADP
eurjchem-2259	1	34	chemistry	chemistry	NOUN
eurjchem-2259	1	35	issn	issn	VERB
eurjchem-2259	1	36	2153	2153	NUM
eurjchem-2259	1	37	-	-	SYM
eurjchem-2259	1	38	2249	2249	NUM
eurjchem-2259	1	39	(	(	PUNCT
eurjchem-2259	1	40	print	print	NOUN
eurjchem-2259	1	41	)	)	PUNCT
eurjchem-2259	1	42	/	/	PUNCT
eurjchem-2259	1	43	issn	issn	PROPN
eurjchem-2259	1	44	2153	2153	NUM
eurjchem-2259	1	45	-	-	SYM
eurjchem-2259	1	46	2257	2257	NUM
eurjchem-2259	1	47	(	(	PUNCT
eurjchem-2259	1	48	online	online	ADJ
eurjchem-2259	1	49	)	)	PUNCT
eurjchem-2259	1	50	–	–	PUNCT
eurjchem-2259	1	51	copyright	copyright	NOUN
eurjchem-2259	1	52	©	©	PROPN
eurjchem-2259	1	53	2022	2022	NUM
eurjchem-2259	1	54	the	the	DET
eurjchem-2259	1	55	authors	author	NOUN
eurjchem-2259	1	56	–	–	PUNCT
eurjchem-2259	1	57	atlanta	atlanta	PROPN
eurjchem-2259	1	58	publishing	publishing	PROPN
eurjchem-2259	1	59	house	house	PROPN
eurjchem-2259	1	60	llc	llc	PROPN
eurjchem-2259	1	61	–	–	PUNCT
eurjchem-2259	1	62	printed	print	VERB
eurjchem-2259	1	63	in	in	ADP
eurjchem-2259	1	64	the	the	DET
eurjchem-2259	1	65	usa	usa	PROPN
eurjchem-2259	1	66	.	.	PUNCT
eurjchem-2259	2	1	this	this	DET
eurjchem-2259	2	2	work	work	NOUN
eurjchem-2259	2	3	is	be	AUX
eurjchem-2259	2	4	published	publish	VERB
eurjchem-2259	2	5	and	and	CCONJ
eurjchem-2259	2	6	licensed	license	VERB
eurjchem-2259	2	7	by	by	ADP
eurjchem-2259	2	8	atlanta	atlanta	PROPN
eurjchem-2259	2	9	publishing	publishing	PROPN
eurjchem-2259	2	10	house	house	PROPN
eurjchem-2259	2	11	llc	llc	PROPN
eurjchem-2259	2	12	–	–	PUNCT
eurjchem-2259	2	13	cc	cc	PROPN
eurjchem-2259	2	14	by	by	ADP
eurjchem-2259	2	15	nc	nc	PROPN
eurjchem-2259	2	16	–	–	PUNCT
eurjchem-2259	2	17	some	some	DET
eurjchem-2259	2	18	rights	right	NOUN
eurjchem-2259	2	19	reserved	reserve	VERB
eurjchem-2259	2	20	.	.	PUNCT
eurjchem-2259	3	1	https://dx.doi.org/10.5155/eurjchem.13.3.319-326.2259	https://dx.doi.org/10.5155/eurjchem.13.3.319-326.2259	ADJ
eurjchem-2259	3	2	european	european	PROPN
eurjchem-2259	3	3	journal	journal	PROPN
eurjchem-2259	3	4	of	of	ADP
eurjchem-2259	3	5	chemistry	chemistry	NOUN
eurjchem-2259	3	6	view	view	NOUN
eurjchem-2259	3	7	journal	journal	PROPN
eurjchem-2259	3	8	online	online	PROPN
eurjchem-2259	3	9	view	view	NOUN
eurjchem-2259	3	10	article	article	NOUN
eurjchem-2259	3	11	online	online	PROPN
eurjchem-2259	3	12	qsar	qsar	PROPN
eurjchem-2259	3	13	and	and	CCONJ
eurjchem-2259	3	14	docking	dock	VERB
eurjchem-2259	3	15	studies	study	NOUN
eurjchem-2259	3	16	of	of	ADP
eurjchem-2259	3	17	pyrazole	pyrazole	NOUN
eurjchem-2259	3	18	analogs	analog	NOUN
eurjchem-2259	3	19	as	as	ADP
eurjchem-2259	3	20	antiproliferative	antiproliferative	NOUN
eurjchem-2259	3	21	against	against	ADP
eurjchem-2259	3	22	human	human	ADJ
eurjchem-2259	3	23	colorectal	colorectal	ADJ
eurjchem-2259	3	24	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2259	3	25	cell	cell	NOUN
eurjchem-2259	3	26	line	line	NOUN
eurjchem-2259	3	27	ht-29	ht-29	PUNCT
eurjchem-2259	3	28	hiba	hiba	PROPN
eurjchem-2259	3	29	hashim	hashim	PROPN
eurjchem-2259	3	30	mahgoub	mahgoub	PROPN
eurjchem-2259	3	31	mohamed	mohamed	PROPN
eurjchem-2259	3	32	1,2	1,2	NUM
eurjchem-2259	3	33	,	,	PUNCT
eurjchem-2259	3	34	*	*	SYM
eurjchem-2259	3	35	,	,	PUNCT
eurjchem-2259	3	36	amna	amna	PROPN
eurjchem-2259	3	37	bint	bint	PROPN
eurjchem-2259	3	38	wahab	wahab	PROPN
eurjchem-2259	3	39	elrashid	elrashid	PROPN
eurjchem-2259	3	40	mohammed	mohammed	PROPN
eurjchem-2259	3	41	hussien	hussien	PROPN
eurjchem-2259	3	42	3	3	NUM
eurjchem-2259	3	43	and	and	CCONJ
eurjchem-2259	3	44	ahmed	ahmed	PROPN
eurjchem-2259	3	45	elsadig	elsadig	PROPN
eurjchem-2259	3	46	mohammed	mohammed	PROPN
eurjchem-2259	3	47	saeed	saeed	PROPN
eurjchem-2259	3	48	1	1	NUM
eurjchem-2259	3	49	1	1	NUM
eurjchem-2259	3	50	department	department	NOUN
eurjchem-2259	3	51	of	of	ADP
eurjchem-2259	3	52	chemistry	chemistry	NOUN
eurjchem-2259	3	53	,	,	PUNCT
eurjchem-2259	3	54	college	college	NOUN
eurjchem-2259	3	55	of	of	ADP
eurjchem-2259	3	56	science	science	PROPN
eurjchem-2259	3	57	,	,	PUNCT
eurjchem-2259	3	58	sudan	sudan	PROPN
eurjchem-2259	3	59	university	university	PROPN
eurjchem-2259	3	60	of	of	ADP
eurjchem-2259	3	61	science	science	NOUN
eurjchem-2259	3	62	and	and	CCONJ
eurjchem-2259	3	63	technology	technology	NOUN
eurjchem-2259	3	64	,	,	PUNCT
eurjchem-2259	3	65	khartoum	khartoum	PROPN
eurjchem-2259	3	66	,	,	PUNCT
eurjchem-2259	3	67	2288	2288	NUM
eurjchem-2259	3	68	,	,	PUNCT
eurjchem-2259	3	69	sudan	sudan	PROPN
eurjchem-2259	3	70	2	2	NUM
eurjchem-2259	3	71	department	department	NOUN
eurjchem-2259	3	72	of	of	ADP
eurjchem-2259	3	73	chemistry	chemistry	NOUN
eurjchem-2259	3	74	,	,	PUNCT
eurjchem-2259	3	75	ibn	ibn	PROPN
eurjchem-2259	3	76	sina	sina	PROPN
eurjchem-2259	3	77	university	university	PROPN
eurjchem-2259	3	78	,	,	PUNCT
eurjchem-2259	3	79	khartoum	khartoum	PROPN
eurjchem-2259	3	80	,	,	PUNCT
eurjchem-2259	3	81	10995	10995	NUM
eurjchem-2259	3	82	,	,	PUNCT
eurjchem-2259	3	83	sudan	sudan	PROPN
eurjchem-2259	3	84	3	3	NUM
eurjchem-2259	3	85	college	college	NOUN
eurjchem-2259	3	86	of	of	ADP
eurjchem-2259	3	87	animal	animal	NOUN
eurjchem-2259	3	88	production	production	NOUN
eurjchem-2259	3	89	science	science	NOUN
eurjchem-2259	3	90	and	and	CCONJ
eurjchem-2259	3	91	technology	technology	NOUN
eurjchem-2259	3	92	,	,	PUNCT
eurjchem-2259	3	93	sudan	sudan	PROPN
eurjchem-2259	3	94	university	university	PROPN
eurjchem-2259	3	95	of	of	ADP
eurjchem-2259	3	96	science	science	NOUN
eurjchem-2259	3	97	and	and	CCONJ
eurjchem-2259	3	98	technology	technology	NOUN
eurjchem-2259	3	99	,	,	PUNCT
eurjchem-2259	3	100	khartoum	khartoum	PROPN
eurjchem-2259	3	101	,	,	PUNCT
eurjchem-2259	3	102	2288	2288	NUM
eurjchem-2259	3	103	,	,	PUNCT
eurjchem-2259	3	104	sudan	sudan	PROPN
eurjchem-2259	3	105	*	*	PUNCT
eurjchem-2259	3	106	corresponding	correspond	VERB
eurjchem-2259	3	107	author	author	NOUN
eurjchem-2259	3	108	at	at	ADP
eurjchem-2259	3	109	:	:	PUNCT
eurjchem-2259	3	110	department	department	NOUN
eurjchem-2259	3	111	of	of	ADP
eurjchem-2259	3	112	chemistry	chemistry	NOUN
eurjchem-2259	3	113	,	,	PUNCT
eurjchem-2259	3	114	college	college	NOUN
eurjchem-2259	3	115	of	of	ADP
eurjchem-2259	3	116	science	science	PROPN
eurjchem-2259	3	117	,	,	PUNCT
eurjchem-2259	3	118	sudan	sudan	PROPN
eurjchem-2259	3	119	university	university	PROPN
eurjchem-2259	3	120	of	of	ADP
eurjchem-2259	3	121	science	science	NOUN
eurjchem-2259	3	122	and	and	CCONJ
eurjchem-2259	3	123	technology	technology	NOUN
eurjchem-2259	3	124	,	,	PUNCT
eurjchem-2259	3	125	khartoum	khartoum	PROPN
eurjchem-2259	3	126	,	,	PUNCT
eurjchem-2259	3	127	2288	2288	NUM
eurjchem-2259	3	128	,	,	PUNCT
eurjchem-2259	3	129	sudan	sudan	PROPN
eurjchem-2259	3	130	.	.	PUNCT
eurjchem-2259	4	1	e	e	X
eurjchem-2259	4	2	-	-	NOUN
eurjchem-2259	4	3	mail	mail	NOUN
eurjchem-2259	4	4	:	:	PUNCT
eurjchem-2259	4	5	hibahashim.m@hotmail.com	hibahashim.m@hotmail.com	PROPN
eurjchem-2259	4	6	(	(	PUNCT
eurjchem-2259	4	7	h.h.m	h.h.m	PROPN
eurjchem-2259	4	8	.	.	PROPN
eurjchem-2259	4	9	mohamed	mohamed	PROPN
eurjchem-2259	4	10	)	)	PUNCT
eurjchem-2259	4	11	.	.	PUNCT
eurjchem-2259	5	1	10.5155	10.5155	NUM
eurjchem-2259	5	2	/	/	SYM
eurjchem-2259	5	3	eurjchem.13.3.319	eurjchem.13.3.319	NOUN
eurjchem-2259	5	4	-	-	PUNCT
eurjchem-2259	5	5	326.2259	326.2259	NUM
eurjchem-2259	5	6	received	receive	VERB
eurjchem-2259	5	7	:	:	PUNCT
eurjchem-2259	5	8	10	10	NUM
eurjchem-2259	5	9	march	march	NOUN
eurjchem-2259	5	10	2022	2022	NUM
eurjchem-2259	5	11	received	receive	VERB
eurjchem-2259	5	12	in	in	ADP
eurjchem-2259	5	13	revised	revise	VERB
eurjchem-2259	5	14	form	form	NOUN
eurjchem-2259	5	15	:	:	PUNCT
eurjchem-2259	5	16	21	21	NUM
eurjchem-2259	5	17	april	april	PROPN
eurjchem-2259	5	18	2022	2022	NUM
eurjchem-2259	5	19	accepted	accept	VERB
eurjchem-2259	5	20	:	:	PUNCT
eurjchem-2259	5	21	01	01	NUM
eurjchem-2259	5	22	july	july	PROPN
eurjchem-2259	5	23	2022	2022	NUM
eurjchem-2259	5	24	published	publish	VERB
eurjchem-2259	5	25	online	online	ADV
eurjchem-2259	5	26	:	:	PUNCT
eurjchem-2259	5	27	30	30	NUM
eurjchem-2259	5	28	september	september	PROPN
eurjchem-2259	5	29	2022	2022	NUM
eurjchem-2259	5	30	printed	print	VERB
eurjchem-2259	5	31	:	:	PUNCT
eurjchem-2259	5	32	30	30	NUM
eurjchem-2259	5	33	september	september	PROPN
eurjchem-2259	5	34	2022	2022	NUM
eurjchem-2259	5	35	in	in	ADP
eurjchem-2259	5	36	-	-	PUNCT
eurjchem-2259	5	37	silico	silico	NOUN
eurjchem-2259	5	38	quantitative	quantitative	ADJ
eurjchem-2259	5	39	structure	structure	NOUN
eurjchem-2259	5	40	-	-	PUNCT
eurjchem-2259	5	41	activity	activity	NOUN
eurjchem-2259	5	42	relationship	relationship	NOUN
eurjchem-2259	5	43	(	(	PUNCT
eurjchem-2259	5	44	qsar	qsar	NOUN
eurjchem-2259	5	45	)	)	PUNCT
eurjchem-2259	5	46	study	study	NOUN
eurjchem-2259	5	47	was	be	AUX
eurjchem-2259	5	48	performed	perform	VERB
eurjchem-2259	5	49	to	to	PART
eurjchem-2259	5	50	develop	develop	VERB
eurjchem-2259	5	51	a	a	DET
eurjchem-2259	5	52	model	model	NOUN
eurjchem-2259	5	53	on	on	ADP
eurjchem-2259	5	54	a	a	DET
eurjchem-2259	5	55	series	series	NOUN
eurjchem-2259	5	56	of	of	ADP
eurjchem-2259	5	57	novel	novel	ADJ
eurjchem-2259	5	58	pyrazole	pyrazole	NOUN
eurjchem-2259	5	59	derivatives	derivative	NOUN
eurjchem-2259	5	60	containing	contain	VERB
eurjchem-2259	5	61	acetamide	acetamide	NOUN
eurjchem-2259	5	62	moiety	moiety	NOUN
eurjchem-2259	5	63	which	which	PRON
eurjchem-2259	5	64	exhibited	exhibit	VERB
eurjchem-2259	5	65	considerable	considerable	ADJ
eurjchem-2259	5	66	antiproliferative	antiproliferative	ADJ
eurjchem-2259	5	67	activity	activity	NOUN
eurjchem-2259	5	68	against	against	ADP
eurjchem-2259	5	69	human	human	ADJ
eurjchem-2259	5	70	colorectal	colorectal	ADJ
eurjchem-2259	5	71	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2259	5	72	cell	cell	NOUN
eurjchem-2259	5	73	line	line	NOUN
eurjchem-2259	5	74	ht-29	ht-29	X
eurjchem-2259	5	75	.	.	PUNCT
eurjchem-2259	6	1	the	the	DET
eurjchem-2259	6	2	model	model	NOUN
eurjchem-2259	6	3	obtained	obtain	VERB
eurjchem-2259	6	4	has	have	VERB
eurjchem-2259	6	5	a	a	DET
eurjchem-2259	6	6	correlation	correlation	NOUN
eurjchem-2259	6	7	coefficient	coefficient	NOUN
eurjchem-2259	6	8	(	(	PUNCT
eurjchem-2259	6	9	r	r	NOUN
eurjchem-2259	6	10	)	)	PUNCT
eurjchem-2259	6	11	of	of	ADP
eurjchem-2259	6	12	0.9693	0.9693	NUM
eurjchem-2259	6	13	,	,	PUNCT
eurjchem-2259	6	14	squared	square	VERB
eurjchem-2259	6	15	correlation	correlation	NOUN
eurjchem-2259	6	16	coefficient	coefficient	NOUN
eurjchem-2259	6	17	(	(	PUNCT
eurjchem-2259	6	18	r2	r2	PROPN
eurjchem-2259	6	19	)	)	PUNCT
eurjchem-2259	6	20	of	of	ADP
eurjchem-2259	6	21	0.9395	0.9395	NUM
eurjchem-2259	6	22	and	and	CCONJ
eurjchem-2259	6	23	a	a	DET
eurjchem-2259	6	24	leave	leave	VERB
eurjchem-2259	6	25	-	-	PUNCT
eurjchem-2259	6	26	one	one	NUM
eurjchem-2259	6	27	-	-	PUNCT
eurjchem-2259	6	28	out	out	NOUN
eurjchem-2259	6	29	(	(	PUNCT
eurjchem-2259	6	30	loo	loo	NOUN
eurjchem-2259	6	31	)	)	PUNCT
eurjchem-2259	6	32	cross	cross	ADJ
eurjchem-2259	6	33	-	-	ADJ
eurjchem-2259	6	34	validation	validation	ADJ
eurjchem-2259	6	35	coefficient	coefficient	NOUN
eurjchem-2259	6	36	(	(	PUNCT
eurjchem-2259	6	37	q2	q2	NOUN
eurjchem-2259	6	38	)	)	PUNCT
eurjchem-2259	6	39	value	value	NOUN
eurjchem-2259	6	40	of	of	ADP
eurjchem-2259	6	41	0.8744	0.8744	NUM
eurjchem-2259	6	42	.	.	PUNCT
eurjchem-2259	7	1	the	the	DET
eurjchem-2259	7	2	predictive	predictive	ADJ
eurjchem-2259	7	3	power	power	NOUN
eurjchem-2259	7	4	of	of	ADP
eurjchem-2259	7	5	the	the	DET
eurjchem-2259	7	6	developed	develop	VERB
eurjchem-2259	7	7	model	model	NOUN
eurjchem-2259	7	8	was	be	AUX
eurjchem-2259	7	9	confirmed	confirm	VERB
eurjchem-2259	7	10	by	by	ADP
eurjchem-2259	7	11	the	the	DET
eurjchem-2259	7	12	external	external	ADJ
eurjchem-2259	7	13	validation	validation	NOUN
eurjchem-2259	7	14	which	which	PRON
eurjchem-2259	7	15	has	have	VERB
eurjchem-2259	7	16	an	an	DET
eurjchem-2259	7	17	r2	r2	NOUN
eurjchem-2259	7	18	value	value	NOUN
eurjchem-2259	7	19	of	of	ADP
eurjchem-2259	7	20	0.9488	0.9488	NUM
eurjchem-2259	7	21	.	.	PUNCT
eurjchem-2259	8	1	these	these	DET
eurjchem-2259	8	2	parameters	parameter	NOUN
eurjchem-2259	8	3	confirm	confirm	VERB
eurjchem-2259	8	4	the	the	DET
eurjchem-2259	8	5	stability	stability	NOUN
eurjchem-2259	8	6	and	and	CCONJ
eurjchem-2259	8	7	robustness	robustness	NOUN
eurjchem-2259	8	8	of	of	ADP
eurjchem-2259	8	9	the	the	DET
eurjchem-2259	8	10	model	model	NOUN
eurjchem-2259	8	11	to	to	PART
eurjchem-2259	8	12	predict	predict	VERB
eurjchem-2259	8	13	the	the	DET
eurjchem-2259	8	14	activity	activity	NOUN
eurjchem-2259	8	15	of	of	ADP
eurjchem-2259	8	16	a	a	DET
eurjchem-2259	8	17	new	new	ADJ
eurjchem-2259	8	18	designed	design	VERB
eurjchem-2259	8	19	set	set	NOUN
eurjchem-2259	8	20	of	of	ADP
eurjchem-2259	8	21	3,5	3,5	NUM
eurjchem-2259	8	22	-	-	PUNCT
eurjchem-2259	8	23	dimethylpyrazole	dimethylpyrazole	ADJ
eurjchem-2259	8	24	derivatives	derivative	NOUN
eurjchem-2259	8	25	(	(	PUNCT
eurjchem-2259	8	26	22	22	NUM
eurjchem-2259	8	27	-	-	SYM
eurjchem-2259	8	28	36	36	NUM
eurjchem-2259	8	29	)	)	PUNCT
eurjchem-2259	8	30	,	,	PUNCT
eurjchem-2259	8	31	results	result	NOUN
eurjchem-2259	8	32	indicated	indicate	VERB
eurjchem-2259	8	33	that	that	SCONJ
eurjchem-2259	8	34	the	the	DET
eurjchem-2259	8	35	compounds	compound	NOUN
eurjchem-2259	8	36	26	26	NUM
eurjchem-2259	8	37	,	,	PUNCT
eurjchem-2259	8	38	31	31	NUM
eurjchem-2259	8	39	,	,	PUNCT
eurjchem-2259	8	40	35	35	NUM
eurjchem-2259	8	41	,	,	PUNCT
eurjchem-2259	8	42	and	and	CCONJ
eurjchem-2259	8	43	36	36	NUM
eurjchem-2259	8	44	showed	show	VERB
eurjchem-2259	8	45	the	the	DET
eurjchem-2259	8	46	strongest	strong	ADJ
eurjchem-2259	8	47	antiproliferative	antiproliferative	ADJ
eurjchem-2259	8	48	activity	activity	NOUN
eurjchem-2259	8	49	with	with	ADP
eurjchem-2259	8	50	(	(	PUNCT
eurjchem-2259	8	51	ic50	ic50	PROPN
eurjchem-2259	8	52	=	=	SYM
eurjchem-2259	8	53	0.182	0.182	NUM
eurjchem-2259	8	54	,	,	PUNCT
eurjchem-2259	8	55	0.172	0.172	NUM
eurjchem-2259	8	56	,	,	PUNCT
eurjchem-2259	8	57	0.166	0.166	NUM
eurjchem-2259	8	58	and	and	CCONJ
eurjchem-2259	8	59	0.024	0.024	NUM
eurjchem-2259	8	60	μm	μm	NUM
eurjchem-2259	8	61	,	,	PUNCT
eurjchem-2259	8	62	respectively	respectively	ADV
eurjchem-2259	8	63	)	)	PUNCT
eurjchem-2259	8	64	against	against	ADP
eurjchem-2259	8	65	human	human	ADJ
eurjchem-2259	8	66	colorectal	colorectal	ADJ
eurjchem-2259	8	67	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2259	8	68	cell	cell	NOUN
eurjchem-2259	8	69	line	line	NOUN
eurjchem-2259	8	70	ht-29	ht-29	PUNCT
eurjchem-2259	8	71	compared	compare	VERB
eurjchem-2259	8	72	to	to	ADP
eurjchem-2259	8	73	the	the	DET
eurjchem-2259	8	74	reference	reference	NOUN
eurjchem-2259	8	75	vemurafenib	vemurafenib	VERB
eurjchem-2259	8	76	with	with	ADP
eurjchem-2259	8	77	(	(	PUNCT
eurjchem-2259	8	78	ic50	ic50	PROPN
eurjchem-2259	8	79	=	=	PROPN
eurjchem-2259	8	80	1.52	1.52	NUM
eurjchem-2259	8	81	μm	μm	NUM
eurjchem-2259	8	82	)	)	PUNCT
eurjchem-2259	8	83	.	.	PUNCT
eurjchem-2259	9	1	molecular	molecular	ADJ
eurjchem-2259	9	2	docking	docking	NOUN
eurjchem-2259	9	3	was	be	AUX
eurjchem-2259	9	4	performed	perform	VERB
eurjchem-2259	9	5	on	on	ADP
eurjchem-2259	9	6	the	the	DET
eurjchem-2259	9	7	new	new	ADJ
eurjchem-2259	9	8	designed	design	VERB
eurjchem-2259	9	9	compounds	compound	NOUN
eurjchem-2259	9	10	with	with	ADP
eurjchem-2259	9	11	the	the	DET
eurjchem-2259	9	12	human	human	ADJ
eurjchem-2259	9	13	colorectal	colorectal	ADJ
eurjchem-2259	9	14	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2259	9	15	cell	cell	NOUN
eurjchem-2259	9	16	line	line	NOUN
eurjchem-2259	9	17	5jrq	5jrq	NUM
eurjchem-2259	9	18	protein	protein	NOUN
eurjchem-2259	9	19	.	.	PUNCT
eurjchem-2259	10	1	the	the	DET
eurjchem-2259	10	2	docking	docking	NOUN
eurjchem-2259	10	3	results	result	NOUN
eurjchem-2259	10	4	showed	show	VERB
eurjchem-2259	10	5	that	that	SCONJ
eurjchem-2259	10	6	compounds	compound	VERB
eurjchem-2259	10	7	26	26	NUM
eurjchem-2259	10	8	,	,	PUNCT
eurjchem-2259	10	9	31	31	NUM
eurjchem-2259	10	10	,	,	PUNCT
eurjchem-2259	10	11	35	35	NUM
eurjchem-2259	10	12	,	,	PUNCT
eurjchem-2259	10	13	and	and	CCONJ
eurjchem-2259	10	14	36	36	NUM
eurjchem-2259	10	15	have	have	AUX
eurjchem-2259	10	16	docking	dock	VERB
eurjchem-2259	10	17	affinity	affinity	NOUN
eurjchem-2259	10	18	of	of	ADP
eurjchem-2259	10	19	-8.528	-8.528	NUM
eurjchem-2259	10	20	,	,	PUNCT
eurjchem-2259	10	21	5.932	5.932	NUM
eurjchem-2259	10	22	,	,	PUNCT
eurjchem-2259	10	23	23.017	23.017	NUM
eurjchem-2259	10	24	and	and	CCONJ
eurjchem-2259	10	25	18.432	18.432	NUM
eurjchem-2259	10	26	kcal	kcal	NOUN
eurjchem-2259	10	27	/	/	SYM
eurjchem-2259	10	28	mol	mol	PROPN
eurjchem-2259	10	29	,	,	PUNCT
eurjchem-2259	10	30	respectively	respectively	ADV
eurjchem-2259	10	31	.	.	PUNCT
eurjchem-2259	11	1	qsar	qsar	PROPN
eurjchem-2259	11	2	ht-29	ht-29	PUNCT
eurjchem-2259	11	3	pyrazole	pyrazole	NOUN
eurjchem-2259	11	4	molecular	molecular	ADJ
eurjchem-2259	11	5	modeling	model	VERB
eurjchem-2259	11	6	antiproliferative	antiproliferative	ADJ
eurjchem-2259	11	7	activity	activity	NOUN
eurjchem-2259	11	8	colorectal	colorectal	ADJ
eurjchem-2259	11	9	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2259	11	10	cite	cite	VERB
eurjchem-2259	11	11	this	this	PRON
eurjchem-2259	11	12	:	:	PUNCT
eurjchem-2259	11	13	eur	eur	PROPN
eurjchem-2259	11	14	.	.	PUNCT
eurjchem-2259	12	1	j.	j.	PROPN
eurjchem-2259	12	2	chem	chem	PROPN
eurjchem-2259	12	3	.	.	PUNCT
eurjchem-2259	13	1	2022	2022	NUM
eurjchem-2259	13	2	,	,	PUNCT
eurjchem-2259	13	3	13(3	13(3	NUM
eurjchem-2259	13	4	)	)	PUNCT
eurjchem-2259	13	5	,	,	PUNCT
eurjchem-2259	13	6	319	319	NUM
eurjchem-2259	13	7	-	-	SYM
eurjchem-2259	13	8	326	326	NUM
eurjchem-2259	13	9	journal	journal	NOUN
eurjchem-2259	13	10	website	website	NOUN
eurjchem-2259	13	11	:	:	PUNCT
eurjchem-2259	13	12	www.eurjchem.com	www.eurjchem.com	X
eurjchem-2259	13	13	1	1	X
eurjchem-2259	13	14	.	.	PUNCT
eurjchem-2259	13	15	introduction	introduction	NOUN
eurjchem-2259	13	16	colorectal	colorectal	ADJ
eurjchem-2259	13	17	cancer	cancer	NOUN
eurjchem-2259	13	18	(	(	PUNCT
eurjchem-2259	13	19	crc	crc	NOUN
eurjchem-2259	13	20	)	)	PUNCT
eurjchem-2259	13	21	is	be	AUX
eurjchem-2259	13	22	the	the	DET
eurjchem-2259	13	23	term	term	NOUN
eurjchem-2259	13	24	that	that	PRON
eurjchem-2259	13	25	refers	refer	VERB
eurjchem-2259	13	26	to	to	ADP
eurjchem-2259	13	27	colon	colon	NOUN
eurjchem-2259	13	28	cancer	cancer	NOUN
eurjchem-2259	13	29	(	(	PUNCT
eurjchem-2259	13	30	cc	cc	NOUN
eurjchem-2259	13	31	)	)	PUNCT
eurjchem-2259	13	32	and	and	CCONJ
eurjchem-2259	13	33	rectal	rectal	ADJ
eurjchem-2259	13	34	cancer	cancer	NOUN
eurjchem-2259	13	35	(	(	PUNCT
eurjchem-2259	13	36	rc	rc	PROPN
eurjchem-2259	13	37	)	)	PUNCT
eurjchem-2259	13	38	,	,	PUNCT
eurjchem-2259	13	39	which	which	PRON
eurjchem-2259	13	40	is	be	AUX
eurjchem-2259	13	41	considered	consider	VERB
eurjchem-2259	13	42	as	as	ADP
eurjchem-2259	13	43	a	a	DET
eurjchem-2259	13	44	single	single	ADJ
eurjchem-2259	13	45	tumor	tumor	NOUN
eurjchem-2259	13	46	entity	entity	NOUN
eurjchem-2259	13	47	[	[	X
eurjchem-2259	13	48	1	1	NUM
eurjchem-2259	13	49	]	]	PUNCT
eurjchem-2259	13	50	,	,	PUNCT
eurjchem-2259	13	51	is	be	AUX
eurjchem-2259	13	52	the	the	DET
eurjchem-2259	13	53	third	third	ADJ
eurjchem-2259	13	54	most	most	ADV
eurjchem-2259	13	55	common	common	ADJ
eurjchem-2259	13	56	malignancy	malignancy	NOUN
eurjchem-2259	13	57	and	and	CCONJ
eurjchem-2259	13	58	the	the	DET
eurjchem-2259	13	59	second	second	ADJ
eurjchem-2259	13	60	in	in	ADP
eurjchem-2259	13	61	mortality	mortality	NOUN
eurjchem-2259	13	62	[	[	X
eurjchem-2259	13	63	2	2	NUM
eurjchem-2259	13	64	]	]	PUNCT
eurjchem-2259	13	65	.	.	PUNCT
eurjchem-2259	14	1	the	the	DET
eurjchem-2259	14	2	reasons	reason	NOUN
eurjchem-2259	14	3	for	for	ADP
eurjchem-2259	14	4	these	these	DET
eurjchem-2259	14	5	increases	increase	NOUN
eurjchem-2259	14	6	are	be	AUX
eurjchem-2259	14	7	complex	complex	ADJ
eurjchem-2259	14	8	,	,	PUNCT
eurjchem-2259	14	9	but	but	CCONJ
eurjchem-2259	14	10	genetic	genetic	ADJ
eurjchem-2259	14	11	and	and	CCONJ
eurjchem-2259	14	12	environmental	environmental	ADJ
eurjchem-2259	14	13	factors	factor	NOUN
eurjchem-2259	14	14	play	play	VERB
eurjchem-2259	14	15	an	an	DET
eurjchem-2259	14	16	important	important	ADJ
eurjchem-2259	14	17	role	role	NOUN
eurjchem-2259	15	1	[	[	X
eurjchem-2259	15	2	3	3	NUM
eurjchem-2259	15	3	-	-	SYM
eurjchem-2259	15	4	5	5	NUM
eurjchem-2259	15	5	]	]	PUNCT
eurjchem-2259	15	6	.	.	PUNCT
eurjchem-2259	16	1	crc	crc	PROPN
eurjchem-2259	16	2	is	be	AUX
eurjchem-2259	16	3	caused	cause	VERB
eurjchem-2259	16	4	by	by	ADP
eurjchem-2259	16	5	uncontrolled	uncontrolled	ADJ
eurjchem-2259	16	6	cell	cell	NOUN
eurjchem-2259	16	7	proliferation	proliferation	NOUN
eurjchem-2259	16	8	and	and	CCONJ
eurjchem-2259	16	9	division	division	NOUN
eurjchem-2259	16	10	,	,	PUNCT
eurjchem-2259	16	11	which	which	PRON
eurjchem-2259	16	12	occurs	occur	VERB
eurjchem-2259	16	13	when	when	SCONJ
eurjchem-2259	16	14	genetic	genetic	ADJ
eurjchem-2259	16	15	[	[	X
eurjchem-2259	16	16	6	6	NUM
eurjchem-2259	16	17	]	]	PUNCT
eurjchem-2259	16	18	,	,	PUNCT
eurjchem-2259	16	19	metabolic	metabolic	NOUN
eurjchem-2259	16	20	[	[	X
eurjchem-2259	16	21	7	7	NUM
eurjchem-2259	16	22	]	]	PUNCT
eurjchem-2259	16	23	,	,	PUNCT
eurjchem-2259	16	24	and	and	CCONJ
eurjchem-2259	16	25	carcinogenic	carcinogenic	ADJ
eurjchem-2259	16	26	factors	factor	NOUN
eurjchem-2259	16	27	[	[	X
eurjchem-2259	16	28	8	8	NUM
eurjchem-2259	16	29	]	]	PUNCT
eurjchem-2259	16	30	damage	damage	NOUN
eurjchem-2259	16	31	the	the	DET
eurjchem-2259	16	32	dna	dna	NOUN
eurjchem-2259	16	33	and	and	CCONJ
eurjchem-2259	16	34	inducing	induce	VERB
eurjchem-2259	16	35	mutations	mutation	NOUN
eurjchem-2259	16	36	[	[	X
eurjchem-2259	16	37	9,10	9,10	NUM
eurjchem-2259	16	38	]	]	X
eurjchem-2259	16	39	.	.	PUNCT
eurjchem-2259	17	1	this	this	DET
eurjchem-2259	17	2	process	process	NOUN
eurjchem-2259	17	3	involves	involve	VERB
eurjchem-2259	17	4	the	the	DET
eurjchem-2259	17	5	activation	activation	NOUN
eurjchem-2259	17	6	of	of	ADP
eurjchem-2259	17	7	oncogenes	oncogene	NOUN
eurjchem-2259	17	8	and/or	and/or	CCONJ
eurjchem-2259	17	9	the	the	DET
eurjchem-2259	17	10	deactivation	deactivation	NOUN
eurjchem-2259	17	11	of	of	ADP
eurjchem-2259	17	12	a	a	DET
eurjchem-2259	17	13	tumor	tumor	NOUN
eurjchem-2259	17	14	suppressor	suppressor	NOUN
eurjchem-2259	17	15	gene	gene	NOUN
eurjchem-2259	17	16	,	,	PUNCT
eurjchem-2259	17	17	leading	lead	VERB
eurjchem-2259	17	18	to	to	ADP
eurjchem-2259	17	19	uncontrolled	uncontrolled	ADJ
eurjchem-2259	17	20	cell	cell	NOUN
eurjchem-2259	17	21	cycle	cycle	NOUN
eurjchem-2259	17	22	progression	progression	NOUN
eurjchem-2259	17	23	and	and	CCONJ
eurjchem-2259	17	24	inactivation	inactivation	NOUN
eurjchem-2259	17	25	of	of	ADP
eurjchem-2259	17	26	apoptosis	apoptosis	NOUN
eurjchem-2259	17	27	.	.	PUNCT
eurjchem-2259	18	1	the	the	DET
eurjchem-2259	18	2	standard	standard	ADJ
eurjchem-2259	18	3	treatment	treatment	NOUN
eurjchem-2259	18	4	for	for	ADP
eurjchem-2259	18	5	crc	crc	NOUN
eurjchem-2259	18	6	is	be	AUX
eurjchem-2259	18	7	chemotherapy	chemotherapy	NOUN
eurjchem-2259	18	8	,	,	PUNCT
eurjchem-2259	18	9	surgery	surgery	NOUN
eurjchem-2259	18	10	and	and	CCONJ
eurjchem-2259	18	11	radiation	radiation	NOUN
eurjchem-2259	18	12	or	or	CCONJ
eurjchem-2259	18	13	a	a	DET
eurjchem-2259	18	14	combination	combination	NOUN
eurjchem-2259	18	15	of	of	ADP
eurjchem-2259	18	16	these	these	PRON
eurjchem-2259	18	17	for	for	ADP
eurjchem-2259	18	18	advanced	advanced	ADJ
eurjchem-2259	18	19	stage	stage	NOUN
eurjchem-2259	18	20	disease	disease	NOUN
eurjchem-2259	18	21	,	,	PUNCT
eurjchem-2259	18	22	this	this	DET
eurjchem-2259	18	23	approach	approach	NOUN
eurjchem-2259	18	24	depends	depend	VERB
eurjchem-2259	18	25	on	on	ADP
eurjchem-2259	18	26	tumor	tumor	NOUN
eurjchem-2259	18	27	characteristics	characteristic	NOUN
eurjchem-2259	18	28	,	,	PUNCT
eurjchem-2259	18	29	such	such	ADJ
eurjchem-2259	18	30	as	as	ADP
eurjchem-2259	18	31	location	location	NOUN
eurjchem-2259	18	32	,	,	PUNCT
eurjchem-2259	18	33	size	size	NOUN
eurjchem-2259	18	34	,	,	PUNCT
eurjchem-2259	18	35	extent	extent	NOUN
eurjchem-2259	18	36	of	of	ADP
eurjchem-2259	18	37	cancer	cancer	NOUN
eurjchem-2259	18	38	metastasis	metastasis	NOUN
eurjchem-2259	18	39	and	and	CCONJ
eurjchem-2259	18	40	the	the	DET
eurjchem-2259	18	41	health	health	NOUN
eurjchem-2259	18	42	status	status	NOUN
eurjchem-2259	18	43	of	of	ADP
eurjchem-2259	18	44	the	the	DET
eurjchem-2259	18	45	patient	patient	NOUN
eurjchem-2259	18	46	[	[	X
eurjchem-2259	18	47	11	11	NUM
eurjchem-2259	18	48	]	]	PUNCT
eurjchem-2259	18	49	.	.	PUNCT
eurjchem-2259	19	1	however	however	ADV
eurjchem-2259	19	2	,	,	PUNCT
eurjchem-2259	19	3	these	these	DET
eurjchem-2259	19	4	treatment	treatment	NOUN
eurjchem-2259	19	5	options	option	NOUN
eurjchem-2259	19	6	have	have	AUX
eurjchem-2259	19	7	had	have	VERB
eurjchem-2259	19	8	limited	limit	VERB
eurjchem-2259	19	9	impact	impact	NOUN
eurjchem-2259	19	10	as	as	ADP
eurjchem-2259	19	11	cancer	cancer	NOUN
eurjchem-2259	19	12	progress	progress	NOUN
eurjchem-2259	19	13	which	which	PRON
eurjchem-2259	19	14	make	make	VERB
eurjchem-2259	19	15	the	the	DET
eurjchem-2259	19	16	development	development	NOUN
eurjchem-2259	19	17	of	of	ADP
eurjchem-2259	19	18	new	new	ADJ
eurjchem-2259	19	19	anticancer	anticancer	NOUN
eurjchem-2259	19	20	drugs	drug	NOUN
eurjchem-2259	19	21	an	an	DET
eurjchem-2259	19	22	emergency	emergency	NOUN
eurjchem-2259	19	23	need	need	NOUN
eurjchem-2259	19	24	.	.	PUNCT
eurjchem-2259	20	1	pyrazole	pyrazole	NOUN
eurjchem-2259	20	2	is	be	AUX
eurjchem-2259	20	3	an	an	DET
eurjchem-2259	20	4	unsaturated	unsaturated	ADJ
eurjchem-2259	20	5	five	five	NUM
eurjchem-2259	20	6	-	-	PUNCT
eurjchem-2259	20	7	membered	membere	VERB
eurjchem-2259	20	8	ring	ring	NOUN
eurjchem-2259	20	9	containing	contain	VERB
eurjchem-2259	20	10	two	two	NUM
eurjchem-2259	20	11	nitrogen	nitrogen	NOUN
eurjchem-2259	20	12	atoms	atom	NOUN
eurjchem-2259	20	13	at	at	ADP
eurjchem-2259	20	14	positions	position	NOUN
eurjchem-2259	20	15	1	1	NUM
eurjchem-2259	20	16	and	and	CCONJ
eurjchem-2259	20	17	2	2	NUM
eurjchem-2259	20	18	and	and	CCONJ
eurjchem-2259	20	19	,	,	PUNCT
eurjchem-2259	20	20	among	among	ADP
eurjchem-2259	20	21	heterocyclic	heterocyclic	ADJ
eurjchem-2259	20	22	compounds	compound	NOUN
eurjchem-2259	20	23	,	,	PUNCT
eurjchem-2259	20	24	represents	represent	VERB
eurjchem-2259	20	25	one	one	NUM
eurjchem-2259	20	26	of	of	ADP
eurjchem-2259	20	27	the	the	DET
eurjchem-2259	20	28	most	most	ADV
eurjchem-2259	20	29	important	important	ADJ
eurjchem-2259	20	30	chemical	chemical	NOUN
eurjchem-2259	20	31	scaffolds	scaffold	NOUN
eurjchem-2259	20	32	in	in	ADP
eurjchem-2259	20	33	medicinal	medicinal	ADJ
eurjchem-2259	20	34	chemistry	chemistry	NOUN
eurjchem-2259	21	1	[	[	X
eurjchem-2259	21	2	12	12	NUM
eurjchem-2259	21	3	]	]	PUNCT
eurjchem-2259	21	4	,	,	PUNCT
eurjchem-2259	21	5	it	it	PRON
eurjchem-2259	21	6	is	be	AUX
eurjchem-2259	21	7	displaying	display	VERB
eurjchem-2259	21	8	a	a	DET
eurjchem-2259	21	9	broad	broad	ADJ
eurjchem-2259	21	10	spectrum	spectrum	NOUN
eurjchem-2259	21	11	of	of	ADP
eurjchem-2259	21	12	pharmaceutical	pharmaceutical	ADJ
eurjchem-2259	21	13	and	and	CCONJ
eurjchem-2259	21	14	biological	biological	ADJ
eurjchem-2259	21	15	activity	activity	NOUN
eurjchem-2259	21	16	such	such	ADJ
eurjchem-2259	21	17	as	as	ADP
eurjchem-2259	21	18	anti	anti	ADJ
eurjchem-2259	21	19	-	-	NOUN
eurjchem-2259	21	20	cancer	cancer	ADJ
eurjchem-2259	21	21	,	,	PUNCT
eurjchem-2259	21	22	anti	anti	ADJ
eurjchem-2259	21	23	-	-	ADJ
eurjchem-2259	21	24	inflammatory	inflammatory	ADJ
eurjchem-2259	21	25	,	,	PUNCT
eurjchem-2259	21	26	anti	anti	ADJ
eurjchem-2259	21	27	-	-	ADJ
eurjchem-2259	21	28	fungal	fungal	ADJ
eurjchem-2259	21	29	,	,	PUNCT
eurjchem-2259	21	30	anti	anti	ADJ
eurjchem-2259	21	31	-	-	ADJ
eurjchem-2259	21	32	bacterial	bacterial	ADJ
eurjchem-2259	21	33	,	,	PUNCT
eurjchem-2259	21	34	anti	anti	ADJ
eurjchem-2259	21	35	-	-	ADJ
eurjchem-2259	21	36	insecticidal	insecticidal	ADJ
eurjchem-2259	21	37	,	,	PUNCT
eurjchem-2259	21	38	analgesic	analgesic	ADJ
eurjchem-2259	21	39	,	,	PUNCT
eurjchem-2259	21	40	anticonvulsant	anticonvulsant	ADJ
eurjchem-2259	21	41	,	,	PUNCT
eurjchem-2259	21	42	anti	anti	ADJ
eurjchem-2259	21	43	-	-	ADJ
eurjchem-2259	21	44	diabetic	diabetic	ADJ
eurjchem-2259	21	45	,	,	PUNCT
eurjchem-2259	21	46	antipyretic	antipyretic	ADJ
eurjchem-2259	21	47	,	,	PUNCT
eurjchem-2259	21	48	anti	anti	ADJ
eurjchem-2259	21	49	-	-	ADJ
eurjchem-2259	21	50	arrhythmic	arrhythmic	ADJ
eurjchem-2259	21	51	,	,	PUNCT
eurjchem-2259	21	52	anti	anti	ADJ
eurjchem-2259	21	53	-	-	ADJ
eurjchem-2259	21	54	depressant	depressant	ADJ
eurjchem-2259	21	55	,	,	PUNCT
eurjchem-2259	21	56	anti	anti	ADJ
eurjchem-2259	21	57	-	-	ADJ
eurjchem-2259	21	58	hyperglycemic	hyperglycemic	ADJ
eurjchem-2259	21	59	,	,	PUNCT
eurjchem-2259	21	60	anti	anti	ADJ
eurjchem-2259	21	61	-	-	ADJ
eurjchem-2259	21	62	oxidant	oxidant	ADJ
eurjchem-2259	21	63	,	,	PUNCT
eurjchem-2259	21	64	and	and	CCONJ
eurjchem-2259	21	65	herbicidal	herbicidal	NOUN
eurjchem-2259	21	66	etc	etc	X
eurjchem-2259	21	67	.	.	PUNCT
eurjchem-2259	22	1	[	[	X
eurjchem-2259	22	2	13	13	NUM
eurjchem-2259	22	3	-	-	SYM
eurjchem-2259	22	4	15	15	NUM
eurjchem-2259	22	5	]	]	PUNCT
eurjchem-2259	22	6	.	.	PUNCT
eurjchem-2259	23	1	quantitative	quantitative	ADJ
eurjchem-2259	23	2	structure	structure	NOUN
eurjchem-2259	23	3	-	-	PUNCT
eurjchem-2259	23	4	activity	activity	NOUN
eurjchem-2259	23	5	relationships	relationship	NOUN
eurjchem-2259	23	6	have	have	AUX
eurjchem-2259	23	7	been	be	AUX
eurjchem-2259	23	8	applied	apply	VERB
eurjchem-2259	23	9	for	for	ADP
eurjchem-2259	23	10	decades	decade	NOUN
eurjchem-2259	23	11	in	in	ADP
eurjchem-2259	23	12	the	the	DET
eurjchem-2259	23	13	development	development	NOUN
eurjchem-2259	23	14	of	of	ADP
eurjchem-2259	23	15	relationships	relationship	NOUN
eurjchem-2259	23	16	between	between	ADP
eurjchem-2259	23	17	physicochemical	physicochemical	ADJ
eurjchem-2259	23	18	properties	property	NOUN
eurjchem-2259	23	19	of	of	ADP
eurjchem-2259	23	20	chemical	chemical	ADJ
eurjchem-2259	23	21	substances	substance	NOUN
eurjchem-2259	23	22	and	and	CCONJ
eurjchem-2259	23	23	their	their	PRON
eurjchem-2259	23	24	biological	biological	ADJ
eurjchem-2259	23	25	activities	activity	NOUN
eurjchem-2259	23	26	to	to	PART
eurjchem-2259	23	27	obtain	obtain	VERB
eurjchem-2259	23	28	a	a	DET
eurjchem-2259	23	29	reliable	reliable	ADJ
eurjchem-2259	23	30	statistical	statistical	ADJ
eurjchem-2259	23	31	model	model	NOUN
eurjchem-2259	23	32	for	for	ADP
eurjchem-2259	23	33	prediction	prediction	NOUN
eurjchem-2259	23	34	of	of	ADP
eurjchem-2259	23	35	the	the	DET
eurjchem-2259	23	36	activities	activity	NOUN
eurjchem-2259	23	37	of	of	ADP
eurjchem-2259	23	38	new	new	ADJ
eurjchem-2259	23	39	chemical	chemical	NOUN
eurjchem-2259	23	40	entities	entity	NOUN
eurjchem-2259	23	41	and	and	CCONJ
eurjchem-2259	23	42	improve	improve	VERB
eurjchem-2259	23	43	the	the	DET
eurjchem-2259	23	44	inhibitory	inhibitory	NOUN
eurjchem-2259	23	45	of	of	ADP
eurjchem-2259	23	46	drugs	drug	NOUN
eurjchem-2259	23	47	.	.	PUNCT
eurjchem-2259	24	1	the	the	DET
eurjchem-2259	24	2	fundamental	fundamental	ADJ
eurjchem-2259	24	3	principle	principle	NOUN
eurjchem-2259	24	4	underlying	underlie	VERB
eurjchem-2259	24	5	the	the	DET
eurjchem-2259	24	6	formalism	formalism	NOUN
eurjchem-2259	24	7	is	be	AUX
eurjchem-2259	24	8	that	that	SCONJ
eurjchem-2259	24	9	the	the	DET
eurjchem-2259	24	10	difference	difference	NOUN
eurjchem-2259	24	11	in	in	ADP
eurjchem-2259	24	12	structural	structural	ADJ
eurjchem-2259	24	13	properties	property	NOUN
eurjchem-2259	24	14	is	be	AUX
eurjchem-2259	24	15	responsible	responsible	ADJ
eurjchem-2259	24	16	for	for	ADP
eurjchem-2259	24	17	the	the	DET
eurjchem-2259	24	18	variations	variation	NOUN
eurjchem-2259	24	19	in	in	ADP
eurjchem-2259	24	20	biological	biological	ADJ
eurjchem-2259	24	21	activities	activity	NOUN
eurjchem-2259	24	22	of	of	ADP
eurjchem-2259	24	23	the	the	DET
eurjchem-2259	24	24	compounds	compound	NOUN
eurjchem-2259	24	25	[	[	X
eurjchem-2259	24	26	16	16	NUM
eurjchem-2259	24	27	]	]	PUNCT
eurjchem-2259	24	28	,	,	PUNCT
eurjchem-2259	24	29	qsar	qsar	NOUN
eurjchem-2259	24	30	modeling	modeling	NOUN
eurjchem-2259	24	31	involves	involve	VERB
eurjchem-2259	24	32	main	main	ADJ
eurjchem-2259	24	33	steps	step	NOUN
eurjchem-2259	24	34	:	:	PUNCT
eurjchem-2259	24	35	(	(	PUNCT
eurjchem-2259	24	36	i	i	NOUN
eurjchem-2259	24	37	)	)	PUNCT
eurjchem-2259	24	38	model	model	NOUN
eurjchem-2259	24	39	building	building	NOUN
eurjchem-2259	24	40	by	by	ADP
eurjchem-2259	24	41	collecting	collect	VERB
eurjchem-2259	24	42	the	the	DET
eurjchem-2259	24	43	data	datum	NOUN
eurjchem-2259	24	44	set	set	VERB
eurjchem-2259	24	45	compounds	compound	NOUN
eurjchem-2259	24	46	,	,	PUNCT
eurjchem-2259	24	47	(	(	PUNCT
eurjchem-2259	24	48	ii	ii	NOUN
eurjchem-2259	24	49	)	)	PUNCT
eurjchem-2259	24	50	model	model	NOUN
eurjchem-2259	24	51	validation	validation	NOUN
eurjchem-2259	24	52	with	with	ADP
eurjchem-2259	24	53	internal	internal	ADJ
eurjchem-2259	24	54	validation	validation	NOUN
eurjchem-2259	24	55	using	use	VERB
eurjchem-2259	24	56	training	training	NOUN
eurjchem-2259	24	57	set	set	VERB
eurjchem-2259	24	58	compounds	compound	NOUN
eurjchem-2259	24	59	to	to	PART
eurjchem-2259	24	60	assess	assess	VERB
eurjchem-2259	24	61	its	its	PRON
eurjchem-2259	24	62	quality	quality	NOUN
eurjchem-2259	24	63	,	,	PUNCT
eurjchem-2259	24	64	and	and	CCONJ
eurjchem-2259	24	65	(	(	PUNCT
eurjchem-2259	24	66	iii	iii	X
eurjchem-2259	24	67	)	)	PUNCT
eurjchem-2259	24	68	model	model	NOUN
eurjchem-2259	24	69	validation	validation	NOUN
eurjchem-2259	24	70	with	with	ADP
eurjchem-2259	24	71	abstract	abstract	ADJ
eurjchem-2259	24	72	research	research	NOUN
eurjchem-2259	24	73	article	article	NOUN
eurjchem-2259	24	74	keywords	keyword	VERB
eurjchem-2259	24	75	https://dx.doi.org/10.5155/eurjchem.13.3.319-326.2259	https://dx.doi.org/10.5155/eurjchem.13.3.319-326.2259	NOUN
eurjchem-2259	24	76	https://www.eurjchem.com/	https://www.eurjchem.com/	VERB
eurjchem-2259	24	77	https://dx.doi.org/10.5155/eurjchem.13.3.319-326.2259	https://dx.doi.org/10.5155/eurjchem.13.3.319-326.2259	PROPN
eurjchem-2259	24	78	mailto:hibahashim.m@hotmail.com	mailto:hibahashim.m@hotmail.com	PROPN
eurjchem-2259	24	79	http://www.eurjchem.com/	http://www.eurjchem.com/	PROPN
eurjchem-2259	24	80	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.13.3.319-326.2259&domain=pdf&date_stamp=2022-09-30	https://crossmark.crossref.org/dialog/?doi=10.5155/eurjchem.13.3.319-326.2259&domain=pdf&date_stamp=2022-09-30	PROPN
eurjchem-2259	24	81	320	320	NUM
eurjchem-2259	24	82	mohamed	mohamed	PROPN
eurjchem-2259	24	83	et	et	PROPN
eurjchem-2259	24	84	al	al	PROPN
eurjchem-2259	24	85	.	.	PUNCT
eurjchem-2259	24	86	/	/	SYM
eurjchem-2259	24	87	european	european	PROPN
eurjchem-2259	24	88	journal	journal	PROPN
eurjchem-2259	24	89	of	of	ADP
eurjchem-2259	24	90	chemistry	chemistry	NOUN
eurjchem-2259	24	91	13	13	NUM
eurjchem-2259	24	92	(	(	PUNCT
eurjchem-2259	24	93	3	3	NUM
eurjchem-2259	24	94	)	)	PUNCT
eurjchem-2259	24	95	(	(	PUNCT
eurjchem-2259	24	96	2022	2022	NUM
eurjchem-2259	24	97	)	)	PUNCT
eurjchem-2259	24	98	319	319	NUM
eurjchem-2259	24	99	-	-	SYM
eurjchem-2259	24	100	326	326	NUM
eurjchem-2259	24	101	2022	2022	NUM
eurjchem-2259	24	102	–	–	PUNCT
eurjchem-2259	24	103	european	european	ADJ
eurjchem-2259	24	104	journal	journal	NOUN
eurjchem-2259	24	105	of	of	ADP
eurjchem-2259	24	106	chemistry	chemistry	NOUN
eurjchem-2259	24	107	–	–	PUNCT
eurjchem-2259	24	108	cc	cc	NOUN
eurjchem-2259	24	109	by	by	ADP
eurjchem-2259	24	110	nc	nc	PROPN
eurjchem-2259	24	111	–	–	PUNCT
eurjchem-2259	24	112	doi	doi	NOUN
eurjchem-2259	24	113	:	:	PUNCT
eurjchem-2259	24	114	10.5155	10.5155	NUM
eurjchem-2259	24	115	/	/	SYM
eurjchem-2259	24	116	eurjchem.13.3.319	eurjchem.13.3.319	NOUN
eurjchem-2259	24	117	-	-	PUNCT
eurjchem-2259	24	118	326.2259	326.2259	NUM
eurjchem-2259	24	119	table	table	NOUN
eurjchem-2259	24	120	1	1	NUM
eurjchem-2259	24	121	.	.	PUNCT
eurjchem-2259	24	122	biological	biological	ADJ
eurjchem-2259	24	123	activities	activity	NOUN
eurjchem-2259	24	124	and	and	CCONJ
eurjchem-2259	24	125	structures	structure	NOUN
eurjchem-2259	24	126	of	of	ADP
eurjchem-2259	24	127	pyrazole	pyrazole	NOUN
eurjchem-2259	24	128	containing	contain	VERB
eurjchem-2259	24	129	acetamide	acetamide	NOUN
eurjchem-2259	24	130	moiety	moiety	PROPN
eurjchem-2259	24	131	compounds	compound	NOUN
eurjchem-2259	24	132	obtained	obtain	VERB
eurjchem-2259	24	133	from	from	ADP
eurjchem-2259	24	134	literature	literature	NOUN
eurjchem-2259	24	135	[	[	X
eurjchem-2259	24	136	19	19	NUM
eurjchem-2259	24	137	]	]	PUNCT
eurjchem-2259	24	138	.	.	PUNCT
eurjchem-2259	25	1	n	n	PROPN
eurjchem-2259	25	2	n	n	CCONJ
eurjchem-2259	25	3	r1	r1	NOUN
eurjchem-2259	25	4	h	h	NOUN
eurjchem-2259	25	5	n	n	PROPN
eurjchem-2259	25	6	r2	r2	PROPN
eurjchem-2259	25	7	o	o	PROPN
eurjchem-2259	25	8	compound	compound	NOUN
eurjchem-2259	25	9	r1	r1	PROPN
eurjchem-2259	25	10	r2	r2	PROPN
eurjchem-2259	25	11	ic50	ic50	PROPN
eurjchem-2259	25	12	(	(	PUNCT
eurjchem-2259	25	13	µm	µm	NOUN
eurjchem-2259	25	14	)	)	PUNCT
eurjchem-2259	25	15	pic50	pic50	NOUN
eurjchem-2259	25	16	1	1	NUM
eurjchem-2259	25	17	-ch3	-ch3	NUM
eurjchem-2259	25	18	h3co	h3co	PUNCT
eurjchem-2259	25	19	h3co	h3co	X
eurjchem-2259	25	20	32.80	32.80	NUM
eurjchem-2259	25	21	4.48	4.48	NUM
eurjchem-2259	25	22	2	2	NUM
eurjchem-2259	25	23	-ch2ch3	-ch2ch3	ADP
eurjchem-2259	25	24	25.62	25.62	NUM
eurjchem-2259	25	25	4.59	4.59	NUM
eurjchem-2259	25	26	3	3	NUM
eurjchem-2259	25	27	8.43	8.43	NUM
eurjchem-2259	25	28	5.07	5.07	NUM
eurjchem-2259	25	29	4	4	NUM
eurjchem-2259	25	30	11.54	11.54	NUM
eurjchem-2259	25	31	4.94	4.94	NUM
eurjchem-2259	25	32	5	5	NUM
eurjchem-2259	25	33	h3c	h3c	PUNCT
eurjchem-2259	25	34	8.73	8.73	NUM
eurjchem-2259	25	35	5.06	5.06	NUM
eurjchem-2259	25	36	6	6	NUM
eurjchem-2259	25	37	o	o	NOUN
eurjchem-2259	25	38	h3c	h3c	VERB
eurjchem-2259	25	39	9.33	9.33	NUM
eurjchem-2259	25	40	5.03	5.03	NUM
eurjchem-2259	25	41	7	7	NUM
eurjchem-2259	25	42	o	o	NOUN
eurjchem-2259	25	43	h3c	h3c	VERB
eurjchem-2259	25	44	7.98	7.98	NUM
eurjchem-2259	25	45	5.10	5.10	NUM
eurjchem-2259	25	46	8	8	NUM
eurjchem-2259	25	47	-ch2ch3	-ch2ch3	PUNCT
eurjchem-2259	25	48	n	n	ADP
eurjchem-2259	25	49	49.87	49.87	NUM
eurjchem-2259	25	50	4.30	4.30	NUM
eurjchem-2259	25	51	9	9	NUM
eurjchem-2259	25	52	12.35	12.35	NUM
eurjchem-2259	25	53	4.91	4.91	NUM
eurjchem-2259	25	54	10	10	NUM
eurjchem-2259	25	55	26.55	26.55	NUM
eurjchem-2259	25	56	4.58	4.58	NUM
eurjchem-2259	25	57	11	11	NUM
eurjchem-2259	25	58	h3c	h3c	VERB
eurjchem-2259	26	1	24.14	24.14	NUM
eurjchem-2259	26	2	4.62	4.62	NUM
eurjchem-2259	26	3	12	12	NUM
eurjchem-2259	26	4	o	o	NOUN
eurjchem-2259	26	5	h3c	h3c	PUNCT
eurjchem-2259	26	6	12.74	12.74	NUM
eurjchem-2259	26	7	4.89	4.89	NUM
eurjchem-2259	26	8	13	13	NUM
eurjchem-2259	26	9	o	o	NOUN
eurjchem-2259	26	10	h3c	h3c	VERB
eurjchem-2259	26	11	10.13	10.13	NUM
eurjchem-2259	26	12	4.99	4.99	NUM
eurjchem-2259	26	13	14	14	NUM
eurjchem-2259	26	14	-ch3	-ch3	PROPN
eurjchem-2259	26	15	n	n	CCONJ
eurjchem-2259	26	16	n	n	ADV
eurjchem-2259	26	17	cl	cl	NOUN
eurjchem-2259	26	18	22.56	22.56	NUM
eurjchem-2259	26	19	4.65	4.65	NUM
eurjchem-2259	26	20	15	15	NUM
eurjchem-2259	26	21	-ch2ch3	-ch2ch3	NOUN
eurjchem-2259	26	22	12.92	12.92	NUM
eurjchem-2259	26	23	4.89	4.89	NUM
eurjchem-2259	26	24	16	16	NUM
eurjchem-2259	26	25	5.70	5.70	NUM
eurjchem-2259	26	26	5.24	5.24	NUM
eurjchem-2259	26	27	17	17	NUM
eurjchem-2259	26	28	o	o	NOUN
eurjchem-2259	26	29	h3c	h3c	VERB
eurjchem-2259	27	1	2.17	2.17	NUM
eurjchem-2259	27	2	5.66	5.66	NUM
eurjchem-2259	27	3	18	18	NUM
eurjchem-2259	27	4	-ch3	-ch3	NUM
eurjchem-2259	27	5	n	n	CCONJ
eurjchem-2259	27	6	n	n	CCONJ
eurjchem-2259	27	7	n	n	ADV
eurjchem-2259	27	8	25.36	25.36	NUM
eurjchem-2259	27	9	4.60	4.60	NUM
eurjchem-2259	27	10	19	19	NUM
eurjchem-2259	27	11	-ch2ch3	-ch2ch3	ADP
eurjchem-2259	27	12	26.79	26.79	NUM
eurjchem-2259	27	13	4.57	4.57	NUM
eurjchem-2259	27	14	20	20	NUM
eurjchem-2259	27	15	12.65	12.65	NUM
eurjchem-2259	27	16	4.90	4.90	NUM
eurjchem-2259	27	17	21	21	NUM
eurjchem-2259	27	18	o	o	NOUN
eurjchem-2259	27	19	h3c	h3c	VERB
eurjchem-2259	27	20	6.16	6.16	NUM
eurjchem-2259	27	21	5.21	5.21	NUM
eurjchem-2259	27	22	vemurafenib	vemurafenib	NOUN
eurjchem-2259	27	23	s	s	PART
eurjchem-2259	27	24	o	o	NOUN
eurjchem-2259	28	1	oh	oh	INTJ
eurjchem-2259	28	2	n	n	ADV
eurjchem-2259	29	1	f	f	NOUN
eurjchem-2259	29	2	f	f	NOUN
eurjchem-2259	29	3	o	o	INTJ
eurjchem-2259	29	4	n	n	CCONJ
eurjchem-2259	29	5	h	h	NOUN
eurjchem-2259	29	6	n	n	NOUN
eurjchem-2259	29	7	cl	cl	NOUN
eurjchem-2259	29	8	1.52	1.52	NUM
eurjchem-2259	29	9	5.82	5.82	NUM
eurjchem-2259	29	10	an	an	DET
eurjchem-2259	29	11	external	external	ADJ
eurjchem-2259	29	12	validation	validation	NOUN
eurjchem-2259	29	13	using	use	VERB
eurjchem-2259	29	14	test	test	NOUN
eurjchem-2259	29	15	set	set	VERB
eurjchem-2259	29	16	compounds	compound	NOUN
eurjchem-2259	29	17	to	to	PART
eurjchem-2259	29	18	assess	assess	VERB
eurjchem-2259	29	19	its	its	PRON
eurjchem-2259	29	20	predictability	predictability	NOUN
eurjchem-2259	29	21	[	[	X
eurjchem-2259	29	22	17,18	17,18	X
eurjchem-2259	29	23	]	]	PUNCT
eurjchem-2259	29	24	.	.	PUNCT
eurjchem-2259	30	1	the	the	DET
eurjchem-2259	30	2	current	current	ADJ
eurjchem-2259	30	3	study	study	NOUN
eurjchem-2259	30	4	aimed	aim	VERB
eurjchem-2259	30	5	to	to	PART
eurjchem-2259	30	6	obtain	obtain	VERB
eurjchem-2259	30	7	a	a	DET
eurjchem-2259	30	8	qsar	qsar	NOUN
eurjchem-2259	30	9	model	model	NOUN
eurjchem-2259	30	10	of	of	ADP
eurjchem-2259	30	11	a	a	DET
eurjchem-2259	30	12	series	series	NOUN
eurjchem-2259	30	13	of	of	ADP
eurjchem-2259	30	14	novel	novel	ADJ
eurjchem-2259	30	15	pyrazole	pyrazole	NOUN
eurjchem-2259	30	16	derivatives	derivative	NOUN
eurjchem-2259	30	17	containing	contain	VERB
eurjchem-2259	30	18	acetamide	acetamide	NOUN
eurjchem-2259	30	19	moiety	moiety	NOUN
eurjchem-2259	30	20	in	in	ADP
eurjchem-2259	30	21	order	order	NOUN
eurjchem-2259	30	22	to	to	PART
eurjchem-2259	30	23	predict	predict	VERB
eurjchem-2259	30	24	antiproliferative	antiproliferative	ADJ
eurjchem-2259	30	25	activity	activity	NOUN
eurjchem-2259	30	26	against	against	ADP
eurjchem-2259	30	27	human	human	ADJ
eurjchem-2259	30	28	colorectal	colorectal	ADJ
eurjchem-2259	30	29	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2259	30	30	cell	cell	NOUN
eurjchem-2259	30	31	line	line	NOUN
eurjchem-2259	30	32	ht-29	ht-29	X
eurjchem-2259	30	33	,	,	PUNCT
eurjchem-2259	30	34	validate	validate	VERB
eurjchem-2259	30	35	the	the	DET
eurjchem-2259	30	36	predictive	predictive	ADJ
eurjchem-2259	30	37	ability	ability	NOUN
eurjchem-2259	30	38	of	of	ADP
eurjchem-2259	30	39	the	the	DET
eurjchem-2259	30	40	developed	develop	VERB
eurjchem-2259	30	41	model	model	NOUN
eurjchem-2259	30	42	through	through	ADP
eurjchem-2259	30	43	validation	validation	NOUN
eurjchem-2259	30	44	methods	method	NOUN
eurjchem-2259	30	45	,	,	PUNCT
eurjchem-2259	30	46	calculate	calculate	VERB
eurjchem-2259	30	47	the	the	DET
eurjchem-2259	30	48	statistical	statistical	ADJ
eurjchem-2259	30	49	parameter	parameter	NOUN
eurjchem-2259	30	50	to	to	PART
eurjchem-2259	30	51	prove	prove	VERB
eurjchem-2259	30	52	quality	quality	NOUN
eurjchem-2259	30	53	of	of	ADP
eurjchem-2259	30	54	model	model	NOUN
eurjchem-2259	30	55	,	,	PUNCT
eurjchem-2259	30	56	and	and	CCONJ
eurjchem-2259	30	57	use	use	VERB
eurjchem-2259	30	58	the	the	DET
eurjchem-2259	30	59	obtained	obtain	VERB
eurjchem-2259	30	60	model	model	NOUN
eurjchem-2259	30	61	to	to	PART
eurjchem-2259	30	62	predict	predict	VERB
eurjchem-2259	30	63	the	the	DET
eurjchem-2259	30	64	antiproliferative	antiproliferative	ADJ
eurjchem-2259	30	65	activity	activity	NOUN
eurjchem-2259	30	66	against	against	ADP
eurjchem-2259	30	67	human	human	ADJ
eurjchem-2259	30	68	colorectal	colorectal	ADJ
eurjchem-2259	30	69	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2259	30	70	cell	cell	NOUN
eurjchem-2259	30	71	line	line	NOUN
eurjchem-2259	30	72	ht-29	ht-29	X
eurjchem-2259	30	73	,	,	PUNCT
eurjchem-2259	30	74	on	on	ADP
eurjchem-2259	30	75	a	a	DET
eurjchem-2259	30	76	set	set	NOUN
eurjchem-2259	30	77	of	of	ADP
eurjchem-2259	30	78	designed	design	VERB
eurjchem-2259	30	79	compounds	compound	NOUN
eurjchem-2259	30	80	(	(	PUNCT
eurjchem-2259	30	81	22	22	NUM
eurjchem-2259	30	82	-	-	SYM
eurjchem-2259	30	83	36	36	NUM
eurjchem-2259	30	84	)	)	PUNCT
eurjchem-2259	30	85	and	and	CCONJ
eurjchem-2259	30	86	conducting	conduct	VERB
eurjchem-2259	30	87	docking	dock	VERB
eurjchem-2259	30	88	studies	study	NOUN
eurjchem-2259	30	89	for	for	ADP
eurjchem-2259	30	90	the	the	DET
eurjchem-2259	30	91	designed	design	VERB
eurjchem-2259	30	92	compounds	compound	NOUN
eurjchem-2259	30	93	on	on	ADP
eurjchem-2259	30	94	the	the	DET
eurjchem-2259	30	95	active	active	ADJ
eurjchem-2259	30	96	site	site	NOUN
eurjchem-2259	30	97	of	of	ADP
eurjchem-2259	30	98	selected	select	VERB
eurjchem-2259	30	99	protein	protein	NOUN
eurjchem-2259	30	100	5jrq	5jrq	PROPN
eurjchem-2259	30	101	.	.	PUNCT
eurjchem-2259	31	1	mohamed	mohamed	PROPN
eurjchem-2259	31	2	et	et	PROPN
eurjchem-2259	31	3	al	al	PROPN
eurjchem-2259	31	4	.	.	PUNCT
eurjchem-2259	31	5	/	/	SYM
eurjchem-2259	31	6	european	european	PROPN
eurjchem-2259	31	7	journal	journal	PROPN
eurjchem-2259	31	8	of	of	ADP
eurjchem-2259	31	9	chemistry	chemistry	NOUN
eurjchem-2259	31	10	13	13	NUM
eurjchem-2259	31	11	(	(	PUNCT
eurjchem-2259	31	12	3	3	NUM
eurjchem-2259	31	13	)	)	PUNCT
eurjchem-2259	31	14	(	(	PUNCT
eurjchem-2259	31	15	2022	2022	NUM
eurjchem-2259	31	16	)	)	PUNCT
eurjchem-2259	31	17	319	319	NUM
eurjchem-2259	31	18	-	-	SYM
eurjchem-2259	31	19	326	326	NUM
eurjchem-2259	31	20	321	321	NUM
eurjchem-2259	31	21	2022	2022	NUM
eurjchem-2259	31	22	–	–	PUNCT
eurjchem-2259	31	23	european	european	ADJ
eurjchem-2259	31	24	journal	journal	NOUN
eurjchem-2259	31	25	of	of	ADP
eurjchem-2259	31	26	chemistry	chemistry	NOUN
eurjchem-2259	31	27	–	–	PUNCT
eurjchem-2259	31	28	cc	cc	NOUN
eurjchem-2259	31	29	by	by	ADP
eurjchem-2259	31	30	nc	nc	PROPN
eurjchem-2259	31	31	–	–	PUNCT
eurjchem-2259	31	32	doi	doi	NOUN
eurjchem-2259	31	33	:	:	PUNCT
eurjchem-2259	31	34	10.5155	10.5155	NUM
eurjchem-2259	31	35	/	/	SYM
eurjchem-2259	31	36	eurjchem.13.3.319	eurjchem.13.3.319	NOUN
eurjchem-2259	31	37	-	-	PUNCT
eurjchem-2259	31	38	326.2259	326.2259	NUM
eurjchem-2259	31	39	table	table	NOUN
eurjchem-2259	31	40	2	2	NUM
eurjchem-2259	31	41	.	.	PUNCT
eurjchem-2259	32	1	values	value	NOUN
eurjchem-2259	32	2	of	of	ADP
eurjchem-2259	32	3	molecular	molecular	ADJ
eurjchem-2259	32	4	descriptors	descriptor	NOUN
eurjchem-2259	32	5	calculated	calculate	VERB
eurjchem-2259	32	6	for	for	ADP
eurjchem-2259	32	7	the	the	DET
eurjchem-2259	32	8	training	training	NOUN
eurjchem-2259	32	9	set	set	NOUN
eurjchem-2259	32	10	*	*	NOUN
eurjchem-2259	32	11	.	.	PUNCT
eurjchem-2259	33	1	compound	compound	NOUN
eurjchem-2259	33	2	dipole	dipole	NOUN
eurjchem-2259	33	3	moment	moment	NOUN
eurjchem-2259	33	4	,	,	PUNCT
eurjchem-2259	33	5	d	d	PROPN
eurjchem-2259	33	6	etotal	etotal	NOUN
eurjchem-2259	33	7	,	,	PUNCT
eurjchem-2259	33	8	kcal	kcal	PROPN
eurjchem-2259	33	9	/	/	SYM
eurjchem-2259	33	10	mol	mol	ADP
eurjchem-2259	33	11	e	e	NOUN
eurjchem-2259	33	12	,	,	PUNCT
eurjchem-2259	33	13	kcal	kcal	PROPN
eurjchem-2259	33	14	/	/	SYM
eurjchem-2259	33	15	mol	mol	NOUN
eurjchem-2259	33	16	etor	etor	NOUN
eurjchem-2259	33	17	,	,	PUNCT
eurjchem-2259	33	18	kcal	kcal	PROPN
eurjchem-2259	33	19	/	/	SYM
eurjchem-2259	33	20	mol	mol	ADP
eurjchem-2259	33	21	a	a	PROPN
eurjchem-2259	33	22	-	-	PUNCT
eurjchem-2259	33	23	acc	acc	NOUN
eurjchem-2259	33	24	a	a	PROPN
eurjchem-2259	33	25	-	-	PUNCT
eurjchem-2259	33	26	don	don	ADJ
eurjchem-2259	33	27	mw	mw	NOUN
eurjchem-2259	33	28	,	,	PUNCT
eurjchem-2259	33	29	g	g	NOUN
eurjchem-2259	33	30	/	/	SYM
eurjchem-2259	33	31	mol	mol	ADP
eurjchem-2259	33	32	hvsa	hvsa	ADJ
eurjchem-2259	33	33	log	log	NOUN
eurjchem-2259	33	34	p(o	p(o	NOUN
eurjchem-2259	33	35	/	/	SYM
eurjchem-2259	33	36	w	w	NOUN
eurjchem-2259	33	37	)	)	PUNCT
eurjchem-2259	33	38	1	1	NUM
eurjchem-2259	33	39	1.515	1.515	NUM
eurjchem-2259	33	40	-83153.773	-83153.773	PUNCT
eurjchem-2259	34	1	57.982	57.982	NUM
eurjchem-2259	34	2	2.660	2.660	NUM
eurjchem-2259	34	3	4.000	4.000	NUM
eurjchem-2259	34	4	1.000	1.000	NUM
eurjchem-2259	34	5	275.308	275.308	NUM
eurjchem-2259	34	6	264.303	264.303	NUM
eurjchem-2259	34	7	0.621	0.621	NUM
eurjchem-2259	34	8	2	2	NUM
eurjchem-2259	34	9	1.282	1.282	NUM
eurjchem-2259	34	10	-86747.898	-86747.898	NUM
eurjchem-2259	34	11	55.685	55.685	NUM
eurjchem-2259	34	12	-0.516	-0.516	NUM
eurjchem-2259	34	13	4.000	4.000	NUM
eurjchem-2259	34	14	1.000	1.000	NUM
eurjchem-2259	34	15	289.335	289.335	NUM
eurjchem-2259	34	16	281.535	281.535	NUM
eurjchem-2259	34	17	0.962	0.962	NUM
eurjchem-2259	34	18	3	3	NUM
eurjchem-2259	34	19	1.646	1.646	NUM
eurjchem-2259	34	20	-102128.05	-102128.05	ADP
eurjchem-2259	34	21	82.666	82.666	NUM
eurjchem-2259	34	22	3.463	3.463	NUM
eurjchem-2259	34	23	4.000	4.000	NUM
eurjchem-2259	34	24	1.000	1.000	NUM
eurjchem-2259	34	25	351.406	351.406	NUM
eurjchem-2259	34	26	334.802	334.802	NUM
eurjchem-2259	34	27	2.409	2.409	NUM
eurjchem-2259	34	28	4	4	NUM
eurjchem-2259	34	29	1.981	1.981	NUM
eurjchem-2259	34	30	-98533.953	-98533.953	ADP
eurjchem-2259	34	31	84.380	84.380	NUM
eurjchem-2259	34	32	2.105	2.105	NUM
eurjchem-2259	34	33	4.000	4.000	NUM
eurjchem-2259	34	34	1.000	1.000	NUM
eurjchem-2259	34	35	337.379	337.379	NUM
eurjchem-2259	34	36	317.569	317.569	NUM
eurjchem-2259	34	37	2.275	2.275	NUM
eurjchem-2259	34	38	5	5	NUM
eurjchem-2259	34	39	1.556	1.556	NUM
eurjchem-2259	34	40	-102129.97	-102129.97	NOUN
eurjchem-2259	34	41	84.620	84.620	NUM
eurjchem-2259	34	42	3.244	3.244	NUM
eurjchem-2259	34	43	4.000	4.000	NUM
eurjchem-2259	34	44	1.000	1.000	NUM
eurjchem-2259	34	45	351.406	351.406	NUM
eurjchem-2259	34	46	334.802	334.802	NUM
eurjchem-2259	34	47	2.573	2.573	NUM
eurjchem-2259	34	48	7	7	NUM
eurjchem-2259	34	49	1.175	1.175	NUM
eurjchem-2259	34	50	-109505.21	-109505.21	PROPN
eurjchem-2259	34	51	91.910	91.910	NUM
eurjchem-2259	34	52	1.518	1.518	NUM
eurjchem-2259	34	53	5.000	5.000	NUM
eurjchem-2259	34	54	1.000	1.000	NUM
eurjchem-2259	34	55	367.405	367.405	NUM
eurjchem-2259	34	56	347.301	347.301	NUM
eurjchem-2259	34	57	2.268	2.268	NUM
eurjchem-2259	34	58	8	8	NUM
eurjchem-2259	34	59	1.373	1.373	NUM
eurjchem-2259	34	60	-75766.867	-75766.867	PUNCT
eurjchem-2259	34	61	28.839	28.839	NUM
eurjchem-2259	34	62	-0.913	-0.913	NUM
eurjchem-2259	34	63	2.000	2.000	NUM
eurjchem-2259	34	64	1.000	1.000	NUM
eurjchem-2259	34	65	268.320	268.320	NUM
eurjchem-2259	34	66	254.273	254.273	NUM
eurjchem-2259	34	67	1.762	1.762	NUM
eurjchem-2259	34	68	9	9	NUM
eurjchem-2259	34	69	0.575	0.575	NUM
eurjchem-2259	34	70	-91148.398	-91148.398	PUNCT
eurjchem-2259	34	71	55.477	55.477	NUM
eurjchem-2259	34	72	3.107	3.107	NUM
eurjchem-2259	34	73	2.000	2.000	NUM
eurjchem-2259	34	74	1.000	1.000	NUM
eurjchem-2259	34	75	330.391	330.391	NUM
eurjchem-2259	34	76	307.539	307.539	NUM
eurjchem-2259	34	77	3.209	3.209	NUM
eurjchem-2259	34	78	10	10	NUM
eurjchem-2259	34	79	1.082	1.082	NUM
eurjchem-2259	34	80	-87554.789	-87554.789	NUM
eurjchem-2259	34	81	55.431	55.431	NUM
eurjchem-2259	34	82	2.594	2.594	NUM
eurjchem-2259	34	83	2.000	2.000	NUM
eurjchem-2259	34	84	1.000	1.000	NUM
eurjchem-2259	34	85	316.364	316.364	NUM
eurjchem-2259	34	86	290.307	290.307	NUM
eurjchem-2259	34	87	3.075	3.075	NUM
eurjchem-2259	34	88	11	11	NUM
eurjchem-2259	34	89	1.803	1.803	NUM
eurjchem-2259	34	90	-98528.367	-98528.367	PUNCT
eurjchem-2259	34	91	65.436	65.436	NUM
eurjchem-2259	34	92	2.663	2.663	NUM
eurjchem-2259	34	93	3.000	3.000	NUM
eurjchem-2259	34	94	1.000	1.000	NUM
eurjchem-2259	34	95	346.390	346.390	NUM
eurjchem-2259	34	96	320.039	320.039	NUM
eurjchem-2259	34	97	3.031	3.031	NUM
eurjchem-2259	34	98	13	13	NUM
eurjchem-2259	34	99	1.081	1.081	NUM
eurjchem-2259	34	100	-98526.953	-98526.953	PUNCT
eurjchem-2259	34	101	62.793	62.793	NUM
eurjchem-2259	34	102	2.650	2.650	NUM
eurjchem-2259	34	103	3.000	3.000	NUM
eurjchem-2259	34	104	1.000	1.000	NUM
eurjchem-2259	34	105	346.390	346.390	NUM
eurjchem-2259	34	106	320.039	320.039	NUM
eurjchem-2259	34	107	3.068	3.068	NUM
eurjchem-2259	34	108	14	14	NUM
eurjchem-2259	34	109	3.334	3.334	NUM
eurjchem-2259	34	110	-88489.617	-88489.617	NUM
eurjchem-2259	34	111	35.376	35.376	NUM
eurjchem-2259	34	112	1.618	1.618	NUM
eurjchem-2259	34	113	3.000	3.000	NUM
eurjchem-2259	34	114	1.000	1.000	NUM
eurjchem-2259	34	115	315.764	315.764	NUM
eurjchem-2259	34	116	280.564	280.564	NUM
eurjchem-2259	34	117	1.189	1.189	NUM
eurjchem-2259	34	118	15	15	NUM
eurjchem-2259	34	119	3.278	3.278	NUM
eurjchem-2259	34	120	-92083.945	-92083.945	NUM
eurjchem-2259	34	121	33.123	33.123	NUM
eurjchem-2259	34	122	-1.529	-1.529	ADP
eurjchem-2259	34	123	3.000	3.000	NUM
eurjchem-2259	34	124	1.000	1.000	NUM
eurjchem-2259	34	125	329.791	329.791	NUM
eurjchem-2259	34	126	297.796	297.796	NUM
eurjchem-2259	34	127	1.530	1.530	NUM
eurjchem-2259	34	128	16	16	NUM
eurjchem-2259	34	129	3.725	3.725	NUM
eurjchem-2259	34	130	-107464.77	-107464.77	NUM
eurjchem-2259	34	131	59.373	59.373	NUM
eurjchem-2259	34	132	2.556	2.556	NUM
eurjchem-2259	34	133	3.000	3.000	NUM
eurjchem-2259	34	134	1.000	1.000	NUM
eurjchem-2259	34	135	391.862	391.862	NUM
eurjchem-2259	34	136	351.062	351.062	NUM
eurjchem-2259	34	137	2.977	2.977	NUM
eurjchem-2259	34	138	17	17	NUM
eurjchem-2259	34	139	2.671	2.671	NUM
eurjchem-2259	34	140	-81687.093	-81687.093	NUM
eurjchem-2259	34	141	39.118	39.118	NUM
eurjchem-2259	34	142	2.625	2.625	NUM
eurjchem-2259	34	143	4.000	4.000	NUM
eurjchem-2259	34	144	1.000	1.000	NUM
eurjchem-2259	34	145	282.307	282.307	NUM
eurjchem-2259	34	146	255.444	255.444	NUM
eurjchem-2259	34	147	-0.516	-0.516	NUM
eurjchem-2259	34	148	19	19	NUM
eurjchem-2259	34	149	2.693	2.693	NUM
eurjchem-2259	34	150	-85274.539	-85274.539	SYM
eurjchem-2259	34	151	44.899	44.899	NUM
eurjchem-2259	34	152	-0.677	-0.677	NUM
eurjchem-2259	34	153	4.000	4.000	NUM
eurjchem-2259	34	154	1.000	1.000	NUM
eurjchem-2259	34	155	296.334	296.334	NUM
eurjchem-2259	34	156	272.676	272.676	NUM
eurjchem-2259	34	157	-0.175	-0.175	SYM
eurjchem-2259	34	158	20	20	NUM
eurjchem-2259	34	159	3.306	3.306	NUM
eurjchem-2259	34	160	-100656.38	-100656.38	PROPN
eurjchem-2259	34	161	71.281	71.281	NUM
eurjchem-2259	34	162	3.465	3.465	NUM
eurjchem-2259	34	163	4.000	4.000	NUM
eurjchem-2259	34	164	1.000	1.000	NUM
eurjchem-2259	34	165	358.405	358.405	NUM
eurjchem-2259	34	166	325.942	325.942	NUM
eurjchem-2259	34	167	1.273	1.273	NUM
eurjchem-2259	34	168	21	21	NUM
eurjchem-2259	34	169	2.047	2.047	NUM
eurjchem-2259	34	170	-108038.72	-108038.72	NOUN
eurjchem-2259	34	171	76.969	76.969	NUM
eurjchem-2259	34	172	3.103	3.103	NUM
eurjchem-2259	34	173	5.000	5.000	NUM
eurjchem-2259	34	174	1.000	1.000	NUM
eurjchem-2259	34	175	374.404	374.404	NUM
eurjchem-2259	34	176	338.442	338.442	NUM
eurjchem-2259	34	177	1.132	1.132	NUM
eurjchem-2259	34	178	*	*	PUNCT
eurjchem-2259	34	179	total	total	ADJ
eurjchem-2259	34	180	energy	energy	NOUN
eurjchem-2259	34	181	(	(	PUNCT
eurjchem-2259	34	182	etotal	etotal	NOUN
eurjchem-2259	34	183	)	)	PUNCT
eurjchem-2259	34	184	,	,	PUNCT
eurjchem-2259	34	185	potential	potential	ADJ
eurjchem-2259	34	186	energy	energy	NOUN
eurjchem-2259	34	187	(	(	PUNCT
eurjchem-2259	34	188	e	e	NOUN
eurjchem-2259	34	189	)	)	PUNCT
eurjchem-2259	34	190	,	,	PUNCT
eurjchem-2259	34	191	torsion	torsion	NOUN
eurjchem-2259	34	192	energy	energy	NOUN
eurjchem-2259	34	193	(	(	PUNCT
eurjchem-2259	34	194	etor	etor	NOUN
eurjchem-2259	34	195	)	)	PUNCT
eurjchem-2259	34	196	,	,	PUNCT
eurjchem-2259	34	197	number	number	NOUN
eurjchem-2259	34	198	of	of	ADP
eurjchem-2259	34	199	h	h	NOUN
eurjchem-2259	34	200	-	-	PUNCT
eurjchem-2259	34	201	bond	bond	NOUN
eurjchem-2259	34	202	acceptor	acceptor	NOUN
eurjchem-2259	34	203	atoms	atom	NOUN
eurjchem-2259	34	204	(	(	PUNCT
eurjchem-2259	34	205	a	a	DET
eurjchem-2259	34	206	-	-	PUNCT
eurjchem-2259	34	207	acc	acc	NOUN
eurjchem-2259	34	208	)	)	PUNCT
eurjchem-2259	34	209	,	,	PUNCT
eurjchem-2259	34	210	number	number	NOUN
eurjchem-2259	34	211	of	of	ADP
eurjchem-2259	34	212	h	h	NOUN
eurjchem-2259	34	213	-	-	PUNCT
eurjchem-2259	34	214	bond	bond	NOUN
eurjchem-2259	34	215	donor	donor	NOUN
eurjchem-2259	34	216	atoms	atom	NOUN
eurjchem-2259	34	217	(	(	PUNCT
eurjchem-2259	34	218	a	a	DET
eurjchem-2259	34	219	-	-	PUNCT
eurjchem-2259	34	220	don	don	NOUN
eurjchem-2259	34	221	)	)	PUNCT
eurjchem-2259	34	222	,	,	PUNCT
eurjchem-2259	34	223	molecular	molecular	ADJ
eurjchem-2259	34	224	weight	weight	NOUN
eurjchem-2259	34	225	(	(	PUNCT
eurjchem-2259	34	226	mw	mw	NOUN
eurjchem-2259	34	227	)	)	PUNCT
eurjchem-2259	34	228	,	,	PUNCT
eurjchem-2259	34	229	total	total	ADJ
eurjchem-2259	34	230	hydrophobic	hydrophobic	NOUN
eurjchem-2259	34	231	vdw	vdw	PROPN
eurjchem-2259	34	232	surface	surface	NOUN
eurjchem-2259	34	233	area	area	NOUN
eurjchem-2259	34	234	(	(	PUNCT
eurjchem-2259	34	235	hvsa	hvsa	PROPN
eurjchem-2259	34	236	)	)	PUNCT
eurjchem-2259	34	237	,	,	PUNCT
eurjchem-2259	34	238	and	and	CCONJ
eurjchem-2259	34	239	log	log	VERB
eurjchem-2259	34	240	octanol	octanol	NOUN
eurjchem-2259	34	241	/	/	SYM
eurjchem-2259	34	242	water	water	NOUN
eurjchem-2259	34	243	partition	partition	NOUN
eurjchem-2259	34	244	coefficient	coefficient	NOUN
eurjchem-2259	34	245	log	log	VERB
eurjchem-2259	34	246	p(o	p(o	NOUN
eurjchem-2259	34	247	/	/	SYM
eurjchem-2259	34	248	w	w	NOUN
eurjchem-2259	34	249	)	)	PUNCT
eurjchem-2259	34	250	.	.	PUNCT
eurjchem-2259	35	1	table	table	NOUN
eurjchem-2259	36	1	3	3	NUM
eurjchem-2259	36	2	.	.	PUNCT
eurjchem-2259	37	1	statistical	statistical	ADJ
eurjchem-2259	37	2	parameters	parameter	NOUN
eurjchem-2259	37	3	used	use	VERB
eurjchem-2259	37	4	for	for	ADP
eurjchem-2259	37	5	statistical	statistical	ADJ
eurjchem-2259	37	6	quality	quality	NOUN
eurjchem-2259	37	7	of	of	ADP
eurjchem-2259	37	8	model	model	NOUN
eurjchem-2259	37	9	.	.	PUNCT
eurjchem-2259	38	1	r	r	NOUN
eurjchem-2259	38	2	r2	r2	PROPN
eurjchem-2259	38	3	q2	q2	PROPN
eurjchem-2259	38	4	s	s	PART
eurjchem-2259	38	5	f	f	PROPN
eurjchem-2259	38	6	rmse	rmse	PROPN
eurjchem-2259	38	7	p	p	NOUN
eurjchem-2259	38	8	-	-	PUNCT
eurjchem-2259	38	9	value	value	NOUN
eurjchem-2259	38	10	0.9693	0.9693	NUM
eurjchem-2259	38	11	0.9395	0.9395	NUM
eurjchem-2259	38	12	0.8744	0.8744	NUM
eurjchem-2259	38	13	0.0680	0.0680	NUM
eurjchem-2259	38	14	248.592	248.592	NUM
eurjchem-2259	38	15	0.0640	0.0640	NUM
eurjchem-2259	38	16	0.0000	0.0000	NUM
eurjchem-2259	38	17	2	2	NUM
eurjchem-2259	38	18	.	.	PUNCT
eurjchem-2259	38	19	experimental	experimental	ADJ
eurjchem-2259	38	20	2.1	2.1	NUM
eurjchem-2259	38	21	.	.	PUNCT
eurjchem-2259	38	22	qsar	qsar	PROPN
eurjchem-2259	38	23	studies	study	NOUN
eurjchem-2259	38	24	2.1.1	2.1.1	NUM
eurjchem-2259	38	25	.	.	PUNCT
eurjchem-2259	39	1	data	datum	NOUN
eurjchem-2259	39	2	set	set	VERB
eurjchem-2259	39	3	a	a	DET
eurjchem-2259	39	4	set	set	NOUN
eurjchem-2259	39	5	comprised	comprise	VERB
eurjchem-2259	39	6	of	of	ADP
eurjchem-2259	39	7	21	21	NUM
eurjchem-2259	39	8	derivatives	derivative	NOUN
eurjchem-2259	39	9	of	of	ADP
eurjchem-2259	39	10	pyrazole	pyrazole	NOUN
eurjchem-2259	39	11	containing	contain	VERB
eurjchem-2259	39	12	acetamide	acetamide	NOUN
eurjchem-2259	39	13	moiety	moiety	NOUN
eurjchem-2259	39	14	which	which	PRON
eurjchem-2259	39	15	showed	show	VERB
eurjchem-2259	39	16	antiproliferative	antiproliferative	ADJ
eurjchem-2259	39	17	activity	activity	NOUN
eurjchem-2259	39	18	against	against	ADP
eurjchem-2259	39	19	human	human	ADJ
eurjchem-2259	39	20	colorectal	colorectal	ADJ
eurjchem-2259	39	21	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2259	39	22	cell	cell	NOUN
eurjchem-2259	39	23	line	line	NOUN
eurjchem-2259	39	24	ht-29	ht-29	PUNCT
eurjchem-2259	39	25	reported	report	VERB
eurjchem-2259	39	26	by	by	ADP
eurjchem-2259	39	27	wang	wang	PROPN
eurjchem-2259	39	28	et	et	PROPN
eurjchem-2259	39	29	al	al	PROPN
eurjchem-2259	39	30	.	.	PUNCT
eurjchem-2259	40	1	[	[	X
eurjchem-2259	40	2	19	19	NUM
eurjchem-2259	40	3	]	]	PUNCT
eurjchem-2259	40	4	was	be	AUX
eurjchem-2259	40	5	used	use	VERB
eurjchem-2259	40	6	in	in	ADP
eurjchem-2259	40	7	the	the	DET
eurjchem-2259	40	8	present	present	ADJ
eurjchem-2259	40	9	study	study	NOUN
eurjchem-2259	40	10	,	,	PUNCT
eurjchem-2259	40	11	and	and	CCONJ
eurjchem-2259	40	12	their	their	PRON
eurjchem-2259	40	13	antiproliferative	antiproliferative	ADJ
eurjchem-2259	40	14	activities	activity	NOUN
eurjchem-2259	40	15	were	be	AUX
eurjchem-2259	40	16	expressed	express	VERB
eurjchem-2259	40	17	as	as	ADP
eurjchem-2259	40	18	ic50	ic50	PROPN
eurjchem-2259	40	19	values	value	NOUN
eurjchem-2259	40	20	half	half	NOUN
eurjchem-2259	40	21	maximal	maximal	ADJ
eurjchem-2259	40	22	inhibitory	inhibitory	ADJ
eurjchem-2259	40	23	concentration	concentration	NOUN
eurjchem-2259	40	24	.	.	PUNCT
eurjchem-2259	41	1	the	the	DET
eurjchem-2259	41	2	ic50	ic50	PROPN
eurjchem-2259	41	3	(	(	PUNCT
eurjchem-2259	41	4	μm	μm	NUM
eurjchem-2259	41	5	)	)	PUNCT
eurjchem-2259	41	6	values	value	NOUN
eurjchem-2259	41	7	were	be	AUX
eurjchem-2259	41	8	converted	convert	VERB
eurjchem-2259	41	9	into	into	ADP
eurjchem-2259	41	10	ic50	ic50	PROPN
eurjchem-2259	41	11	(	(	PUNCT
eurjchem-2259	41	12	m)and	m)and	NOUN
eurjchem-2259	41	13	then	then	ADV
eurjchem-2259	41	14	to	to	ADP
eurjchem-2259	41	15	pic50	pic50	ADJ
eurjchem-2259	41	16	values	value	NOUN
eurjchem-2259	41	17	using	use	VERB
eurjchem-2259	41	18	the	the	DET
eurjchem-2259	41	19	formula	formula	NOUN
eurjchem-2259	41	20	pic50	pic50	NOUN
eurjchem-2259	41	21	=	=	PUNCT
eurjchem-2259	41	22	log	log	NOUN
eurjchem-2259	42	1	[	[	X
eurjchem-2259	42	2	ic50	ic50	PROPN
eurjchem-2259	42	3	]	]	PUNCT
eurjchem-2259	42	4	.	.	PUNCT
eurjchem-2259	43	1	the	the	DET
eurjchem-2259	43	2	structures	structure	NOUN
eurjchem-2259	43	3	and	and	CCONJ
eurjchem-2259	43	4	pic50	pic50	ADJ
eurjchem-2259	43	5	values	value	NOUN
eurjchem-2259	43	6	of	of	ADP
eurjchem-2259	43	7	the	the	DET
eurjchem-2259	43	8	derivatives	derivative	NOUN
eurjchem-2259	43	9	of	of	ADP
eurjchem-2259	43	10	pyrazole	pyrazole	NOUN
eurjchem-2259	43	11	containing	contain	VERB
eurjchem-2259	43	12	the	the	DET
eurjchem-2259	43	13	acetamide	acetamide	NOUN
eurjchem-2259	43	14	moiety	moiety	NOUN
eurjchem-2259	43	15	are	be	AUX
eurjchem-2259	43	16	listed	list	VERB
eurjchem-2259	43	17	in	in	ADP
eurjchem-2259	43	18	table	table	NOUN
eurjchem-2259	43	19	1	1	NUM
eurjchem-2259	43	20	.	.	PUNCT
eurjchem-2259	44	1	the	the	DET
eurjchem-2259	44	2	chemical	chemical	NOUN
eurjchem-2259	44	3	structures	structure	NOUN
eurjchem-2259	44	4	of	of	ADP
eurjchem-2259	44	5	the	the	DET
eurjchem-2259	44	6	compounds	compound	NOUN
eurjchem-2259	44	7	done	done	AUX
eurjchem-2259	44	8	made	make	VERB
eurjchem-2259	44	9	using	use	VERB
eurjchem-2259	44	10	the	the	DET
eurjchem-2259	44	11	acd	acd	NOUN
eurjchem-2259	44	12	/	/	SYM
eurjchem-2259	44	13	chemsketch	chemsketch	NOUN
eurjchem-2259	44	14	v.14.01	v.14.01	DET
eurjchem-2259	44	15	software	software	NOUN
eurjchem-2259	44	16	(	(	PUNCT
eurjchem-2259	44	17	copyright	copyright	NOUN
eurjchem-2259	44	18	1994	1994	NUM
eurjchem-2259	44	19	-	-	SYM
eurjchem-2259	44	20	2013	2013	NUM
eurjchem-2259	44	21	,	,	PUNCT
eurjchem-2259	44	22	advanced	advanced	ADJ
eurjchem-2259	44	23	chemistry	chemistry	NOUN
eurjchem-2259	44	24	development	development	PROPN
eurjchem-2259	44	25	,	,	PUNCT
eurjchem-2259	44	26	inc	inc	PROPN
eurjchem-2259	44	27	.	.	PUNCT
eurjchem-2259	44	28	)	)	PUNCT
eurjchem-2259	45	1	[	[	X
eurjchem-2259	45	2	20	20	NUM
eurjchem-2259	45	3	]	]	PUNCT
eurjchem-2259	45	4	.	.	PUNCT
eurjchem-2259	46	1	molecular	molecular	ADJ
eurjchem-2259	46	2	modeling	modeling	NOUN
eurjchem-2259	46	3	was	be	AUX
eurjchem-2259	46	4	performed	perform	VERB
eurjchem-2259	46	5	using	use	VERB
eurjchem-2259	46	6	the	the	DET
eurjchem-2259	46	7	molecular	molecular	ADJ
eurjchem-2259	46	8	operating	operate	VERB
eurjchem-2259	46	9	environment	environment	NOUN
eurjchem-2259	46	10	software	software	NOUN
eurjchem-2259	46	11	package	package	NOUN
eurjchem-2259	46	12	(	(	PUNCT
eurjchem-2259	46	13	moe	moe	NOUN
eurjchem-2259	46	14	,	,	PUNCT
eurjchem-2259	46	15	v2009.10	v2009.10	NOUN
eurjchem-2259	46	16	;	;	PUNCT
eurjchem-2259	46	17	chemical	chemical	PROPN
eurjchem-2259	46	18	computing	computing	PROPN
eurjchem-2259	46	19	group	group	PROPN
eurjchem-2259	46	20	inc	inc	PROPN
eurjchem-2259	46	21	.	.	PUNCT
eurjchem-2259	46	22	)	)	PUNCT
eurjchem-2259	47	1	[	[	X
eurjchem-2259	47	2	21	21	NUM
eurjchem-2259	47	3	]	]	PUNCT
eurjchem-2259	47	4	.	.	PUNCT
eurjchem-2259	48	1	the	the	DET
eurjchem-2259	48	2	data	datum	NOUN
eurjchem-2259	48	3	set	set	VERB
eurjchem-2259	48	4	was	be	AUX
eurjchem-2259	48	5	randomly	randomly	ADV
eurjchem-2259	48	6	divided	divide	VERB
eurjchem-2259	48	7	into	into	ADP
eurjchem-2259	48	8	a	a	DET
eurjchem-2259	48	9	training	training	NOUN
eurjchem-2259	48	10	set	set	NOUN
eurjchem-2259	48	11	that	that	PRON
eurjchem-2259	48	12	comprises	comprise	VERB
eurjchem-2259	48	13	80	80	NUM
eurjchem-2259	48	14	%	%	NOUN
eurjchem-2259	48	15	of	of	ADP
eurjchem-2259	48	16	the	the	DET
eurjchem-2259	48	17	dataset	dataset	NOUN
eurjchem-2259	48	18	that	that	PRON
eurjchem-2259	48	19	was	be	AUX
eurjchem-2259	48	20	used	use	VERB
eurjchem-2259	48	21	to	to	PART
eurjchem-2259	48	22	build	build	VERB
eurjchem-2259	48	23	the	the	DET
eurjchem-2259	48	24	qsar	qsar	NOUN
eurjchem-2259	48	25	model	model	NOUN
eurjchem-2259	48	26	,	,	PUNCT
eurjchem-2259	48	27	while	while	SCONJ
eurjchem-2259	48	28	the	the	DET
eurjchem-2259	48	29	remaining	remain	VERB
eurjchem-2259	48	30	20	20	NUM
eurjchem-2259	48	31	%	%	NOUN
eurjchem-2259	48	32	of	of	ADP
eurjchem-2259	48	33	the	the	DET
eurjchem-2259	48	34	dataset	dataset	NOUN
eurjchem-2259	48	35	test	test	NOUN
eurjchem-2259	48	36	set	set	NOUN
eurjchem-2259	48	37	was	be	AUX
eurjchem-2259	48	38	used	use	VERB
eurjchem-2259	48	39	to	to	PART
eurjchem-2259	48	40	validate	validate	VERB
eurjchem-2259	48	41	the	the	DET
eurjchem-2259	48	42	qsar	qsar	NOUN
eurjchem-2259	48	43	model	model	NOUN
eurjchem-2259	48	44	(	(	PUNCT
eurjchem-2259	48	45	18	18	NUM
eurjchem-2259	48	46	and	and	CCONJ
eurjchem-2259	48	47	3	3	NUM
eurjchem-2259	48	48	molecules	molecule	NOUN
eurjchem-2259	48	49	,	,	PUNCT
eurjchem-2259	48	50	respectively	respectively	ADV
eurjchem-2259	48	51	)	)	PUNCT
eurjchem-2259	48	52	.	.	PUNCT
eurjchem-2259	49	1	2.1.2	2.1.2	X
eurjchem-2259	49	2	.	.	NOUN
eurjchem-2259	49	3	molecular	molecular	ADJ
eurjchem-2259	49	4	descriptor	descriptor	NOUN
eurjchem-2259	49	5	generation	generation	NOUN
eurjchem-2259	49	6	molecular	molecular	ADJ
eurjchem-2259	49	7	descriptors	descriptor	NOUN
eurjchem-2259	49	8	were	be	AUX
eurjchem-2259	49	9	calculated	calculate	VERB
eurjchem-2259	49	10	for	for	ADP
eurjchem-2259	49	11	each	each	DET
eurjchem-2259	49	12	molecule	molecule	NOUN
eurjchem-2259	49	13	after	after	SCONJ
eurjchem-2259	49	14	they	they	PRON
eurjchem-2259	49	15	were	be	AUX
eurjchem-2259	49	16	subjected	subject	VERB
eurjchem-2259	49	17	to	to	ADP
eurjchem-2259	49	18	energy	energy	NOUN
eurjchem-2259	49	19	minimization	minimization	NOUN
eurjchem-2259	49	20	,	,	PUNCT
eurjchem-2259	49	21	and	and	CCONJ
eurjchem-2259	49	22	these	these	DET
eurjchem-2259	49	23	descriptors	descriptor	NOUN
eurjchem-2259	49	24	include	include	VERB
eurjchem-2259	49	25	3d	3d	NUM
eurjchem-2259	49	26	descriptors	descriptor	NOUN
eurjchem-2259	49	27	(	(	PUNCT
eurjchem-2259	49	28	e.g.	e.g.	ADV
eurjchem-2259	49	29	,	,	PUNCT
eurjchem-2259	49	30	dipole	dipole	NOUN
eurjchem-2259	49	31	moment	moment	NOUN
eurjchem-2259	49	32	,	,	PUNCT
eurjchem-2259	49	33	total	total	ADJ
eurjchem-2259	49	34	energy	energy	NOUN
eurjchem-2259	49	35	,	,	PUNCT
eurjchem-2259	49	36	potential	potential	ADJ
eurjchem-2259	49	37	energy	energy	NOUN
eurjchem-2259	49	38	,	,	PUNCT
eurjchem-2259	49	39	and	and	CCONJ
eurjchem-2259	49	40	torsion	torsion	NOUN
eurjchem-2259	49	41	energy	energy	NOUN
eurjchem-2259	49	42	)	)	PUNCT
eurjchem-2259	49	43	and	and	CCONJ
eurjchem-2259	49	44	2d	2d	NUM
eurjchem-2259	49	45	descriptors	descriptor	NOUN
eurjchem-2259	49	46	(	(	PUNCT
eurjchem-2259	49	47	e.g.	e.g.	ADV
eurjchem-2259	49	48	,	,	PUNCT
eurjchem-2259	49	49	number	number	NOUN
eurjchem-2259	49	50	of	of	ADP
eurjchem-2259	49	51	h	h	NOUN
eurjchem-2259	49	52	-	-	PUNCT
eurjchem-2259	49	53	bond	bond	NOUN
eurjchem-2259	49	54	acceptor	acceptor	NOUN
eurjchem-2259	49	55	atoms	atom	NOUN
eurjchem-2259	49	56	,	,	PUNCT
eurjchem-2259	49	57	number	number	NOUN
eurjchem-2259	49	58	of	of	ADP
eurjchem-2259	49	59	h	h	NOUN
eurjchem-2259	49	60	-	-	PUNCT
eurjchem-2259	49	61	bond	bond	NOUN
eurjchem-2259	49	62	donor	donor	NOUN
eurjchem-2259	49	63	atoms	atom	NOUN
eurjchem-2259	49	64	,	,	PUNCT
eurjchem-2259	49	65	molecular	molecular	ADJ
eurjchem-2259	49	66	weight	weight	NOUN
eurjchem-2259	49	67	,	,	PUNCT
eurjchem-2259	49	68	total	total	ADJ
eurjchem-2259	49	69	hydrophobic	hydrophobic	NOUN
eurjchem-2259	49	70	van	van	PROPN
eurjchem-2259	49	71	der	der	NOUN
eurjchem-2259	49	72	waals	waal	NOUN
eurjchem-2259	49	73	(	(	PUNCT
eurjchem-2259	49	74	vdw	vdw	NOUN
eurjchem-2259	49	75	)	)	PUNCT
eurjchem-2259	49	76	surface	surface	NOUN
eurjchem-2259	49	77	area	area	NOUN
eurjchem-2259	49	78	,	,	PUNCT
eurjchem-2259	49	79	and	and	CCONJ
eurjchem-2259	49	80	log	log	VERB
eurjchem-2259	49	81	octanol	octanol	NOUN
eurjchem-2259	49	82	/	/	SYM
eurjchem-2259	49	83	water	water	NOUN
eurjchem-2259	49	84	partition	partition	NOUN
eurjchem-2259	49	85	coefficient	coefficient	NOUN
eurjchem-2259	49	86	)	)	PUNCT
eurjchem-2259	49	87	.	.	PUNCT
eurjchem-2259	50	1	these	these	DET
eurjchem-2259	50	2	descriptors	descriptor	NOUN
eurjchem-2259	50	3	were	be	AUX
eurjchem-2259	50	4	calculated	calculate	VERB
eurjchem-2259	50	5	using	use	VERB
eurjchem-2259	50	6	moe	moe	NOUN
eurjchem-2259	50	7	programs	program	NOUN
eurjchem-2259	50	8	.	.	PUNCT
eurjchem-2259	51	1	in	in	ADP
eurjchem-2259	51	2	order	order	NOUN
eurjchem-2259	51	3	to	to	PART
eurjchem-2259	51	4	select	select	VERB
eurjchem-2259	51	5	the	the	DET
eurjchem-2259	51	6	best	good	ADJ
eurjchem-2259	51	7	subset	subset	NOUN
eurjchem-2259	51	8	of	of	ADP
eurjchem-2259	51	9	descriptors	descriptor	NOUN
eurjchem-2259	51	10	,	,	PUNCT
eurjchem-2259	51	11	highly	highly	ADV
eurjchem-2259	51	12	correlated	correlate	VERB
eurjchem-2259	51	13	descriptors	descriptor	NOUN
eurjchem-2259	51	14	were	be	AUX
eurjchem-2259	51	15	excluded	exclude	VERB
eurjchem-2259	51	16	using	use	VERB
eurjchem-2259	51	17	correlation	correlation	NOUN
eurjchem-2259	51	18	matrix	matrix	NOUN
eurjchem-2259	51	19	then	then	ADV
eurjchem-2259	51	20	ratio	ratio	NOUN
eurjchem-2259	51	21	of	of	ADP
eurjchem-2259	51	22	molecules	molecule	NOUN
eurjchem-2259	51	23	to	to	ADP
eurjchem-2259	51	24	the	the	DET
eurjchem-2259	51	25	descriptors	descriptor	NOUN
eurjchem-2259	51	26	used	use	VERB
eurjchem-2259	51	27	is	be	AUX
eurjchem-2259	51	28	5:1	5:1	NUM
eurjchem-2259	51	29	.	.	PUNCT
eurjchem-2259	52	1	the	the	DET
eurjchem-2259	52	2	nine	nine	NUM
eurjchem-2259	52	3	descriptors	descriptor	NOUN
eurjchem-2259	52	4	used	use	VERB
eurjchem-2259	52	5	to	to	PART
eurjchem-2259	52	6	generate	generate	VERB
eurjchem-2259	52	7	the	the	DET
eurjchem-2259	52	8	qsar	qsar	NOUN
eurjchem-2259	52	9	model	model	NOUN
eurjchem-2259	52	10	are	be	AUX
eurjchem-2259	52	11	denoted	denote	VERB
eurjchem-2259	52	12	as	as	ADP
eurjchem-2259	52	13	dipole	dipole	NOUN
eurjchem-2259	52	14	moment	moment	NOUN
eurjchem-2259	52	15	,	,	PUNCT
eurjchem-2259	52	16	total	total	ADJ
eurjchem-2259	52	17	energy	energy	NOUN
eurjchem-2259	52	18	(	(	PUNCT
eurjchem-2259	52	19	etotal	etotal	NOUN
eurjchem-2259	52	20	)	)	PUNCT
eurjchem-2259	52	21	,	,	PUNCT
eurjchem-2259	52	22	potential	potential	ADJ
eurjchem-2259	52	23	energy	energy	NOUN
eurjchem-2259	52	24	(	(	PUNCT
eurjchem-2259	52	25	e	e	NOUN
eurjchem-2259	52	26	)	)	PUNCT
eurjchem-2259	52	27	,	,	PUNCT
eurjchem-2259	52	28	torsion	torsion	NOUN
eurjchem-2259	52	29	energy	energy	NOUN
eurjchem-2259	52	30	(	(	PUNCT
eurjchem-2259	52	31	etor	etor	NOUN
eurjchem-2259	52	32	)	)	PUNCT
eurjchem-2259	52	33	,	,	PUNCT
eurjchem-2259	52	34	number	number	NOUN
eurjchem-2259	52	35	of	of	ADP
eurjchem-2259	52	36	h	h	NOUN
eurjchem-2259	52	37	-	-	PUNCT
eurjchem-2259	52	38	bond	bond	NOUN
eurjchem-2259	52	39	acceptor	acceptor	NOUN
eurjchem-2259	52	40	atoms	atom	NOUN
eurjchem-2259	52	41	(	(	PUNCT
eurjchem-2259	52	42	a	a	DET
eurjchem-2259	52	43	-	-	PUNCT
eurjchem-2259	52	44	acc	acc	NOUN
eurjchem-2259	52	45	)	)	PUNCT
eurjchem-2259	52	46	,	,	PUNCT
eurjchem-2259	52	47	number	number	NOUN
eurjchem-2259	52	48	of	of	ADP
eurjchem-2259	52	49	h	h	NOUN
eurjchem-2259	52	50	-	-	PUNCT
eurjchem-2259	52	51	bond	bond	NOUN
eurjchem-2259	52	52	donor	donor	NOUN
eurjchem-2259	52	53	atoms	atom	NOUN
eurjchem-2259	52	54	(	(	PUNCT
eurjchem-2259	52	55	a	a	DET
eurjchem-2259	52	56	-	-	PUNCT
eurjchem-2259	52	57	don	don	NOUN
eurjchem-2259	52	58	)	)	PUNCT
eurjchem-2259	52	59	,	,	PUNCT
eurjchem-2259	52	60	molecular	molecular	ADJ
eurjchem-2259	52	61	weight	weight	NOUN
eurjchem-2259	52	62	(	(	PUNCT
eurjchem-2259	52	63	mw	mw	NOUN
eurjchem-2259	52	64	)	)	PUNCT
eurjchem-2259	52	65	,	,	PUNCT
eurjchem-2259	52	66	total	total	ADJ
eurjchem-2259	52	67	hydrophobic	hydrophobic	NOUN
eurjchem-2259	52	68	vdw	vdw	PROPN
eurjchem-2259	52	69	surface	surface	NOUN
eurjchem-2259	52	70	area	area	NOUN
eurjchem-2259	52	71	(	(	PUNCT
eurjchem-2259	52	72	hvsa	hvsa	PROPN
eurjchem-2259	52	73	)	)	PUNCT
eurjchem-2259	52	74	and	and	CCONJ
eurjchem-2259	52	75	log	log	VERB
eurjchem-2259	52	76	octanol	octanol	NOUN
eurjchem-2259	52	77	/	/	SYM
eurjchem-2259	52	78	water	water	NOUN
eurjchem-2259	52	79	partition	partition	NOUN
eurjchem-2259	52	80	coefficient	coefficient	NOUN
eurjchem-2259	52	81	log	log	VERB
eurjchem-2259	52	82	p(o	p(o	NOUN
eurjchem-2259	52	83	/	/	SYM
eurjchem-2259	52	84	w	w	NOUN
eurjchem-2259	52	85	)	)	PUNCT
eurjchem-2259	52	86	and	and	CCONJ
eurjchem-2259	52	87	are	be	AUX
eurjchem-2259	52	88	listed	list	VERB
eurjchem-2259	52	89	in	in	ADP
eurjchem-2259	52	90	table	table	NOUN
eurjchem-2259	52	91	2	2	NUM
eurjchem-2259	52	92	.	.	X
eurjchem-2259	52	93	2.1.3	2.1.3	NUM
eurjchem-2259	52	94	.	.	PUNCT
eurjchem-2259	52	95	qsar	qsar	PROPN
eurjchem-2259	52	96	model	model	PROPN
eurjchem-2259	52	97	development	development	NOUN
eurjchem-2259	52	98	the	the	DET
eurjchem-2259	52	99	correlation	correlation	NOUN
eurjchem-2259	52	100	of	of	ADP
eurjchem-2259	52	101	the	the	DET
eurjchem-2259	52	102	calculated	calculate	VERB
eurjchem-2259	52	103	descriptors	descriptor	NOUN
eurjchem-2259	52	104	with	with	ADP
eurjchem-2259	52	105	each	each	DET
eurjchem-2259	52	106	other	other	ADJ
eurjchem-2259	52	107	was	be	AUX
eurjchem-2259	52	108	calculated	calculate	VERB
eurjchem-2259	52	109	and	and	CCONJ
eurjchem-2259	52	110	collinear	collinear	ADJ
eurjchem-2259	52	111	descriptors	descriptor	NOUN
eurjchem-2259	52	112	were	be	AUX
eurjchem-2259	52	113	specified	specify	VERB
eurjchem-2259	52	114	,	,	PUNCT
eurjchem-2259	52	115	those	those	PRON
eurjchem-2259	52	116	with	with	ADP
eurjchem-2259	52	117	higher	high	ADJ
eurjchem-2259	52	118	correlation	correlation	NOUN
eurjchem-2259	52	119	towards	towards	ADP
eurjchem-2259	52	120	activity	activity	NOUN
eurjchem-2259	52	121	were	be	AUX
eurjchem-2259	52	122	retained	retain	VERB
eurjchem-2259	52	123	and	and	CCONJ
eurjchem-2259	52	124	the	the	DET
eurjchem-2259	52	125	others	other	NOUN
eurjchem-2259	52	126	were	be	AUX
eurjchem-2259	52	127	eliminated	eliminate	VERB
eurjchem-2259	52	128	.	.	PUNCT
eurjchem-2259	53	1	subsequently	subsequently	ADV
eurjchem-2259	53	2	,	,	PUNCT
eurjchem-2259	53	3	multiple	multiple	ADJ
eurjchem-2259	53	4	linear	linear	ADJ
eurjchem-2259	53	5	regression	regression	NOUN
eurjchem-2259	53	6	(	(	PUNCT
eurjchem-2259	53	7	mlr	mlr	NOUN
eurjchem-2259	53	8	)	)	PUNCT
eurjchem-2259	53	9	analysis	analysis	NOUN
eurjchem-2259	53	10	were	be	AUX
eurjchem-2259	53	11	performed	perform	VERB
eurjchem-2259	53	12	on	on	ADP
eurjchem-2259	53	13	the	the	DET
eurjchem-2259	53	14	training	training	NOUN
eurjchem-2259	53	15	set	set	NOUN
eurjchem-2259	53	16	.	.	PUNCT
eurjchem-2259	54	1	where	where	SCONJ
eurjchem-2259	54	2	calculated	calculate	VERB
eurjchem-2259	54	3	molecular	molecular	ADJ
eurjchem-2259	54	4	descriptors	descriptor	NOUN
eurjchem-2259	54	5	served	serve	VERB
eurjchem-2259	54	6	as	as	ADP
eurjchem-2259	54	7	an	an	DET
eurjchem-2259	54	8	independent	independent	ADJ
eurjchem-2259	54	9	variable	variable	NOUN
eurjchem-2259	54	10	and	and	CCONJ
eurjchem-2259	54	11	observed	observed	ADJ
eurjchem-2259	54	12	inhibition	inhibition	NOUN
eurjchem-2259	54	13	(	(	PUNCT
eurjchem-2259	54	14	pic50	pic50	NOUN
eurjchem-2259	54	15	)	)	PUNCT
eurjchem-2259	54	16	values	value	NOUN
eurjchem-2259	54	17	were	be	AUX
eurjchem-2259	54	18	used	use	VERB
eurjchem-2259	54	19	as	as	ADP
eurjchem-2259	54	20	a	a	DET
eurjchem-2259	54	21	dependent	dependent	ADJ
eurjchem-2259	54	22	variable	variable	NOUN
eurjchem-2259	54	23	.	.	PUNCT
eurjchem-2259	55	1	several	several	ADJ
eurjchem-2259	55	2	qsar	qsar	NOUN
eurjchem-2259	55	3	models	model	NOUN
eurjchem-2259	55	4	were	be	AUX
eurjchem-2259	55	5	developed	develop	VERB
eurjchem-2259	55	6	and	and	CCONJ
eurjchem-2259	55	7	the	the	DET
eurjchem-2259	55	8	resulting	result	VERB
eurjchem-2259	55	9	qsar	qsar	NOUN
eurjchem-2259	55	10	model	model	NOUN
eurjchem-2259	55	11	equation	equation	NOUN
eurjchem-2259	55	12	(	(	PUNCT
eurjchem-2259	55	13	1	1	X
eurjchem-2259	55	14	)	)	PUNCT
eurjchem-2259	55	15	showed	show	VERB
eurjchem-2259	55	16	a	a	DET
eurjchem-2259	55	17	high	high	ADJ
eurjchem-2259	55	18	regression	regression	NOUN
eurjchem-2259	55	19	coefficient	coefficient	NOUN
eurjchem-2259	55	20	.	.	PUNCT
eurjchem-2259	56	1	the	the	DET
eurjchem-2259	56	2	values	value	NOUN
eurjchem-2259	56	3	of	of	ADP
eurjchem-2259	56	4	the	the	DET
eurjchem-2259	56	5	regression	regression	NOUN
eurjchem-2259	56	6	coefficient	coefficient	NOUN
eurjchem-2259	56	7	and	and	CCONJ
eurjchem-2259	56	8	statistical	statistical	ADJ
eurjchem-2259	56	9	parameters	parameter	NOUN
eurjchem-2259	56	10	are	be	AUX
eurjchem-2259	56	11	listed	list	VERB
eurjchem-2259	56	12	in	in	ADP
eurjchem-2259	56	13	table	table	NOUN
eurjchem-2259	56	14	3	3	NUM
eurjchem-2259	56	15	.	.	PUNCT
eurjchem-2259	57	1	pic50	pic50	NOUN
eurjchem-2259	57	2	=	=	SYM
eurjchem-2259	57	3	1.94587	1.94587	NUM
eurjchem-2259	57	4	–	–	PUNCT
eurjchem-2259	57	5	0.00342	0.00342	NUM
eurjchem-2259	57	6	×	×	NOUN
eurjchem-2259	57	7	e	e	NOUN
eurjchem-2259	57	8	+	+	NOUN
eurjchem-2259	57	9	0.01671	0.01671	NUM
eurjchem-2259	57	10	×	×	NOUN
eurjchem-2259	57	11	etor	etor	NOUN
eurjchem-2259	57	12	+	+	CCONJ
eurjchem-2259	57	13	0.01030	0.01030	NUM
eurjchem-2259	57	14	×	×	NOUN
eurjchem-2259	57	15	hvsa	hvsa	ADJ
eurjchem-2259	57	16	–	–	PUNCT
eurjchem-2259	57	17	0.04588	0.04588	NUM
eurjchem-2259	57	18	×	×	NOUN
eurjchem-2259	57	19	log	log	NOUN
eurjchem-2259	57	20	p(o	p(o	NOUN
eurjchem-2259	57	21	/	/	SYM
eurjchem-2259	57	22	w	w	NOUN
eurjchem-2259	57	23	)	)	PUNCT
eurjchem-2259	57	24	(	(	PUNCT
eurjchem-2259	57	25	1	1	X
eurjchem-2259	57	26	)	)	PUNCT
eurjchem-2259	57	27	2.1.4	2.1.4	NUM
eurjchem-2259	57	28	.	.	PUNCT
eurjchem-2259	58	1	validation	validation	NOUN
eurjchem-2259	58	2	of	of	ADP
eurjchem-2259	58	3	the	the	DET
eurjchem-2259	58	4	qsar	qsar	NOUN
eurjchem-2259	58	5	model	model	NOUN
eurjchem-2259	58	6	to	to	PART
eurjchem-2259	58	7	evaluate	evaluate	VERB
eurjchem-2259	58	8	the	the	DET
eurjchem-2259	58	9	robustness	robustness	NOUN
eurjchem-2259	58	10	of	of	ADP
eurjchem-2259	58	11	the	the	DET
eurjchem-2259	58	12	model	model	NOUN
eurjchem-2259	58	13	,	,	PUNCT
eurjchem-2259	58	14	internal	internal	ADJ
eurjchem-2259	58	15	validation	validation	NOUN
eurjchem-2259	58	16	of	of	ADP
eurjchem-2259	58	17	the	the	DET
eurjchem-2259	58	18	training	training	NOUN
eurjchem-2259	58	19	set	set	NOUN
eurjchem-2259	58	20	was	be	AUX
eurjchem-2259	58	21	performed	perform	VERB
eurjchem-2259	58	22	using	use	VERB
eurjchem-2259	58	23	the	the	DET
eurjchem-2259	58	24	leave	leave	VERB
eurjchem-2259	58	25	-	-	PUNCT
eurjchem-2259	58	26	one	one	NUM
eurjchem-2259	58	27	-	-	PUNCT
eurjchem-2259	58	28	out	out	NOUN
eurjchem-2259	58	29	(	(	PUNCT
eurjchem-2259	58	30	loo	loo	NOUN
eurjchem-2259	58	31	)	)	PUNCT
eurjchem-2259	58	32	cross	cross	ADJ
eurjchem-2259	58	33	-	-	ADJ
eurjchem-2259	58	34	validation	validation	ADJ
eurjchem-2259	58	35	technique	technique	NOUN
eurjchem-2259	58	36	.	.	PUNCT
eurjchem-2259	59	1	in	in	ADP
eurjchem-2259	59	2	this	this	DET
eurjchem-2259	59	3	technique	technique	NOUN
eurjchem-2259	59	4	,	,	PUNCT
eurjchem-2259	59	5	one	one	NUM
eurjchem-2259	59	6	compound	compound	NOUN
eurjchem-2259	59	7	is	be	AUX
eurjchem-2259	59	8	eliminated	eliminate	VERB
eurjchem-2259	59	9	from	from	ADP
eurjchem-2259	59	10	the	the	DET
eurjchem-2259	59	11	data	datum	NOUN
eurjchem-2259	59	12	set	set	VERB
eurjchem-2259	59	13	at	at	ADP
eurjchem-2259	59	14	random	random	ADJ
eurjchem-2259	59	15	in	in	ADP
eurjchem-2259	59	16	each	each	DET
eurjchem-2259	59	17	cycle	cycle	NOUN
eurjchem-2259	59	18	and	and	CCONJ
eurjchem-2259	59	19	the	the	DET
eurjchem-2259	59	20	model	model	NOUN
eurjchem-2259	59	21	is	be	AUX
eurjchem-2259	59	22	built	build	VERB
eurjchem-2259	59	23	using	use	VERB
eurjchem-2259	59	24	the	the	DET
eurjchem-2259	59	25	rest	rest	NOUN
eurjchem-2259	59	26	of	of	ADP
eurjchem-2259	59	27	the	the	DET
eurjchem-2259	59	28	compounds	compound	NOUN
eurjchem-2259	59	29	,	,	PUNCT
eurjchem-2259	59	30	the	the	DET
eurjchem-2259	59	31	crossvalidated	crossvalidate	VERB
eurjchem-2259	59	32	regression	regression	NOUN
eurjchem-2259	59	33	coefficient	coefficient	NOUN
eurjchem-2259	59	34	(	(	PUNCT
eurjchem-2259	59	35	q2	q2	NOUN
eurjchem-2259	59	36	)	)	PUNCT
eurjchem-2259	59	37	values	value	NOUN
eurjchem-2259	59	38	were	be	AUX
eurjchem-2259	59	39	thereafter	thereafter	ADV
eurjchem-2259	59	40	calculated	calculate	VERB
eurjchem-2259	59	41	according	accord	VERB
eurjchem-2259	59	42	to	to	ADP
eurjchem-2259	59	43	equation	equation	NOUN
eurjchem-2259	59	44	(	(	PUNCT
eurjchem-2259	59	45	1	1	NUM
eurjchem-2259	59	46	)	)	PUNCT
eurjchem-2259	59	47	.	.	PUNCT
eurjchem-2259	60	1	external	external	ADJ
eurjchem-2259	60	2	validation	validation	NOUN
eurjchem-2259	60	3	was	be	AUX
eurjchem-2259	60	4	performed	perform	VERB
eurjchem-2259	60	5	to	to	PART
eurjchem-2259	60	6	determine	determine	VERB
eurjchem-2259	60	7	the	the	DET
eurjchem-2259	60	8	predictive	predictive	ADJ
eurjchem-2259	60	9	capacity	capacity	NOUN
eurjchem-2259	60	10	of	of	ADP
eurjchem-2259	60	11	the	the	DET
eurjchem-2259	60	12	developed	develop	VERB
eurjchem-2259	60	13	model	model	NOUN
eurjchem-2259	60	14	by	by	ADP
eurjchem-2259	60	15	its	its	PRON
eurjchem-2259	60	16	application	application	NOUN
eurjchem-2259	60	17	to	to	PART
eurjchem-2259	60	18	predict	predict	VERB
eurjchem-2259	60	19	the	the	DET
eurjchem-2259	60	20	values	value	NOUN
eurjchem-2259	60	21	of	of	ADP
eurjchem-2259	60	22	the	the	DET
eurjchem-2259	60	23	test	test	NOUN
eurjchem-2259	60	24	set	set	NOUN
eurjchem-2259	60	25	.	.	PUNCT
eurjchem-2259	61	1	the	the	DET
eurjchem-2259	61	2	observed	observe	VERB
eurjchem-2259	61	3	activities	activity	NOUN
eurjchem-2259	61	4	and	and	CCONJ
eurjchem-2259	61	5	those	those	PRON
eurjchem-2259	61	6	calculated	calculate	VERB
eurjchem-2259	61	7	by	by	ADP
eurjchem-2259	61	8	qsar	qsar	NOUN
eurjchem-2259	61	9	model	model	NOUN
eurjchem-2259	61	10	(	(	PUNCT
eurjchem-2259	61	11	equation	equation	NOUN
eurjchem-2259	61	12	(	(	PUNCT
eurjchem-2259	61	13	1	1	NUM
eurjchem-2259	61	14	)	)	PUNCT
eurjchem-2259	61	15	)	)	PUNCT
eurjchem-2259	61	16	for	for	ADP
eurjchem-2259	61	17	the	the	DET
eurjchem-2259	61	18	training	training	NOUN
eurjchem-2259	61	19	set	set	NOUN
eurjchem-2259	61	20	and	and	CCONJ
eurjchem-2259	61	21	test	test	NOUN
eurjchem-2259	61	22	set	set	VERB
eurjchem-2259	61	23	were	be	AUX
eurjchem-2259	61	24	presented	present	VERB
eurjchem-2259	61	25	in	in	ADP
eurjchem-2259	61	26	tables	table	NOUN
eurjchem-2259	61	27	4	4	NUM
eurjchem-2259	61	28	and	and	CCONJ
eurjchem-2259	61	29	5	5	NUM
eurjchem-2259	61	30	.	.	X
eurjchem-2259	61	31	2.1.5	2.1.5	NUM
eurjchem-2259	61	32	.	.	PUNCT
eurjchem-2259	61	33	predict	predict	VERB
eurjchem-2259	61	34	the	the	DET
eurjchem-2259	61	35	activity	activity	NOUN
eurjchem-2259	61	36	of	of	ADP
eurjchem-2259	61	37	designed	design	VERB
eurjchem-2259	61	38	3,5	3,5	NUM
eurjchem-2259	61	39	-	-	PUNCT
eurjchem-2259	61	40	dimethylpyrazole	dimethylpyrazole	ADJ
eurjchem-2259	61	41	derivatives	derivative	NOUN
eurjchem-2259	61	42	(	(	PUNCT
eurjchem-2259	61	43	22	22	NUM
eurjchem-2259	61	44	-	-	SYM
eurjchem-2259	61	45	36	36	NUM
eurjchem-2259	61	46	)	)	PUNCT
eurjchem-2259	61	47	the	the	DET
eurjchem-2259	61	48	chemical	chemical	NOUN
eurjchem-2259	61	49	structures	structure	NOUN
eurjchem-2259	61	50	of	of	ADP
eurjchem-2259	61	51	the	the	DET
eurjchem-2259	61	52	3,5	3,5	NUM
eurjchem-2259	61	53	-	-	PUNCT
eurjchem-2259	61	54	dimethylpyrazole	dimethylpyrazole	ADJ
eurjchem-2259	61	55	derivatives	derivative	NOUN
eurjchem-2259	61	56	designed	design	VERB
eurjchem-2259	61	57	(	(	PUNCT
eurjchem-2259	61	58	22	22	NUM
eurjchem-2259	61	59	-	-	SYM
eurjchem-2259	61	60	36	36	NUM
eurjchem-2259	61	61	)	)	PUNCT
eurjchem-2259	61	62	were	be	AUX
eurjchem-2259	61	63	carried	carry	VERB
eurjchem-2259	61	64	out	out	ADP
eurjchem-2259	61	65	using	use	VERB
eurjchem-2259	61	66	the	the	DET
eurjchem-2259	61	67	acd	acd	NOUN
eurjchem-2259	61	68	/	/	SYM
eurjchem-2259	61	69	chemsketch	chemsketch	NOUN
eurjchem-2259	61	70	,	,	PUNCT
eurjchem-2259	61	71	the	the	DET
eurjchem-2259	61	72	qsar	qsar	NOUN
eurjchem-2259	61	73	model	model	NOUN
eurjchem-2259	61	74	developed	develop	VERB
eurjchem-2259	61	75	(	(	PUNCT
eurjchem-2259	61	76	equation	equation	NOUN
eurjchem-2259	61	77	(	(	PUNCT
eurjchem-2259	61	78	1	1	NUM
eurjchem-2259	61	79	)	)	PUNCT
eurjchem-2259	61	80	)	)	PUNCT
eurjchem-2259	61	81	was	be	AUX
eurjchem-2259	61	82	used	use	VERB
eurjchem-2259	61	83	to	to	PART
eurjchem-2259	61	84	predict	predict	VERB
eurjchem-2259	61	85	their	their	PRON
eurjchem-2259	61	86	activity	activity	NOUN
eurjchem-2259	61	87	against	against	ADP
eurjchem-2259	61	88	the	the	DET
eurjchem-2259	61	89	human	human	ADJ
eurjchem-2259	61	90	colorectal	colorectal	ADJ
eurjchem-2259	61	91	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2259	61	92	cell	cell	NOUN
eurjchem-2259	61	93	line	line	NOUN
eurjchem-2259	61	94	(	(	PUNCT
eurjchem-2259	61	95	ht-29	ht-29	NUM
eurjchem-2259	61	96	)	)	PUNCT
eurjchem-2259	61	97	.	.	PUNCT
eurjchem-2259	62	1	the	the	DET
eurjchem-2259	62	2	predicted	predict	VERB
eurjchem-2259	62	3	activity	activity	NOUN
eurjchem-2259	62	4	expressed	express	VERB
eurjchem-2259	62	5	as	as	ADP
eurjchem-2259	62	6	pic50	pic50	NOUN
eurjchem-2259	62	7	along	along	ADP
eurjchem-2259	62	8	with	with	ADP
eurjchem-2259	62	9	the	the	DET
eurjchem-2259	62	10	structures	structure	NOUN
eurjchem-2259	62	11	reported	report	VERB
eurjchem-2259	62	12	in	in	ADP
eurjchem-2259	62	13	table	table	NOUN
eurjchem-2259	62	14	6	6	NUM
eurjchem-2259	62	15	.	.	SYM
eurjchem-2259	62	16	322	322	NUM
eurjchem-2259	62	17	mohamed	mohame	VERB
eurjchem-2259	62	18	et	et	PROPN
eurjchem-2259	62	19	al	al	PROPN
eurjchem-2259	62	20	.	.	PUNCT
eurjchem-2259	62	21	/	/	SYM
eurjchem-2259	62	22	european	european	PROPN
eurjchem-2259	62	23	journal	journal	PROPN
eurjchem-2259	62	24	of	of	ADP
eurjchem-2259	62	25	chemistry	chemistry	NOUN
eurjchem-2259	62	26	13	13	NUM
eurjchem-2259	62	27	(	(	PUNCT
eurjchem-2259	62	28	3	3	NUM
eurjchem-2259	62	29	)	)	PUNCT
eurjchem-2259	62	30	(	(	PUNCT
eurjchem-2259	62	31	2022	2022	NUM
eurjchem-2259	62	32	)	)	PUNCT
eurjchem-2259	62	33	319	319	NUM
eurjchem-2259	62	34	-	-	SYM
eurjchem-2259	62	35	326	326	NUM
eurjchem-2259	62	36	2022	2022	NUM
eurjchem-2259	62	37	–	–	PUNCT
eurjchem-2259	62	38	european	european	ADJ
eurjchem-2259	62	39	journal	journal	NOUN
eurjchem-2259	62	40	of	of	ADP
eurjchem-2259	62	41	chemistry	chemistry	NOUN
eurjchem-2259	62	42	–	–	PUNCT
eurjchem-2259	62	43	cc	cc	NOUN
eurjchem-2259	62	44	by	by	ADP
eurjchem-2259	62	45	nc	nc	PROPN
eurjchem-2259	62	46	–	–	PUNCT
eurjchem-2259	62	47	doi	doi	NOUN
eurjchem-2259	62	48	:	:	PUNCT
eurjchem-2259	62	49	10.5155	10.5155	NUM
eurjchem-2259	62	50	/	/	SYM
eurjchem-2259	62	51	eurjchem.13.3.319	eurjchem.13.3.319	NOUN
eurjchem-2259	62	52	-	-	PUNCT
eurjchem-2259	62	53	326.2259	326.2259	NUM
eurjchem-2259	62	54	table	table	NOUN
eurjchem-2259	62	55	4	4	NUM
eurjchem-2259	62	56	.	.	PUNCT
eurjchem-2259	62	57	experimental	experimental	ADJ
eurjchem-2259	62	58	and	and	CCONJ
eurjchem-2259	62	59	predicted	predict	VERB
eurjchem-2259	62	60	pic50	pic50	NOUN
eurjchem-2259	62	61	for	for	ADP
eurjchem-2259	62	62	training	training	NOUN
eurjchem-2259	62	63	set	set	NOUN
eurjchem-2259	62	64	and	and	CCONJ
eurjchem-2259	62	65	cross	cross	NOUN
eurjchem-2259	62	66	-	-	NOUN
eurjchem-2259	62	67	validation	validation	NOUN
eurjchem-2259	62	68	against	against	ADP
eurjchem-2259	62	69	human	human	ADJ
eurjchem-2259	62	70	colorectal	colorectal	ADJ
eurjchem-2259	62	71	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2259	62	72	cell	cell	NOUN
eurjchem-2259	62	73	line	line	NOUN
eurjchem-2259	62	74	(	(	PUNCT
eurjchem-2259	62	75	ht-29	ht-29	NUM
eurjchem-2259	62	76	)	)	PUNCT
eurjchem-2259	62	77	.	.	PUNCT
eurjchem-2259	63	1	compound	compound	PROPN
eurjchem-2259	63	2	pic50exp	pic50exp	PROPN
eurjchem-2259	63	3	.	.	PUNCT
eurjchem-2259	63	4	pic50pred	pic50pre	VERB
eurjchem-2259	63	5	.	.	PUNCT
eurjchem-2259	64	1	residuals	residual	NOUN
eurjchem-2259	64	2	cvpred	cvpre	VERB
eurjchem-2259	64	3	.	.	PUNCT
eurjchem-2259	65	1	residuals	residual	NOUN
eurjchem-2259	65	2	1	1	NUM
eurjchem-2259	65	3	4.480	4.480	NUM
eurjchem-2259	65	4	4.486	4.486	NUM
eurjchem-2259	65	5	-0.006	-0.006	NOUN
eurjchem-2259	65	6	4.489	4.489	NUM
eurjchem-2259	65	7	-0.009	-0.009	SYM
eurjchem-2259	65	8	2	2	NUM
eurjchem-2259	65	9	4.590	4.590	NUM
eurjchem-2259	65	10	4.602	4.602	NUM
eurjchem-2259	65	11	-0.012	-0.012	NUM
eurjchem-2259	65	12	4.607	4.607	NUM
eurjchem-2259	65	13	-0.017	-0.017	ADP
eurjchem-2259	65	14	3	3	NUM
eurjchem-2259	65	15	5.070	5.070	NUM
eurjchem-2259	65	16	5.059	5.059	NUM
eurjchem-2259	65	17	0.011	0.011	NUM
eurjchem-2259	65	18	5.057	5.057	NUM
eurjchem-2259	65	19	0.013	0.013	NUM
eurjchem-2259	65	20	4	4	NUM
eurjchem-2259	65	21	4.940	4.940	NUM
eurjchem-2259	65	22	4.859	4.859	NUM
eurjchem-2259	65	23	0.081	0.081	NUM
eurjchem-2259	65	24	4.831	4.831	NUM
eurjchem-2259	65	25	0.109	0.109	NUM
eurjchem-2259	65	26	5	5	NUM
eurjchem-2259	65	27	5.060	5.060	NUM
eurjchem-2259	65	28	5.041	5.041	NUM
eurjchem-2259	65	29	0.019	0.019	NUM
eurjchem-2259	65	30	5.038	5.038	NUM
eurjchem-2259	65	31	0.023	0.023	NUM
eurjchem-2259	65	32	7	7	NUM
eurjchem-2259	65	33	5.100	5.100	NUM
eurjchem-2259	65	34	5.130	5.130	NUM
eurjchem-2259	65	35	-0.030	-0.030	NUM
eurjchem-2259	65	36	5.146	5.146	NUM
eurjchem-2259	65	37	-0.046	-0.046	NOUN
eurjchem-2259	65	38	8	8	NUM
eurjchem-2259	65	39	4.300	4.300	NUM
eurjchem-2259	65	40	4.370	4.370	NUM
eurjchem-2259	65	41	-0.070	-0.070	NUM
eurjchem-2259	65	42	4.411	4.411	NUM
eurjchem-2259	65	43	-0.111	-0.111	NOUN
eurjchem-2259	65	44	9	9	NUM
eurjchem-2259	65	45	4.910	4.910	NUM
eurjchem-2259	65	46	4.828	4.828	NUM
eurjchem-2259	65	47	0.082	0.082	NUM
eurjchem-2259	65	48	4.803	4.803	NUM
eurjchem-2259	65	49	0.107	0.107	NUM
eurjchem-2259	65	50	10	10	NUM
eurjchem-2259	65	51	4.580	4.580	NUM
eurjchem-2259	65	52	4.649	4.649	NUM
eurjchem-2259	65	53	-0.069	-0.069	SYM
eurjchem-2259	65	54	4.676	4.676	NUM
eurjchem-2259	65	55	-0.096	-0.096	NOUN
eurjchem-2259	65	56	11	11	NUM
eurjchem-2259	65	57	4.890	4.890	NUM
eurjchem-2259	65	58	4.924	4.924	NUM
eurjchem-2259	65	59	-0.034	-0.034	NUM
eurjchem-2259	65	60	4.929	4.929	NUM
eurjchem-2259	65	61	-0.039	-0.039	NUM
eurjchem-2259	65	62	13	13	NUM
eurjchem-2259	65	63	4.990	4.990	NUM
eurjchem-2259	65	64	4.931	4.931	NUM
eurjchem-2259	65	65	0.060	0.060	NUM
eurjchem-2259	65	66	4.921	4.921	NUM
eurjchem-2259	65	67	0.069	0.069	NUM
eurjchem-2259	65	68	14	14	NUM
eurjchem-2259	65	69	4.650	4.650	NUM
eurjchem-2259	65	70	4.687	4.687	NUM
eurjchem-2259	65	71	-0.037	-0.037	NUM
eurjchem-2259	65	72	4.697	4.697	NUM
eurjchem-2259	65	73	-0.047	-0.047	NUM
eurjchem-2259	65	74	15	15	NUM
eurjchem-2259	65	75	4.890	4.890	NUM
eurjchem-2259	65	76	4.804	4.804	NUM
eurjchem-2259	65	77	0.086	0.086	NUM
eurjchem-2259	65	78	4.732	4.732	NUM
eurjchem-2259	65	79	0.158	0.158	NUM
eurjchem-2259	65	80	16	16	NUM
eurjchem-2259	65	81	5.240	5.240	NUM
eurjchem-2259	65	82	5.265	5.265	NUM
eurjchem-2259	65	83	-0.025	-0.025	NUM
eurjchem-2259	65	84	5.282	5.282	NUM
eurjchem-2259	65	85	-0.042	-0.042	NUM
eurjchem-2259	65	86	17	17	NUM
eurjchem-2259	66	1	4.600	4.600	NUM
eurjchem-2259	66	2	4.511	4.511	NUM
eurjchem-2259	66	3	0.090	0.090	NUM
eurjchem-2259	66	4	4.428	4.428	NUM
eurjchem-2259	66	5	0.173	0.173	NUM
eurjchem-2259	66	6	19	19	NUM
eurjchem-2259	66	7	4.570	4.570	NUM
eurjchem-2259	66	8	4.598	4.598	NUM
eurjchem-2259	66	9	-0.028	-0.028	NUM
eurjchem-2259	66	10	4.610	4.610	NUM
eurjchem-2259	66	11	-0.040	-0.040	NUM
eurjchem-2259	66	12	20	20	NUM
eurjchem-2259	66	13	4.900	4.900	NUM
eurjchem-2259	66	14	5.059	5.059	NUM
eurjchem-2259	66	15	-0.159	-0.159	NUM
eurjchem-2259	66	16	5.100	5.100	NUM
eurjchem-2259	66	17	-0.200	-0.200	NUM
eurjchem-2259	66	18	21	21	NUM
eurjchem-2259	66	19	5.210	5.210	NUM
eurjchem-2259	66	20	5.168	5.168	NUM
eurjchem-2259	66	21	0.042	0.042	NUM
eurjchem-2259	66	22	5.152	5.152	NUM
eurjchem-2259	66	23	0.058	0.058	NUM
eurjchem-2259	66	24	table	table	NOUN
eurjchem-2259	66	25	5	5	NUM
eurjchem-2259	66	26	.	.	PUNCT
eurjchem-2259	67	1	predicted	predict	VERB
eurjchem-2259	67	2	pic50	pic50	ADJ
eurjchem-2259	67	3	values	value	NOUN
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eurjchem-2259	67	5	the	the	DET
eurjchem-2259	67	6	test	test	NOUN
eurjchem-2259	67	7	set	set	VERB
eurjchem-2259	67	8	.	.	PUNCT
eurjchem-2259	68	1	compound	compound	PROPN
eurjchem-2259	68	2	pic50exp	pic50exp	PROPN
eurjchem-2259	68	3	.	.	PUNCT
eurjchem-2259	68	4	pic50pred	pic50pre	VERB
eurjchem-2259	68	5	.	.	PUNCT
eurjchem-2259	69	1	residuals	residual	VERB
eurjchem-2259	69	2	6	6	NUM
eurjchem-2259	69	3	5.030	5.030	NUM
eurjchem-2259	69	4	5.132	5.132	NUM
eurjchem-2259	69	5	-0.102	-0.102	NUM
eurjchem-2259	69	6	12	12	NUM
eurjchem-2259	69	7	4.620	4.620	NUM
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eurjchem-2259	69	10	18	18	NUM
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eurjchem-2259	69	20	pic50	pic50	ADJ
eurjchem-2259	69	21	values	value	NOUN
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eurjchem-2259	69	24	-	-	PUNCT
eurjchem-2259	69	25	dimethylpyrazole	dimethylpyrazole	NOUN
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eurjchem-2259	69	29	human	human	ADJ
eurjchem-2259	69	30	colorectal	colorectal	ADJ
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eurjchem-2259	69	32	cell	cell	NOUN
eurjchem-2259	69	33	line	line	NOUN
eurjchem-2259	69	34	(	(	PUNCT
eurjchem-2259	69	35	ht-29	ht-29	NUM
eurjchem-2259	69	36	)	)	PUNCT
eurjchem-2259	69	37	.	.	PUNCT
eurjchem-2259	70	1	n	n	CCONJ
eurjchem-2259	70	2	n	n	PRON
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eurjchem-2259	70	8	r1	r1	PROPN
eurjchem-2259	70	9	r2	r2	PROPN
eurjchem-2259	70	10	pic50pred	pic50pre	VERB
eurjchem-2259	70	11	.	.	PUNCT
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eurjchem-2259	71	2	br	br	PROPN
eurjchem-2259	71	3	n	n	ADP
eurjchem-2259	71	4	n	n	ADV
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eurjchem-2259	71	6	23	23	NUM
eurjchem-2259	71	7	br	br	NOUN
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eurjchem-2259	71	9	24	24	NUM
eurjchem-2259	71	10	h2n	h2n	PROPN
eurjchem-2259	71	11	o	o	NOUN
eurjchem-2259	72	1	o	o	NOUN
eurjchem-2259	72	2	s	s	VERB
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eurjchem-2259	72	4	25	25	NUM
eurjchem-2259	72	5	o	o	NOUN
eurjchem-2259	72	6	o	o	X
eurjchem-2259	72	7	s	s	NOUN
eurjchem-2259	73	1	h	h	NOUN
eurjchem-2259	73	2	n	n	NOUN
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eurjchem-2259	73	4	o	o	X
eurjchem-2259	73	5	n	n	ADP
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eurjchem-2259	73	9	h3c	h3c	VERB
eurjchem-2259	73	10	o	o	X
eurjchem-2259	73	11	n	n	CCONJ
eurjchem-2259	73	12	n	n	NOUN
eurjchem-2259	73	13	h	h	NOUN
eurjchem-2259	73	14	n	n	ADV
eurjchem-2259	73	15	o	o	NOUN
eurjchem-2259	73	16	o	o	X
eurjchem-2259	73	17	s	s	VERB
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eurjchem-2259	73	20	n	n	CCONJ
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eurjchem-2259	73	22	s	s	NOUN
eurjchem-2259	73	23	o	o	NOUN
eurjchem-2259	73	24	o	o	X
eurjchem-2259	73	25	h2n	h2n	PROPN
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eurjchem-2259	73	27	28	28	NUM
eurjchem-2259	73	28	br	br	ADP
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eurjchem-2259	73	31	h2n	h2n	NOUN
eurjchem-2259	74	1	o	o	NOUN
eurjchem-2259	74	2	o	o	NOUN
eurjchem-2259	74	3	s	s	PROPN
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eurjchem-2259	74	5	30	30	NUM
eurjchem-2259	74	6	o	o	NOUN
eurjchem-2259	75	1	o	o	X
eurjchem-2259	75	2	s	s	NOUN
eurjchem-2259	75	3	h	h	NOUN
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eurjchem-2259	75	5	h3c	h3c	VERB
eurjchem-2259	75	6	o	o	PROPN
eurjchem-2259	75	7	n	n	CCONJ
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eurjchem-2259	76	1	o	o	X
eurjchem-2259	76	2	n	n	CCONJ
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eurjchem-2259	76	4	h	h	NOUN
eurjchem-2259	77	1	n	n	ADV
eurjchem-2259	78	1	o	o	NOUN
eurjchem-2259	78	2	o	o	X
eurjchem-2259	78	3	s	s	PART
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eurjchem-2259	78	6	n	n	CCONJ
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eurjchem-2259	78	8	s	s	PART
eurjchem-2259	78	9	o	o	NOUN
eurjchem-2259	78	10	o	o	NOUN
eurjchem-2259	79	1	n	n	CCONJ
eurjchem-2259	79	2	h	h	NOUN
eurjchem-2259	80	1	no	no	INTJ
eurjchem-2259	80	2	h3c	h3c	VERB
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eurjchem-2259	80	5	br	br	NOUN
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eurjchem-2259	80	7	34	34	NUM
eurjchem-2259	80	8	h2n	h2n	PROPN
eurjchem-2259	81	1	o	o	NOUN
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eurjchem-2259	82	2	s	s	PROPN
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eurjchem-2259	83	3	o	o	NOUN
eurjchem-2259	83	4	o	o	X
eurjchem-2259	83	5	s	s	NOUN
eurjchem-2259	83	6	h	h	NOUN
eurjchem-2259	84	1	n	n	NOUN
eurjchem-2259	84	2	h3c	h3c	VERB
eurjchem-2259	84	3	o	o	PROPN
eurjchem-2259	84	4	n	n	CCONJ
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eurjchem-2259	84	7	ch3o	ch3o	ADJ
eurjchem-2259	84	8	h3c	h3c	VERB
eurjchem-2259	84	9	o	o	X
eurjchem-2259	84	10	n	n	CCONJ
eurjchem-2259	84	11	n	n	NOUN
eurjchem-2259	84	12	h	h	NOUN
eurjchem-2259	85	1	n	n	ADV
eurjchem-2259	86	1	o	o	NOUN
eurjchem-2259	86	2	o	o	X
eurjchem-2259	86	3	s	s	PROPN
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eurjchem-2259	86	9	/	/	SYM
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eurjchem-2259	86	15	(	(	PUNCT
eurjchem-2259	86	16	3	3	NUM
eurjchem-2259	86	17	)	)	PUNCT
eurjchem-2259	86	18	(	(	PUNCT
eurjchem-2259	86	19	2022	2022	NUM
eurjchem-2259	86	20	)	)	PUNCT
eurjchem-2259	86	21	319	319	NUM
eurjchem-2259	86	22	-	-	SYM
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eurjchem-2259	86	26	–	–	PUNCT
eurjchem-2259	86	27	european	european	ADJ
eurjchem-2259	86	28	journal	journal	NOUN
eurjchem-2259	86	29	of	of	ADP
eurjchem-2259	86	30	chemistry	chemistry	NOUN
eurjchem-2259	86	31	–	–	PUNCT
eurjchem-2259	86	32	cc	cc	NOUN
eurjchem-2259	86	33	by	by	ADP
eurjchem-2259	86	34	nc	nc	PROPN
eurjchem-2259	86	35	–	–	PUNCT
eurjchem-2259	86	36	doi	doi	NOUN
eurjchem-2259	86	37	:	:	PUNCT
eurjchem-2259	86	38	10.5155	10.5155	NUM
eurjchem-2259	86	39	/	/	SYM
eurjchem-2259	86	40	eurjchem.13.3.319	eurjchem.13.3.319	NOUN
eurjchem-2259	86	41	-	-	PUNCT
eurjchem-2259	86	42	326.2259	326.2259	NUM
eurjchem-2259	86	43	table	table	NOUN
eurjchem-2259	86	44	7	7	NUM
eurjchem-2259	86	45	.	.	PUNCT
eurjchem-2259	86	46	binding	bind	VERB
eurjchem-2259	86	47	scores	score	NOUN
eurjchem-2259	86	48	and	and	CCONJ
eurjchem-2259	86	49	interactions	interaction	NOUN
eurjchem-2259	86	50	of	of	ADP
eurjchem-2259	86	51	the	the	DET
eurjchem-2259	86	52	designed	design	VERB
eurjchem-2259	86	53	3,5	3,5	NUM
eurjchem-2259	86	54	-	-	PUNCT
eurjchem-2259	86	55	dimethyl	dimethyl	NOUN
eurjchem-2259	86	56	-	-	PUNCT
eurjchem-2259	86	57	pyrazole	pyrazole	NOUN
eurjchem-2259	86	58	derivatives	derivative	NOUN
eurjchem-2259	86	59	(	(	PUNCT
eurjchem-2259	86	60	22	22	NUM
eurjchem-2259	86	61	-	-	SYM
eurjchem-2259	86	62	36	36	NUM
eurjchem-2259	86	63	)	)	PUNCT
eurjchem-2259	86	64	docked	dock	VERB
eurjchem-2259	86	65	on	on	ADP
eurjchem-2259	86	66	the	the	DET
eurjchem-2259	86	67	active	active	ADJ
eurjchem-2259	86	68	site	site	NOUN
eurjchem-2259	86	69	of	of	ADP
eurjchem-2259	86	70	(	(	PUNCT
eurjchem-2259	86	71	5jrq	5jrq	PROPN
eurjchem-2259	86	72	)	)	PUNCT
eurjchem-2259	86	73	.	.	PUNCT
eurjchem-2259	87	1	compound	compound	PROPN
eurjchem-2259	87	2	s	s	X
eurjchem-2259	87	3	(	(	PUNCT
eurjchem-2259	87	4	kcal	kcal	PROPN
eurjchem-2259	87	5	/	/	SYM
eurjchem-2259	87	6	mol	mol	NOUN
eurjchem-2259	87	7	)	)	PUNCT
eurjchem-2259	87	8	amino	amino	NOUN
eurjchem-2259	87	9	acid	acid	NOUN
eurjchem-2259	87	10	interaction	interaction	NOUN
eurjchem-2259	87	11	type	type	NOUN
eurjchem-2259	87	12	of	of	ADP
eurjchem-2259	87	13	interaction	interaction	NOUN
eurjchem-2259	87	14	22	22	NUM
eurjchem-2259	87	15	-6.087	-6.087	NOUN
eurjchem-2259	87	16	phe583	phe583	NOUN
eurjchem-2259	87	17	arene	arene	NOUN
eurjchem-2259	87	18	arene	arene	NOUN
eurjchem-2259	87	19	interaction	interaction	NOUN
eurjchem-2259	87	20	23	23	NUM
eurjchem-2259	87	21	-9.438	-9.438	NOUN
eurjchem-2259	88	1	no	no	DET
eurjchem-2259	88	2	interaction	interaction	NOUN
eurjchem-2259	88	3	24	24	NUM
eurjchem-2259	88	4	-9.175	-9.175	NOUN
eurjchem-2259	88	5	thr529	thr529	PROPN
eurjchem-2259	88	6	phe583	phe583	PROPN
eurjchem-2259	88	7	hydrogen	hydrogen	NOUN
eurjchem-2259	88	8	bond	bond	NOUN
eurjchem-2259	88	9	arene	arene	NOUN
eurjchem-2259	88	10	arene	arene	NOUN
eurjchem-2259	88	11	interaction	interaction	NOUN
eurjchem-2259	88	12	25	25	NUM
eurjchem-2259	88	13	-9.924	-9.924	NOUN
eurjchem-2259	88	14	phe583	phe583	NOUN
eurjchem-2259	88	15	arene	arene	NOUN
eurjchem-2259	88	16	arene	arene	NOUN
eurjchem-2259	88	17	interaction	interaction	NOUN
eurjchem-2259	88	18	26	26	NUM
eurjchem-2259	88	19	-8.528	-8.528	PUNCT
eurjchem-2259	88	20	lys483	lys483	PROPN
eurjchem-2259	88	21	phe583	phe583	PROPN
eurjchem-2259	88	22	arene	arene	NOUN
eurjchem-2259	88	23	cation	cation	NOUN
eurjchem-2259	88	24	interaction	interaction	NOUN
eurjchem-2259	88	25	arene	arene	NOUN
eurjchem-2259	88	26	arene	arene	NOUN
eurjchem-2259	88	27	interaction	interaction	NOUN
eurjchem-2259	88	28	27	27	NUM
eurjchem-2259	88	29	-2.714	-2.714	NOUN
eurjchem-2259	88	30	gly596	gly596	PROPN
eurjchem-2259	88	31	lys483	lys483	PROPN
eurjchem-2259	88	32	phe583	phe583	PROPN
eurjchem-2259	88	33	hydrogen	hydrogen	NOUN
eurjchem-2259	88	34	bond	bond	NOUN
eurjchem-2259	88	35	arene	arene	NOUN
eurjchem-2259	88	36	cation	cation	NOUN
eurjchem-2259	88	37	interaction	interaction	NOUN
eurjchem-2259	88	38	arene	arene	NOUN
eurjchem-2259	88	39	arene	arene	NOUN
eurjchem-2259	88	40	interaction	interaction	NOUN
eurjchem-2259	88	41	28	28	NUM
eurjchem-2259	88	42	-3.594	-3.594	NOUN
eurjchem-2259	88	43	gly596	gly596	PROPN
eurjchem-2259	88	44	lys483	lys483	PROPN
eurjchem-2259	88	45	phe583	phe583	PROPN
eurjchem-2259	88	46	hydrogen	hydrogen	NOUN
eurjchem-2259	88	47	bond	bond	NOUN
eurjchem-2259	88	48	arene	arene	NOUN
eurjchem-2259	88	49	cation	cation	NOUN
eurjchem-2259	88	50	interaction	interaction	NOUN
eurjchem-2259	88	51	arene	arene	NOUN
eurjchem-2259	88	52	arene	arene	NOUN
eurjchem-2259	88	53	interaction	interaction	NOUN
eurjchem-2259	88	54	29	29	NUM
eurjchem-2259	88	55	-4.358	-4.358	NOUN
eurjchem-2259	88	56	lys483	lys483	PROPN
eurjchem-2259	88	57	phe583	phe583	PROPN
eurjchem-2259	88	58	arene	arene	NOUN
eurjchem-2259	88	59	cation	cation	NOUN
eurjchem-2259	88	60	interaction	interaction	NOUN
eurjchem-2259	88	61	arene	arene	NOUN
eurjchem-2259	88	62	arene	arene	NOUN
eurjchem-2259	88	63	interaction	interaction	NOUN
eurjchem-2259	88	64	30	30	NUM
eurjchem-2259	88	65	-6.082	-6.082	PUNCT
eurjchem-2259	88	66	lys483	lys483	PROPN
eurjchem-2259	88	67	phe583	phe583	PROPN
eurjchem-2259	88	68	arene	arene	NOUN
eurjchem-2259	88	69	cation	cation	NOUN
eurjchem-2259	88	70	interaction	interaction	NOUN
eurjchem-2259	88	71	arene	arene	NOUN
eurjchem-2259	88	72	arene	arene	NOUN
eurjchem-2259	88	73	interaction	interaction	NOUN
eurjchem-2259	88	74	31	31	NUM
eurjchem-2259	88	75	-5.932	-5.932	PUNCT
eurjchem-2259	88	76	lys483	lys483	PROPN
eurjchem-2259	88	77	phe583	phe583	PROPN
eurjchem-2259	88	78	arene	arene	NOUN
eurjchem-2259	88	79	arene	arene	NOUN
eurjchem-2259	88	80	interaction	interaction	NOUN
eurjchem-2259	88	81	arene	arene	NOUN
eurjchem-2259	88	82	arene	arene	NOUN
eurjchem-2259	88	83	interaction	interaction	NOUN
eurjchem-2259	88	84	32	32	NUM
eurjchem-2259	88	85	7.929	7.929	NUM
eurjchem-2259	88	86	lys483	lys483	PROPN
eurjchem-2259	88	87	phe583	phe583	PROPN
eurjchem-2259	88	88	hydrogen	hydrogen	NOUN
eurjchem-2259	88	89	bond	bond	NOUN
eurjchem-2259	88	90	arene	arene	NOUN
eurjchem-2259	88	91	arene	arene	NOUN
eurjchem-2259	88	92	interaction	interaction	NOUN
eurjchem-2259	88	93	33	33	NUM
eurjchem-2259	88	94	11.112	11.112	NUM
eurjchem-2259	88	95	lys483	lys483	PROPN
eurjchem-2259	88	96	phe583	phe583	PROPN
eurjchem-2259	88	97	arene	arene	NOUN
eurjchem-2259	88	98	cation	cation	NOUN
eurjchem-2259	88	99	interaction	interaction	NOUN
eurjchem-2259	88	100	arene	arene	NOUN
eurjchem-2259	88	101	arene	arene	NOUN
eurjchem-2259	88	102	interaction	interaction	NOUN
eurjchem-2259	88	103	34	34	NUM
eurjchem-2259	88	104	11.500	11.500	NUM
eurjchem-2259	88	105	lys483	lys483	PROPN
eurjchem-2259	88	106	phe583	phe583	PROPN
eurjchem-2259	88	107	arene	arene	NOUN
eurjchem-2259	88	108	cation	cation	NOUN
eurjchem-2259	88	109	interaction	interaction	NOUN
eurjchem-2259	88	110	arene	arene	NOUN
eurjchem-2259	88	111	arene	arene	NOUN
eurjchem-2259	88	112	interaction	interaction	NOUN
eurjchem-2259	88	113	35	35	NUM
eurjchem-2259	88	114	23.017	23.017	NUM
eurjchem-2259	88	115	asp594	asp594	PROPN
eurjchem-2259	88	116	lys483	lys483	PROPN
eurjchem-2259	88	117	lys483	lys483	PROPN
eurjchem-2259	88	118	phe583	phe583	PROPN
eurjchem-2259	88	119	hydrogen	hydrogen	NOUN
eurjchem-2259	88	120	bond	bond	NOUN
eurjchem-2259	88	121	arene	arene	NOUN
eurjchem-2259	88	122	cation	cation	NOUN
eurjchem-2259	88	123	interaction	interaction	NOUN
eurjchem-2259	88	124	arene	arene	NOUN
eurjchem-2259	88	125	cation	cation	NOUN
eurjchem-2259	88	126	interaction	interaction	NOUN
eurjchem-2259	88	127	arene	arene	NOUN
eurjchem-2259	88	128	arene	arene	NOUN
eurjchem-2259	88	129	interaction	interaction	NOUN
eurjchem-2259	88	130	36	36	NUM
eurjchem-2259	88	131	18.432	18.432	NUM
eurjchem-2259	88	132	thr529	thr529	PROPN
eurjchem-2259	88	133	asp594	asp594	PROPN
eurjchem-2259	88	134	lys483	lys483	PROPN
eurjchem-2259	88	135	hydrogen	hydrogen	NOUN
eurjchem-2259	88	136	bond	bond	NOUN
eurjchem-2259	88	137	arene	arene	NOUN
eurjchem-2259	88	138	cation	cation	NOUN
eurjchem-2259	88	139	interaction	interaction	NOUN
eurjchem-2259	88	140	arene	arene	NOUN
eurjchem-2259	88	141	cation	cation	NOUN
eurjchem-2259	88	142	interaction	interaction	NOUN
eurjchem-2259	88	143	figure	figure	NOUN
eurjchem-2259	88	144	1	1	NUM
eurjchem-2259	88	145	.	.	PUNCT
eurjchem-2259	88	146	predicted	predict	VERB
eurjchem-2259	88	147	versus	versus	ADP
eurjchem-2259	88	148	experimental	experimental	ADJ
eurjchem-2259	88	149	pic50	pic50	ADJ
eurjchem-2259	88	150	values	value	NOUN
eurjchem-2259	88	151	of	of	ADP
eurjchem-2259	88	152	training	training	NOUN
eurjchem-2259	88	153	set	set	VERB
eurjchem-2259	88	154	against	against	ADP
eurjchem-2259	88	155	human	human	ADJ
eurjchem-2259	88	156	colorectal	colorectal	ADJ
eurjchem-2259	88	157	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2259	88	158	cell	cell	NOUN
eurjchem-2259	88	159	line	line	NOUN
eurjchem-2259	88	160	(	(	PUNCT
eurjchem-2259	88	161	ht-29	ht-29	NUM
eurjchem-2259	88	162	)	)	PUNCT
eurjchem-2259	88	163	.	.	PUNCT
eurjchem-2259	89	1	2.2	2.2	NUM
eurjchem-2259	89	2	.	.	PUNCT
eurjchem-2259	90	1	molecular	molecular	ADJ
eurjchem-2259	90	2	docking	dock	VERB
eurjchem-2259	90	3	the	the	DET
eurjchem-2259	90	4	docking	docking	NOUN
eurjchem-2259	90	5	simulation	simulation	NOUN
eurjchem-2259	90	6	was	be	AUX
eurjchem-2259	90	7	carried	carry	VERB
eurjchem-2259	90	8	out	out	ADP
eurjchem-2259	90	9	using	use	VERB
eurjchem-2259	90	10	the	the	DET
eurjchem-2259	90	11	moe	moe	NOUN
eurjchem-2259	90	12	program	program	NOUN
eurjchem-2259	90	13	[	[	X
eurjchem-2259	90	14	21	21	NUM
eurjchem-2259	90	15	]	]	PUNCT
eurjchem-2259	90	16	.	.	PUNCT
eurjchem-2259	91	1	for	for	ADP
eurjchem-2259	91	2	this	this	DET
eurjchem-2259	91	3	purpose	purpose	NOUN
eurjchem-2259	91	4	,	,	PUNCT
eurjchem-2259	91	5	the	the	DET
eurjchem-2259	91	6	structure	structure	NOUN
eurjchem-2259	91	7	of	of	ADP
eurjchem-2259	91	8	protein	protein	NOUN
eurjchem-2259	91	9	was	be	AUX
eurjchem-2259	91	10	obtained	obtain	VERB
eurjchem-2259	91	11	from	from	ADP
eurjchem-2259	91	12	protein	protein	NOUN
eurjchem-2259	91	13	data	datum	NOUN
eurjchem-2259	91	14	bank	bank	PROPN
eurjchem-2259	91	15	with	with	ADP
eurjchem-2259	91	16	pdb	pdb	PROPN
eurjchem-2259	91	17	code	code	PROPN
eurjchem-2259	91	18	(	(	PUNCT
eurjchem-2259	91	19	5jrq	5jrq	PROPN
eurjchem-2259	91	20	)	)	PUNCT
eurjchem-2259	92	1	[	[	X
eurjchem-2259	92	2	22	22	NUM
eurjchem-2259	92	3	]	]	PUNCT
eurjchem-2259	92	4	,	,	PUNCT
eurjchem-2259	92	5	structures	structure	NOUN
eurjchem-2259	92	6	of	of	ADP
eurjchem-2259	92	7	the	the	DET
eurjchem-2259	92	8	new	new	ADJ
eurjchem-2259	92	9	designed	design	VERB
eurjchem-2259	92	10	3,5	3,5	NUM
eurjchem-2259	92	11	-	-	PUNCT
eurjchem-2259	92	12	dimethylpyrazole	dimethylpyrazole	ADJ
eurjchem-2259	92	13	derivatives	derivative	NOUN
eurjchem-2259	92	14	(	(	PUNCT
eurjchem-2259	92	15	22	22	NUM
eurjchem-2259	92	16	-	-	SYM
eurjchem-2259	92	17	36	36	NUM
eurjchem-2259	92	18	)	)	PUNCT
eurjchem-2259	92	19	were	be	AUX
eurjchem-2259	92	20	build	build	VERB
eurjchem-2259	92	21	using	use	VERB
eurjchem-2259	92	22	acd	acd	NOUN
eurjchem-2259	92	23	/	/	SYM
eurjchem-2259	92	24	chemsketch	chemsketch	NOUN
eurjchem-2259	92	25	v.14.01	v.14.01	DET
eurjchem-2259	92	26	software	software	NOUN
eurjchem-2259	92	27	[	[	X
eurjchem-2259	92	28	20	20	NUM
eurjchem-2259	92	29	]	]	PUNCT
eurjchem-2259	92	30	then	then	ADV
eurjchem-2259	92	31	saved	save	VERB
eurjchem-2259	92	32	as	as	ADP
eurjchem-2259	92	33	mol	mol	ADP
eurjchem-2259	92	34	file	file	NOUN
eurjchem-2259	92	35	,	,	PUNCT
eurjchem-2259	92	36	then	then	ADV
eurjchem-2259	92	37	docking	dock	VERB
eurjchem-2259	92	38	simulation	simulation	NOUN
eurjchem-2259	92	39	was	be	AUX
eurjchem-2259	92	40	performed	perform	VERB
eurjchem-2259	92	41	.	.	PUNCT
eurjchem-2259	93	1	the	the	DET
eurjchem-2259	93	2	binding	bind	VERB
eurjchem-2259	93	3	score	score	NOUN
eurjchem-2259	93	4	(	(	PUNCT
eurjchem-2259	93	5	s	s	NOUN
eurjchem-2259	93	6	)	)	PUNCT
eurjchem-2259	93	7	of	of	ADP
eurjchem-2259	93	8	the	the	DET
eurjchem-2259	93	9	complexes	complex	NOUN
eurjchem-2259	93	10	and	and	CCONJ
eurjchem-2259	93	11	amino	amino	NOUN
eurjchem-2259	93	12	acid	acid	NOUN
eurjchem-2259	93	13	interactions	interaction	NOUN
eurjchem-2259	93	14	are	be	AUX
eurjchem-2259	93	15	listed	list	VERB
eurjchem-2259	93	16	in	in	ADP
eurjchem-2259	93	17	table	table	NOUN
eurjchem-2259	93	18	7	7	NUM
eurjchem-2259	93	19	.	.	SYM
eurjchem-2259	93	20	3	3	NUM
eurjchem-2259	93	21	.	.	NOUN
eurjchem-2259	93	22	results	result	NOUN
eurjchem-2259	93	23	and	and	CCONJ
eurjchem-2259	93	24	discussion	discussion	NOUN
eurjchem-2259	93	25	3.1	3.1	NUM
eurjchem-2259	93	26	.	.	PUNCT
eurjchem-2259	94	1	qsar	qsar	PROPN
eurjchem-2259	94	2	studies	study	NOUN
eurjchem-2259	94	3	in	in	ADP
eurjchem-2259	94	4	the	the	DET
eurjchem-2259	94	5	present	present	ADJ
eurjchem-2259	94	6	work	work	NOUN
eurjchem-2259	95	1	,	,	PUNCT
eurjchem-2259	95	2	the	the	DET
eurjchem-2259	95	3	structure	structure	NOUN
eurjchem-2259	95	4	-	-	PUNCT
eurjchem-2259	95	5	activity	activity	NOUN
eurjchem-2259	95	6	relationship	relationship	NOUN
eurjchem-2259	95	7	model	model	NOUN
eurjchem-2259	95	8	was	be	AUX
eurjchem-2259	95	9	developed	develop	VERB
eurjchem-2259	95	10	to	to	PART
eurjchem-2259	95	11	correlate	correlate	VERB
eurjchem-2259	95	12	the	the	DET
eurjchem-2259	95	13	structural	structural	ADJ
eurjchem-2259	95	14	characteristics	characteristic	NOUN
eurjchem-2259	95	15	with	with	ADP
eurjchem-2259	95	16	the	the	DET
eurjchem-2259	95	17	biological	biological	ADJ
eurjchem-2259	95	18	response	response	NOUN
eurjchem-2259	95	19	of	of	ADP
eurjchem-2259	95	20	the	the	DET
eurjchem-2259	95	21	compounds	compound	NOUN
eurjchem-2259	95	22	studied	study	VERB
eurjchem-2259	95	23	that	that	PRON
eurjchem-2259	95	24	had	have	VERB
eurjchem-2259	95	25	antiproliferative	antiproliferative	ADJ
eurjchem-2259	95	26	activity	activity	NOUN
eurjchem-2259	95	27	against	against	ADP
eurjchem-2259	95	28	the	the	DET
eurjchem-2259	95	29	human	human	ADJ
eurjchem-2259	95	30	colorectal	colorectal	ADJ
eurjchem-2259	95	31	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2259	95	32	cell	cell	NOUN
eurjchem-2259	95	33	line	line	NOUN
eurjchem-2259	95	34	ht-29	ht-29	X
eurjchem-2259	95	35	.	.	PUNCT
eurjchem-2259	96	1	the	the	DET
eurjchem-2259	96	2	developed	develop	VERB
eurjchem-2259	96	3	model	model	NOUN
eurjchem-2259	96	4	showed	show	VERB
eurjchem-2259	96	5	a	a	DET
eurjchem-2259	96	6	squared	squared	ADJ
eurjchem-2259	96	7	correlation	correlation	NOUN
eurjchem-2259	96	8	coefficient	coefficient	NOUN
eurjchem-2259	96	9	(	(	PUNCT
eurjchem-2259	96	10	r2	r2	PROPN
eurjchem-2259	96	11	=	=	SYM
eurjchem-2259	96	12	0.9395	0.9395	NUM
eurjchem-2259	96	13	)	)	PUNCT
eurjchem-2259	96	14	which	which	PRON
eurjchem-2259	96	15	indicates	indicate	VERB
eurjchem-2259	96	16	the	the	DET
eurjchem-2259	96	17	correlation	correlation	NOUN
eurjchem-2259	96	18	between	between	ADP
eurjchem-2259	96	19	the	the	DET
eurjchem-2259	96	20	activity	activity	NOUN
eurjchem-2259	96	21	(	(	PUNCT
eurjchem-2259	96	22	dependent	dependent	ADJ
eurjchem-2259	96	23	variable	variable	NOUN
eurjchem-2259	96	24	)	)	PUNCT
eurjchem-2259	96	25	the	the	DET
eurjchem-2259	96	26	molecular	molecular	ADJ
eurjchem-2259	96	27	descriptors	descriptor	NOUN
eurjchem-2259	96	28	(	(	PUNCT
eurjchem-2259	96	29	independent	independent	ADJ
eurjchem-2259	96	30	variable	variable	NOUN
eurjchem-2259	96	31	)	)	PUNCT
eurjchem-2259	96	32	for	for	ADP
eurjchem-2259	96	33	the	the	DET
eurjchem-2259	96	34	training	training	NOUN
eurjchem-2259	96	35	set	set	VERB
eurjchem-2259	96	36	data	datum	NOUN
eurjchem-2259	96	37	,	,	PUNCT
eurjchem-2259	96	38	and	and	CCONJ
eurjchem-2259	96	39	squared	square	VERB
eurjchem-2259	96	40	cross	cross	NOUN
eurjchem-2259	96	41	-	-	ADJ
eurjchem-2259	96	42	validation	validation	ADJ
eurjchem-2259	96	43	(	(	PUNCT
eurjchem-2259	96	44	q2	q2	NOUN
eurjchem-2259	96	45	=	=	SYM
eurjchem-2259	96	46	0.8744	0.8744	PROPN
eurjchem-2259	96	47	)	)	PUNCT
eurjchem-2259	96	48	which	which	PRON
eurjchem-2259	96	49	indicates	indicate	VERB
eurjchem-2259	96	50	that	that	SCONJ
eurjchem-2259	96	51	the	the	DET
eurjchem-2259	96	52	newly	newly	ADV
eurjchem-2259	96	53	developed	develop	VERB
eurjchem-2259	96	54	qsar	qsar	NOUN
eurjchem-2259	96	55	model	model	NOUN
eurjchem-2259	96	56	has	have	VERB
eurjchem-2259	96	57	a	a	DET
eurjchem-2259	96	58	good	good	ADJ
eurjchem-2259	96	59	prediction	prediction	NOUN
eurjchem-2259	96	60	.	.	PUNCT
eurjchem-2259	97	1	four	four	NUM
eurjchem-2259	97	2	molecular	molecular	ADJ
eurjchem-2259	97	3	descriptors	descriptor	NOUN
eurjchem-2259	97	4	denoted	denote	VERB
eurjchem-2259	97	5	as	as	ADP
eurjchem-2259	97	6	potential	potential	ADJ
eurjchem-2259	97	7	energy	energy	NOUN
eurjchem-2259	97	8	(	(	PUNCT
eurjchem-2259	97	9	e	e	NOUN
eurjchem-2259	97	10	)	)	PUNCT
eurjchem-2259	97	11	,	,	PUNCT
eurjchem-2259	97	12	torsion	torsion	NOUN
eurjchem-2259	97	13	energy	energy	NOUN
eurjchem-2259	97	14	(	(	PUNCT
eurjchem-2259	97	15	etor	etor	NOUN
eurjchem-2259	97	16	)	)	PUNCT
eurjchem-2259	97	17	,	,	PUNCT
eurjchem-2259	97	18	total	total	ADJ
eurjchem-2259	97	19	hydrophobic	hydrophobic	NOUN
eurjchem-2259	97	20	vdw	vdw	PROPN
eurjchem-2259	97	21	surface	surface	NOUN
eurjchem-2259	97	22	area	area	NOUN
eurjchem-2259	97	23	and	and	CCONJ
eurjchem-2259	97	24	log	log	VERB
eurjchem-2259	97	25	octanol	octanol	NOUN
eurjchem-2259	97	26	/	/	SYM
eurjchem-2259	97	27	water	water	NOUN
eurjchem-2259	97	28	partition	partition	NOUN
eurjchem-2259	97	29	coefficient	coefficient	NOUN
eurjchem-2259	97	30	log	log	VERB
eurjchem-2259	97	31	p(o	p(o	NOUN
eurjchem-2259	97	32	/	/	SYM
eurjchem-2259	97	33	w	w	NOUN
eurjchem-2259	97	34	)	)	PUNCT
eurjchem-2259	97	35	were	be	AUX
eurjchem-2259	97	36	significantly	significantly	ADV
eurjchem-2259	97	37	correlated	correlate	VERB
eurjchem-2259	97	38	with	with	ADP
eurjchem-2259	97	39	antiproliferative	antiproliferative	ADJ
eurjchem-2259	97	40	activity	activity	NOUN
eurjchem-2259	97	41	against	against	ADP
eurjchem-2259	97	42	the	the	DET
eurjchem-2259	97	43	human	human	ADJ
eurjchem-2259	97	44	colorectal	colorectal	ADJ
eurjchem-2259	97	45	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2259	97	46	cell	cell	NOUN
eurjchem-2259	97	47	line	line	NOUN
eurjchem-2259	97	48	ht-29	ht-29	X
eurjchem-2259	97	49	.	.	PUNCT
eurjchem-2259	98	1	equation	equation	NOUN
eurjchem-2259	98	2	(	(	PUNCT
eurjchem-2259	98	3	1	1	X
eurjchem-2259	98	4	)	)	PUNCT
eurjchem-2259	98	5	shows	show	VERB
eurjchem-2259	98	6	that	that	SCONJ
eurjchem-2259	98	7	among	among	ADP
eurjchem-2259	98	8	the	the	DET
eurjchem-2259	98	9	molecular	molecular	ADJ
eurjchem-2259	98	10	descriptors	descriptor	NOUN
eurjchem-2259	98	11	,	,	PUNCT
eurjchem-2259	98	12	etor	etor	NOUN
eurjchem-2259	98	13	and	and	CCONJ
eurjchem-2259	98	14	hvsa	hvsa	NOUN
eurjchem-2259	98	15	are	be	AUX
eurjchem-2259	98	16	positively	positively	ADV
eurjchem-2259	98	17	correlated	correlate	VERB
eurjchem-2259	98	18	,	,	PUNCT
eurjchem-2259	98	19	which	which	PRON
eurjchem-2259	98	20	means	mean	VERB
eurjchem-2259	98	21	that	that	SCONJ
eurjchem-2259	98	22	biological	biological	ADJ
eurjchem-2259	98	23	activity	activity	NOUN
eurjchem-2259	98	24	increases	increase	NOUN
eurjchem-2259	98	25	when	when	SCONJ
eurjchem-2259	98	26	the	the	DET
eurjchem-2259	98	27	values	value	NOUN
eurjchem-2259	98	28	of	of	ADP
eurjchem-2259	98	29	these	these	DET
eurjchem-2259	98	30	descriptors	descriptor	NOUN
eurjchem-2259	98	31	are	be	AUX
eurjchem-2259	98	32	positively	positively	ADV
eurjchem-2259	98	33	increased	increase	VERB
eurjchem-2259	98	34	.	.	PUNCT
eurjchem-2259	99	1	on	on	ADP
eurjchem-2259	99	2	the	the	DET
eurjchem-2259	99	3	other	other	ADJ
eurjchem-2259	99	4	hand	hand	NOUN
eurjchem-2259	99	5	,	,	PUNCT
eurjchem-2259	99	6	the	the	DET
eurjchem-2259	99	7	descriptor	descriptor	NOUN
eurjchem-2259	99	8	e	e	NOUN
eurjchem-2259	99	9	and	and	CCONJ
eurjchem-2259	99	10	log	log	VERB
eurjchem-2259	99	11	p(o	p(o	NOUN
eurjchem-2259	99	12	/	/	SYM
eurjchem-2259	99	13	w	w	NOUN
eurjchem-2259	99	14	)	)	PUNCT
eurjchem-2259	99	15	are	be	AUX
eurjchem-2259	99	16	negatively	negatively	ADV
eurjchem-2259	99	17	correlated	correlate	VERB
eurjchem-2259	99	18	with	with	ADP
eurjchem-2259	99	19	antiproliferative	antiproliferative	ADJ
eurjchem-2259	99	20	activity	activity	NOUN
eurjchem-2259	99	21	,	,	PUNCT
eurjchem-2259	99	22	that	that	PRON
eurjchem-2259	99	23	mean	mean	VERB
eurjchem-2259	99	24	the	the	DET
eurjchem-2259	99	25	biological	biological	ADJ
eurjchem-2259	99	26	activity	activity	NOUN
eurjchem-2259	99	27	decreases	decrease	VERB
eurjchem-2259	99	28	when	when	SCONJ
eurjchem-2259	99	29	the	the	DET
eurjchem-2259	99	30	value	value	NOUN
eurjchem-2259	99	31	of	of	ADP
eurjchem-2259	99	32	this	this	DET
eurjchem-2259	99	33	descriptor	descriptor	NOUN
eurjchem-2259	99	34	is	be	AUX
eurjchem-2259	99	35	increase	increase	NOUN
eurjchem-2259	99	36	.	.	PUNCT
eurjchem-2259	100	1	y	y	NOUN
eurjchem-2259	100	2	=	=	PUNCT
eurjchem-2259	101	1	0.9395x	0.9395x	NOUN
eurjchem-2259	102	1	+	+	NUM
eurjchem-2259	102	2	0.2924	0.2924	NUM
eurjchem-2259	102	3	r²	r²	NOUN
eurjchem-2259	102	4	=	=	PUNCT
eurjchem-2259	102	5	0.9395	0.9395	NUM
eurjchem-2259	102	6	4.20	4.20	NUM
eurjchem-2259	102	7	4.40	4.40	NUM
eurjchem-2259	102	8	4.60	4.60	NUM
eurjchem-2259	102	9	4.80	4.80	NUM
eurjchem-2259	102	10	5.00	5.00	NUM
eurjchem-2259	102	11	5.20	5.20	NUM
eurjchem-2259	102	12	5.40	5.40	NUM
eurjchem-2259	102	13	4.20	4.20	NUM
eurjchem-2259	102	14	4.40	4.40	NUM
eurjchem-2259	102	15	4.60	4.60	NUM
eurjchem-2259	102	16	4.80	4.80	NUM
eurjchem-2259	102	17	5.00	5.00	NUM
eurjchem-2259	102	18	5.20	5.20	NUM
eurjchem-2259	102	19	5.40	5.40	NUM
eurjchem-2259	102	20	pi	pi	NOUN
eurjchem-2259	102	21	c5	c5	PROPN
eurjchem-2259	102	22	0	0	PUNCT
eurjchem-2259	103	1	p	p	X
eurjchem-2259	103	2	re	re	PROPN
eurjchem-2259	103	3	d	d	PROPN
eurjchem-2259	103	4	pic50exp	pic50exp	PROPN
eurjchem-2259	103	5	324	324	NUM
eurjchem-2259	103	6	mohamed	mohame	VERB
eurjchem-2259	103	7	et	et	PROPN
eurjchem-2259	103	8	al	al	PROPN
eurjchem-2259	103	9	.	.	PUNCT
eurjchem-2259	103	10	/	/	SYM
eurjchem-2259	103	11	european	european	PROPN
eurjchem-2259	103	12	journal	journal	PROPN
eurjchem-2259	103	13	of	of	ADP
eurjchem-2259	103	14	chemistry	chemistry	NOUN
eurjchem-2259	103	15	13	13	NUM
eurjchem-2259	103	16	(	(	PUNCT
eurjchem-2259	103	17	3	3	NUM
eurjchem-2259	103	18	)	)	PUNCT
eurjchem-2259	103	19	(	(	PUNCT
eurjchem-2259	103	20	2022	2022	NUM
eurjchem-2259	103	21	)	)	PUNCT
eurjchem-2259	103	22	319	319	NUM
eurjchem-2259	103	23	-	-	SYM
eurjchem-2259	103	24	326	326	NUM
eurjchem-2259	103	25	2022	2022	NUM
eurjchem-2259	103	26	–	–	PUNCT
eurjchem-2259	103	27	european	european	ADJ
eurjchem-2259	103	28	journal	journal	NOUN
eurjchem-2259	103	29	of	of	ADP
eurjchem-2259	103	30	chemistry	chemistry	NOUN
eurjchem-2259	103	31	–	–	PUNCT
eurjchem-2259	103	32	cc	cc	NOUN
eurjchem-2259	103	33	by	by	ADP
eurjchem-2259	103	34	nc	nc	PROPN
eurjchem-2259	103	35	–	–	PUNCT
eurjchem-2259	103	36	doi	doi	NOUN
eurjchem-2259	103	37	:	:	PUNCT
eurjchem-2259	103	38	10.5155	10.5155	NUM
eurjchem-2259	103	39	/	/	SYM
eurjchem-2259	103	40	eurjchem.13.3.319	eurjchem.13.3.319	NOUN
eurjchem-2259	103	41	-	-	PUNCT
eurjchem-2259	103	42	326.2259	326.2259	NUM
eurjchem-2259	103	43	figure	figure	NOUN
eurjchem-2259	103	44	2	2	NUM
eurjchem-2259	103	45	.	.	PUNCT
eurjchem-2259	103	46	predicted	predict	VERB
eurjchem-2259	103	47	versus	versus	ADP
eurjchem-2259	103	48	experimental	experimental	ADJ
eurjchem-2259	103	49	pic50	pic50	ADJ
eurjchem-2259	103	50	values	value	NOUN
eurjchem-2259	103	51	of	of	ADP
eurjchem-2259	103	52	cross	cross	ADJ
eurjchem-2259	103	53	validation	validation	NOUN
eurjchem-2259	103	54	against	against	ADP
eurjchem-2259	103	55	human	human	ADJ
eurjchem-2259	103	56	colorectal	colorectal	ADJ
eurjchem-2259	103	57	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2259	103	58	cell	cell	NOUN
eurjchem-2259	103	59	line	line	NOUN
eurjchem-2259	103	60	(	(	PUNCT
eurjchem-2259	103	61	ht-29	ht-29	NUM
eurjchem-2259	103	62	)	)	PUNCT
eurjchem-2259	103	63	.	.	PUNCT
eurjchem-2259	104	1	figure	figure	VERB
eurjchem-2259	104	2	3	3	NUM
eurjchem-2259	104	3	.	.	PUNCT
eurjchem-2259	104	4	predicted	predict	VERB
eurjchem-2259	104	5	versus	versus	ADP
eurjchem-2259	104	6	experimental	experimental	ADJ
eurjchem-2259	104	7	pic50	pic50	ADJ
eurjchem-2259	104	8	values	value	NOUN
eurjchem-2259	104	9	of	of	ADP
eurjchem-2259	104	10	the	the	DET
eurjchem-2259	104	11	test	test	NOUN
eurjchem-2259	104	12	set	set	VERB
eurjchem-2259	104	13	against	against	ADP
eurjchem-2259	104	14	the	the	DET
eurjchem-2259	104	15	human	human	ADJ
eurjchem-2259	104	16	colorectal	colorectal	ADJ
eurjchem-2259	104	17	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2259	104	18	cell	cell	NOUN
eurjchem-2259	104	19	line	line	NOUN
eurjchem-2259	104	20	(	(	PUNCT
eurjchem-2259	104	21	ht-29	ht-29	NUM
eurjchem-2259	104	22	)	)	PUNCT
eurjchem-2259	104	23	.	.	PUNCT
eurjchem-2259	105	1	(	(	PUNCT
eurjchem-2259	105	2	a	a	X
eurjchem-2259	105	3	)	)	PUNCT
eurjchem-2259	105	4	(	(	PUNCT
eurjchem-2259	105	5	b	b	X
eurjchem-2259	105	6	)	)	PUNCT
eurjchem-2259	105	7	figure	figure	NOUN
eurjchem-2259	105	8	4	4	NUM
eurjchem-2259	105	9	.	.	PUNCT
eurjchem-2259	106	1	(	(	PUNCT
eurjchem-2259	106	2	a	a	X
eurjchem-2259	106	3	)	)	PUNCT
eurjchem-2259	106	4	2d	2d	NOUN
eurjchem-2259	106	5	molecular	molecular	ADJ
eurjchem-2259	106	6	docking	docking	NOUN
eurjchem-2259	106	7	model	model	NOUN
eurjchem-2259	106	8	of	of	ADP
eurjchem-2259	106	9	compound	compound	NOUN
eurjchem-2259	106	10	36	36	NUM
eurjchem-2259	106	11	with	with	ADP
eurjchem-2259	106	12	5jrq	5jrq	PROPN
eurjchem-2259	106	13	and	and	CCONJ
eurjchem-2259	106	14	(	(	PUNCT
eurjchem-2259	106	15	b	b	NOUN
eurjchem-2259	106	16	)	)	PUNCT
eurjchem-2259	106	17	3d	3d	NUM
eurjchem-2259	106	18	model	model	NOUN
eurjchem-2259	106	19	of	of	ADP
eurjchem-2259	106	20	the	the	DET
eurjchem-2259	106	21	interaction	interaction	NOUN
eurjchem-2259	106	22	between	between	ADP
eurjchem-2259	106	23	compound	compound	NOUN
eurjchem-2259	106	24	36	36	NUM
eurjchem-2259	106	25	and	and	CCONJ
eurjchem-2259	106	26	the	the	DET
eurjchem-2259	106	27	binding	bind	VERB
eurjchem-2259	106	28	site	site	NOUN
eurjchem-2259	106	29	of	of	ADP
eurjchem-2259	106	30	5jrq	5jrq	PROPN
eurjchem-2259	106	31	.	.	PUNCT
eurjchem-2259	107	1	test	test	NOUN
eurjchem-2259	107	2	set	set	VERB
eurjchem-2259	107	3	compress	compress	NOUN
eurjchem-2259	107	4	of	of	ADP
eurjchem-2259	107	5	three	three	NUM
eurjchem-2259	107	6	compounds	compound	NOUN
eurjchem-2259	107	7	which	which	PRON
eurjchem-2259	107	8	used	use	VERB
eurjchem-2259	107	9	as	as	ADP
eurjchem-2259	107	10	external	external	ADJ
eurjchem-2259	107	11	validation	validation	NOUN
eurjchem-2259	107	12	for	for	ADP
eurjchem-2259	107	13	developed	develop	VERB
eurjchem-2259	107	14	qsar	qsar	NOUN
eurjchem-2259	107	15	model	model	NOUN
eurjchem-2259	107	16	,	,	PUNCT
eurjchem-2259	107	17	and	and	CCONJ
eurjchem-2259	107	18	it	it	PRON
eurjchem-2259	107	19	was	be	AUX
eurjchem-2259	107	20	found	find	VERB
eurjchem-2259	107	21	that	that	SCONJ
eurjchem-2259	107	22	the	the	DET
eurjchem-2259	107	23	predicted	predict	VERB
eurjchem-2259	107	24	values	value	NOUN
eurjchem-2259	107	25	through	through	ADP
eurjchem-2259	107	26	the	the	DET
eurjchem-2259	107	27	qsar	qsar	PROPN
eurjchem-2259	107	28	model	model	NOUN
eurjchem-2259	107	29	show	show	NOUN
eurjchem-2259	107	30	compliance	compliance	NOUN
eurjchem-2259	107	31	with	with	ADP
eurjchem-2259	107	32	their	their	PRON
eurjchem-2259	107	33	experimental	experimental	ADJ
eurjchem-2259	107	34	values	value	NOUN
eurjchem-2259	107	35	and	and	CCONJ
eurjchem-2259	107	36	(	(	PUNCT
eurjchem-2259	107	37	r2	r2	PROPN
eurjchem-2259	107	38	=	=	SYM
eurjchem-2259	107	39	0.9488	0.9488	NUM
eurjchem-2259	107	40	)	)	PUNCT
eurjchem-2259	107	41	,	,	PUNCT
eurjchem-2259	107	42	all	all	DET
eurjchem-2259	107	43	statistical	statistical	ADJ
eurjchem-2259	107	44	parameters	parameter	NOUN
eurjchem-2259	107	45	calculated	calculate	VERB
eurjchem-2259	107	46	to	to	PART
eurjchem-2259	107	47	evaluate	evaluate	VERB
eurjchem-2259	107	48	the	the	DET
eurjchem-2259	107	49	quality	quality	NOUN
eurjchem-2259	107	50	of	of	ADP
eurjchem-2259	107	51	the	the	DET
eurjchem-2259	107	52	qsar	qsar	NOUN
eurjchem-2259	107	53	model	model	NOUN
eurjchem-2259	107	54	were	be	AUX
eurjchem-2259	107	55	in	in	ADP
eurjchem-2259	107	56	suitable	suitable	ADJ
eurjchem-2259	107	57	range	range	NOUN
eurjchem-2259	107	58	.	.	PUNCT
eurjchem-2259	108	1	figures	figure	NOUN
eurjchem-2259	108	2	1	1	NUM
eurjchem-2259	108	3	-	-	SYM
eurjchem-2259	108	4	3	3	NUM
eurjchem-2259	108	5	show	show	VERB
eurjchem-2259	108	6	the	the	DET
eurjchem-2259	108	7	correlation	correlation	NOUN
eurjchem-2259	108	8	graphs	graph	NOUN
eurjchem-2259	108	9	of	of	ADP
eurjchem-2259	108	10	the	the	DET
eurjchem-2259	108	11	experimental	experimental	ADJ
eurjchem-2259	108	12	versus	versus	SCONJ
eurjchem-2259	108	13	predicted	predict	VERB
eurjchem-2259	108	14	pic50	pic50	ADJ
eurjchem-2259	108	15	values	value	NOUN
eurjchem-2259	108	16	for	for	ADP
eurjchem-2259	108	17	the	the	DET
eurjchem-2259	108	18	training	training	NOUN
eurjchem-2259	108	19	set	set	NOUN
eurjchem-2259	108	20	,	,	PUNCT
eurjchem-2259	108	21	cross	cross	NOUN
eurjchem-2259	108	22	-	-	NOUN
eurjchem-2259	108	23	validation	validation	ADJ
eurjchem-2259	108	24	,	,	PUNCT
eurjchem-2259	108	25	and	and	CCONJ
eurjchem-2259	108	26	test	test	NOUN
eurjchem-2259	108	27	set	set	VERB
eurjchem-2259	108	28	compounds	compound	NOUN
eurjchem-2259	108	29	against	against	ADP
eurjchem-2259	108	30	the	the	DET
eurjchem-2259	108	31	human	human	ADJ
eurjchem-2259	108	32	colorectal	colorectal	ADJ
eurjchem-2259	108	33	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2259	108	34	cell	cell	NOUN
eurjchem-2259	108	35	line	line	NOUN
eurjchem-2259	108	36	(	(	PUNCT
eurjchem-2259	108	37	ht-29	ht-29	NUM
eurjchem-2259	108	38	)	)	PUNCT
eurjchem-2259	108	39	,	,	PUNCT
eurjchem-2259	108	40	respectively	respectively	ADV
eurjchem-2259	108	41	.	.	PUNCT
eurjchem-2259	109	1	3.2	3.2	NUM
eurjchem-2259	109	2	.	.	PUNCT
eurjchem-2259	110	1	docking	docking	NOUN
eurjchem-2259	110	2	study	study	VERB
eurjchem-2259	110	3	a	a	DET
eurjchem-2259	110	4	molecular	molecular	ADJ
eurjchem-2259	110	5	docking	docking	NOUN
eurjchem-2259	110	6	study	study	NOUN
eurjchem-2259	110	7	was	be	AUX
eurjchem-2259	110	8	performed	perform	VERB
eurjchem-2259	110	9	between	between	ADP
eurjchem-2259	110	10	the	the	DET
eurjchem-2259	110	11	target	target	NOUN
eurjchem-2259	110	12	(	(	PUNCT
eurjchem-2259	110	13	5jrq	5jrq	PROPN
eurjchem-2259	110	14	)	)	PUNCT
eurjchem-2259	110	15	and	and	CCONJ
eurjchem-2259	110	16	designed	design	VERB
eurjchem-2259	110	17	3,5	3,5	NUM
eurjchem-2259	110	18	-	-	PUNCT
eurjchem-2259	110	19	dimethylpyrazole	dimethylpyrazole	ADJ
eurjchem-2259	110	20	derivatives	derivative	NOUN
eurjchem-2259	110	21	(	(	PUNCT
eurjchem-2259	110	22	22	22	NUM
eurjchem-2259	110	23	-	-	SYM
eurjchem-2259	110	24	36	36	NUM
eurjchem-2259	110	25	)	)	PUNCT
eurjchem-2259	110	26	.	.	PUNCT
eurjchem-2259	111	1	all	all	DET
eurjchem-2259	111	2	compounds	compound	NOUN
eurjchem-2259	111	3	were	be	AUX
eurjchem-2259	111	4	found	find	VERB
eurjchem-2259	111	5	to	to	PART
eurjchem-2259	111	6	inhibit	inhibit	VERB
eurjchem-2259	111	7	the	the	DET
eurjchem-2259	111	8	receptor	receptor	NOUN
eurjchem-2259	111	9	by	by	ADP
eurjchem-2259	111	10	occupying	occupy	VERB
eurjchem-2259	111	11	the	the	DET
eurjchem-2259	111	12	active	active	ADJ
eurjchem-2259	111	13	sites	site	NOUN
eurjchem-2259	111	14	of	of	ADP
eurjchem-2259	111	15	the	the	DET
eurjchem-2259	111	16	target	target	NOUN
eurjchem-2259	111	17	(	(	PUNCT
eurjchem-2259	111	18	5jrq	5jrq	PROPN
eurjchem-2259	111	19	)	)	PUNCT
eurjchem-2259	111	20	.	.	PUNCT
eurjchem-2259	112	1	the	the	DET
eurjchem-2259	112	2	binding	bind	VERB
eurjchem-2259	112	3	affinity	affinity	NOUN
eurjchem-2259	112	4	values	value	NOUN
eurjchem-2259	112	5	for	for	ADP
eurjchem-2259	112	6	designed	design	VERB
eurjchem-2259	112	7	compounds	compound	NOUN
eurjchem-2259	112	8	range	range	VERB
eurjchem-2259	112	9	from	from	ADP
eurjchem-2259	112	10	to	to	ADP
eurjchem-2259	112	11	-9.438	-9.438	NOUN
eurjchem-2259	112	12	to	to	ADP
eurjchem-2259	112	13	23.017	23.017	NUM
eurjchem-2259	112	14	kcal	kcal	NOUN
eurjchem-2259	112	15	/	/	SYM
eurjchem-2259	112	16	mol	mol	PROPN
eurjchem-2259	112	17	as	as	SCONJ
eurjchem-2259	112	18	reported	report	VERB
eurjchem-2259	112	19	in	in	ADP
eurjchem-2259	112	20	table	table	NOUN
eurjchem-2259	112	21	7	7	NUM
eurjchem-2259	112	22	(	(	PUNCT
eurjchem-2259	112	23	figures	figure	NOUN
eurjchem-2259	112	24	4	4	NUM
eurjchem-2259	112	25	-	-	SYM
eurjchem-2259	112	26	6	6	NUM
eurjchem-2259	112	27	)	)	PUNCT
eurjchem-2259	112	28	.	.	PUNCT
eurjchem-2259	113	1	y	y	NOUN
eurjchem-2259	113	2	=	=	PUNCT
eurjchem-2259	114	1	0.923x	0.923x	ADJ
eurjchem-2259	114	2	+	+	CCONJ
eurjchem-2259	114	3	0.3686	0.3686	NUM
eurjchem-2259	114	4	r²	r²	NOUN
eurjchem-2259	114	5	=	=	PUNCT
eurjchem-2259	114	6	0.8744	0.8744	NUM
eurjchem-2259	114	7	4.20	4.20	NUM
eurjchem-2259	114	8	4.40	4.40	NUM
eurjchem-2259	114	9	4.60	4.60	NUM
eurjchem-2259	114	10	4.80	4.80	NUM
eurjchem-2259	114	11	5.00	5.00	NUM
eurjchem-2259	114	12	5.20	5.20	NUM
eurjchem-2259	114	13	5.40	5.40	NUM
eurjchem-2259	114	14	4.20	4.20	NUM
eurjchem-2259	114	15	4.40	4.40	NUM
eurjchem-2259	114	16	4.60	4.60	NUM
eurjchem-2259	114	17	4.80	4.80	NUM
eurjchem-2259	114	18	5.00	5.00	NUM
eurjchem-2259	114	19	5.20	5.20	NUM
eurjchem-2259	114	20	5.40	5.40	NUM
eurjchem-2259	114	21	cv	cv	NOUN
eurjchem-2259	114	22	pr	pr	NOUN
eurjchem-2259	114	23	ed	ed	PROPN
eurjchem-2259	114	24	pic50exp	pic50exp	PROPN
eurjchem-2259	114	25	y	y	PROPN
eurjchem-2259	114	26	=	=	SYM
eurjchem-2259	114	27	0.5189x	0.5189x	PROPN
eurjchem-2259	114	28	+	+	CCONJ
eurjchem-2259	114	29	2.4494	2.4494	NUM
eurjchem-2259	114	30	r²	r²	NOUN
eurjchem-2259	114	31	=	=	NOUN
eurjchem-2259	114	32	0.9488	0.9488	NUM
eurjchem-2259	114	33	4.60	4.60	NUM
eurjchem-2259	114	34	4.70	4.70	NUM
eurjchem-2259	114	35	4.80	4.80	NUM
eurjchem-2259	114	36	4.90	4.90	NUM
eurjchem-2259	114	37	5.00	5.00	NUM
eurjchem-2259	114	38	5.10	5.10	NUM
eurjchem-2259	114	39	5.20	5.20	NUM
eurjchem-2259	114	40	5.30	5.30	NUM
eurjchem-2259	114	41	5.40	5.40	NUM
eurjchem-2259	114	42	5.50	5.50	NUM
eurjchem-2259	114	43	4.50	4.50	NUM
eurjchem-2259	114	44	4.70	4.70	NUM
eurjchem-2259	114	45	4.90	4.90	NUM
eurjchem-2259	114	46	5.10	5.10	NUM
eurjchem-2259	114	47	5.30	5.30	NUM
eurjchem-2259	114	48	5.50	5.50	NUM
eurjchem-2259	114	49	5.70	5.70	NUM
eurjchem-2259	114	50	5.90	5.90	NUM
eurjchem-2259	114	51	pi	pi	NOUN
eurjchem-2259	114	52	c5	c5	PROPN
eurjchem-2259	114	53	0	0	PUNCT
eurjchem-2259	115	1	p	p	X
eurjchem-2259	115	2	re	re	PROPN
eurjchem-2259	115	3	d	d	PROPN
eurjchem-2259	115	4	pic50exp	pic50exp	PROPN
eurjchem-2259	115	5	mohamed	mohame	VERB
eurjchem-2259	115	6	et	et	PROPN
eurjchem-2259	115	7	al	al	PROPN
eurjchem-2259	115	8	.	.	PUNCT
eurjchem-2259	115	9	/	/	SYM
eurjchem-2259	115	10	european	european	PROPN
eurjchem-2259	115	11	journal	journal	PROPN
eurjchem-2259	115	12	of	of	ADP
eurjchem-2259	115	13	chemistry	chemistry	NOUN
eurjchem-2259	115	14	13	13	NUM
eurjchem-2259	115	15	(	(	PUNCT
eurjchem-2259	115	16	3	3	NUM
eurjchem-2259	115	17	)	)	PUNCT
eurjchem-2259	115	18	(	(	PUNCT
eurjchem-2259	115	19	2022	2022	NUM
eurjchem-2259	115	20	)	)	PUNCT
eurjchem-2259	115	21	319	319	NUM
eurjchem-2259	115	22	-	-	SYM
eurjchem-2259	115	23	326	326	NUM
eurjchem-2259	115	24	325	325	NUM
eurjchem-2259	115	25	2022	2022	NUM
eurjchem-2259	115	26	–	–	PUNCT
eurjchem-2259	115	27	european	european	ADJ
eurjchem-2259	115	28	journal	journal	NOUN
eurjchem-2259	115	29	of	of	ADP
eurjchem-2259	115	30	chemistry	chemistry	NOUN
eurjchem-2259	115	31	–	–	PUNCT
eurjchem-2259	115	32	cc	cc	NOUN
eurjchem-2259	115	33	by	by	ADP
eurjchem-2259	115	34	nc	nc	PROPN
eurjchem-2259	115	35	–	–	PUNCT
eurjchem-2259	115	36	doi	doi	NOUN
eurjchem-2259	115	37	:	:	PUNCT
eurjchem-2259	115	38	10.5155	10.5155	NUM
eurjchem-2259	115	39	/	/	SYM
eurjchem-2259	115	40	eurjchem.13.3.319	eurjchem.13.3.319	NOUN
eurjchem-2259	115	41	-	-	PUNCT
eurjchem-2259	115	42	326.2259	326.2259	NUM
eurjchem-2259	115	43	(	(	PUNCT
eurjchem-2259	115	44	a	a	NOUN
eurjchem-2259	115	45	)	)	PUNCT
eurjchem-2259	115	46	(	(	PUNCT
eurjchem-2259	115	47	b	b	X
eurjchem-2259	115	48	)	)	PUNCT
eurjchem-2259	115	49	figure	figure	NOUN
eurjchem-2259	115	50	5	5	NUM
eurjchem-2259	115	51	.	.	PUNCT
eurjchem-2259	116	1	(	(	PUNCT
eurjchem-2259	116	2	a	a	X
eurjchem-2259	116	3	)	)	PUNCT
eurjchem-2259	116	4	2d	2d	NOUN
eurjchem-2259	116	5	molecular	molecular	ADJ
eurjchem-2259	116	6	docking	docking	NOUN
eurjchem-2259	116	7	model	model	NOUN
eurjchem-2259	116	8	of	of	ADP
eurjchem-2259	116	9	compound	compound	NOUN
eurjchem-2259	116	10	35	35	NUM
eurjchem-2259	116	11	with	with	ADP
eurjchem-2259	116	12	5jrq	5jrq	PROPN
eurjchem-2259	116	13	and	and	CCONJ
eurjchem-2259	116	14	(	(	PUNCT
eurjchem-2259	116	15	b	b	NOUN
eurjchem-2259	116	16	)	)	PUNCT
eurjchem-2259	116	17	3d	3d	NUM
eurjchem-2259	116	18	model	model	NOUN
eurjchem-2259	116	19	of	of	ADP
eurjchem-2259	116	20	the	the	DET
eurjchem-2259	116	21	interaction	interaction	NOUN
eurjchem-2259	116	22	between	between	ADP
eurjchem-2259	116	23	compound	compound	NOUN
eurjchem-2259	116	24	35	35	NUM
eurjchem-2259	116	25	and	and	CCONJ
eurjchem-2259	116	26	the	the	DET
eurjchem-2259	116	27	binding	bind	VERB
eurjchem-2259	116	28	site	site	NOUN
eurjchem-2259	116	29	of	of	ADP
eurjchem-2259	116	30	5jrq	5jrq	PROPN
eurjchem-2259	116	31	.	.	PUNCT
eurjchem-2259	117	1	(	(	PUNCT
eurjchem-2259	117	2	a	a	X
eurjchem-2259	117	3	)	)	PUNCT
eurjchem-2259	117	4	(	(	PUNCT
eurjchem-2259	117	5	b	b	X
eurjchem-2259	117	6	)	)	PUNCT
eurjchem-2259	117	7	figure	figure	NOUN
eurjchem-2259	117	8	6	6	NUM
eurjchem-2259	117	9	.	.	PUNCT
eurjchem-2259	118	1	(	(	PUNCT
eurjchem-2259	118	2	a	a	X
eurjchem-2259	118	3	)	)	PUNCT
eurjchem-2259	118	4	2d	2d	NOUN
eurjchem-2259	118	5	molecular	molecular	ADJ
eurjchem-2259	118	6	docking	docking	NOUN
eurjchem-2259	118	7	model	model	NOUN
eurjchem-2259	118	8	of	of	ADP
eurjchem-2259	118	9	compound	compound	NOUN
eurjchem-2259	118	10	31	31	NUM
eurjchem-2259	118	11	with	with	ADP
eurjchem-2259	118	12	5jrq	5jrq	PROPN
eurjchem-2259	118	13	and	and	CCONJ
eurjchem-2259	118	14	(	(	PUNCT
eurjchem-2259	118	15	b	b	NOUN
eurjchem-2259	118	16	)	)	PUNCT
eurjchem-2259	118	17	3d	3d	NUM
eurjchem-2259	118	18	model	model	NOUN
eurjchem-2259	118	19	of	of	ADP
eurjchem-2259	118	20	the	the	DET
eurjchem-2259	118	21	interaction	interaction	NOUN
eurjchem-2259	118	22	between	between	ADP
eurjchem-2259	118	23	compound	compound	NOUN
eurjchem-2259	118	24	31	31	NUM
eurjchem-2259	118	25	and	and	CCONJ
eurjchem-2259	118	26	the	the	DET
eurjchem-2259	118	27	binding	bind	VERB
eurjchem-2259	118	28	site	site	NOUN
eurjchem-2259	118	29	of	of	ADP
eurjchem-2259	118	30	5jrq	5jrq	NUM
eurjchem-2259	118	31	.	.	PUNCT
eurjchem-2259	119	1	4	4	NUM
eurjchem-2259	119	2	.	.	PUNCT
eurjchem-2259	119	3	conclusions	conclusion	NOUN
eurjchem-2259	119	4	the	the	DET
eurjchem-2259	119	5	developed	develop	VERB
eurjchem-2259	119	6	qsar	qsar	NOUN
eurjchem-2259	119	7	model	model	NOUN
eurjchem-2259	119	8	presents	present	VERB
eurjchem-2259	119	9	a	a	DET
eurjchem-2259	119	10	satisfactory	satisfactory	ADJ
eurjchem-2259	119	11	correlation	correlation	NOUN
eurjchem-2259	119	12	with	with	ADP
eurjchem-2259	119	13	inhibition	inhibition	NOUN
eurjchem-2259	119	14	activity	activity	NOUN
eurjchem-2259	119	15	against	against	ADP
eurjchem-2259	119	16	the	the	DET
eurjchem-2259	119	17	human	human	ADJ
eurjchem-2259	119	18	colorectal	colorectal	ADJ
eurjchem-2259	119	19	adenocarcinoma	adenocarcinoma	NOUN
eurjchem-2259	119	20	cell	cell	NOUN
eurjchem-2259	119	21	line	line	NOUN
eurjchem-2259	119	22	ht-29	ht-29	X
eurjchem-2259	119	23	,	,	PUNCT
eurjchem-2259	119	24	and	and	CCONJ
eurjchem-2259	119	25	met	meet	VERB
eurjchem-2259	119	26	the	the	DET
eurjchem-2259	119	27	criteria	criterion	NOUN
eurjchem-2259	119	28	for	for	ADP
eurjchem-2259	119	29	the	the	DET
eurjchem-2259	119	30	minimum	minimum	ADJ
eurjchem-2259	119	31	recommended	recommend	VERB
eurjchem-2259	119	32	value	value	NOUN
eurjchem-2259	119	33	of	of	ADP
eurjchem-2259	119	34	validation	validation	NOUN
eurjchem-2259	119	35	parameters	parameter	NOUN
eurjchem-2259	119	36	for	for	ADP
eurjchem-2259	119	37	a	a	DET
eurjchem-2259	119	38	generally	generally	ADV
eurjchem-2259	119	39	acceptable	acceptable	ADJ
eurjchem-2259	119	40	qsar	qsar	NOUN
eurjchem-2259	119	41	model	model	NOUN
eurjchem-2259	119	42	,	,	PUNCT
eurjchem-2259	119	43	and	and	CCONJ
eurjchem-2259	119	44	molecular	molecular	ADJ
eurjchem-2259	119	45	docking	docking	NOUN
eurjchem-2259	119	46	analysis	analysis	NOUN
eurjchem-2259	119	47	has	have	AUX
eurjchem-2259	119	48	shown	show	VERB
eurjchem-2259	119	49	that	that	SCONJ
eurjchem-2259	119	50	all	all	DET
eurjchem-2259	119	51	new	new	ADJ
eurjchem-2259	119	52	compounds	compound	NOUN
eurjchem-2259	119	53	have	have	VERB
eurjchem-2259	119	54	good	good	ADJ
eurjchem-2259	119	55	inhibitor	inhibitor	NOUN
eurjchem-2259	119	56	activity	activity	NOUN
eurjchem-2259	119	57	.	.	PUNCT
eurjchem-2259	120	1	the	the	DET
eurjchem-2259	120	2	generated	generate	VERB
eurjchem-2259	120	3	qsar	qsar	NOUN
eurjchem-2259	120	4	model	model	NOUN
eurjchem-2259	120	5	provides	provide	VERB
eurjchem-2259	120	6	a	a	DET
eurjchem-2259	120	7	valuable	valuable	ADJ
eurjchem-2259	120	8	approach	approach	NOUN
eurjchem-2259	120	9	for	for	ADP
eurjchem-2259	120	10	ligand	ligand	NOUN
eurjchem-2259	120	11	-	-	PUNCT
eurjchem-2259	120	12	base	base	NOUN
eurjchem-2259	120	13	design	design	NOUN
eurjchem-2259	120	14	,	,	PUNCT
eurjchem-2259	120	15	while	while	SCONJ
eurjchem-2259	120	16	molecular	molecular	ADJ
eurjchem-2259	120	17	docking	docking	NOUN
eurjchem-2259	120	18	studies	study	NOUN
eurjchem-2259	120	19	provide	provide	VERB
eurjchem-2259	120	20	a	a	DET
eurjchem-2259	120	21	valuable	valuable	ADJ
eurjchem-2259	120	22	approach	approach	NOUN
eurjchem-2259	120	23	for	for	ADP
eurjchem-2259	120	24	structure	structure	NOUN
eurjchem-2259	120	25	-	-	PUNCT
eurjchem-2259	120	26	base	base	NOUN
eurjchem-2259	120	27	design	design	NOUN
eurjchem-2259	120	28	.	.	PUNCT
eurjchem-2259	121	1	these	these	DET
eurjchem-2259	121	2	two	two	NUM
eurjchem-2259	121	3	approaches	approach	NOUN
eurjchem-2259	121	4	will	will	AUX
eurjchem-2259	121	5	be	be	AUX
eurjchem-2259	121	6	of	of	ADP
eurjchem-2259	121	7	great	great	ADJ
eurjchem-2259	121	8	help	help	NOUN
eurjchem-2259	121	9	to	to	ADP
eurjchem-2259	121	10	pharmaceutical	pharmaceutical	NOUN
eurjchem-2259	121	11	and	and	CCONJ
eurjchem-2259	121	12	medicinal	medicinal	ADJ
eurjchem-2259	121	13	chemists	chemist	NOUN
eurjchem-2259	121	14	in	in	ADP
eurjchem-2259	121	15	designing	designing	NOUN
eurjchem-2259	121	16	and	and	CCONJ
eurjchem-2259	121	17	synthesis	synthesis	NOUN
eurjchem-2259	121	18	of	of	ADP
eurjchem-2259	121	19	a	a	DET
eurjchem-2259	121	20	new	new	ADJ
eurjchem-2259	121	21	antiproliferative	antiproliferative	ADJ
eurjchem-2259	121	22	agent	agent	NOUN
eurjchem-2259	121	23	.	.	PUNCT
eurjchem-2259	122	1	disclosure	disclosure	NOUN
eurjchem-2259	122	2	statement	statement	NOUN
eurjchem-2259	122	3	conflict	conflict	NOUN
eurjchem-2259	122	4	of	of	ADP
eurjchem-2259	122	5	interest	interest	NOUN
eurjchem-2259	122	6	:	:	PUNCT
eurjchem-2259	122	7	the	the	DET
eurjchem-2259	122	8	authors	author	NOUN
eurjchem-2259	122	9	declare	declare	VERB
eurjchem-2259	122	10	that	that	SCONJ
eurjchem-2259	122	11	they	they	PRON
eurjchem-2259	122	12	have	have	VERB
eurjchem-2259	122	13	no	no	DET
eurjchem-2259	122	14	conflict	conflict	NOUN
eurjchem-2259	122	15	of	of	ADP
eurjchem-2259	122	16	interest	interest	NOUN
eurjchem-2259	122	17	.	.	PUNCT
eurjchem-2259	123	1	ethical	ethical	ADJ
eurjchem-2259	123	2	approval	approval	NOUN
eurjchem-2259	123	3	:	:	PUNCT
eurjchem-2259	124	1	all	all	DET
eurjchem-2259	124	2	ethical	ethical	ADJ
eurjchem-2259	124	3	guidelines	guideline	NOUN
eurjchem-2259	124	4	have	have	AUX
eurjchem-2259	124	5	been	be	AUX
eurjchem-2259	124	6	adhered	adhere	VERB
eurjchem-2259	124	7	.	.	PUNCT
eurjchem-2259	125	1	sample	sample	NOUN
eurjchem-2259	125	2	availability	availability	NOUN
eurjchem-2259	125	3	:	:	PUNCT
eurjchem-2259	125	4	samples	sample	NOUN
eurjchem-2259	125	5	of	of	ADP
eurjchem-2259	125	6	the	the	DET
eurjchem-2259	125	7	compounds	compound	NOUN
eurjchem-2259	125	8	are	be	AUX
eurjchem-2259	125	9	available	available	ADJ
eurjchem-2259	125	10	from	from	ADP
eurjchem-2259	125	11	the	the	DET
eurjchem-2259	125	12	author	author	NOUN
eurjchem-2259	125	13	.	.	PUNCT
eurjchem-2259	126	1	credit	credit	NOUN
eurjchem-2259	126	2	authorship	authorship	NOUN
eurjchem-2259	126	3	contribution	contribution	NOUN
eurjchem-2259	126	4	statement	statement	NOUN
eurjchem-2259	126	5	conceptualization	conceptualization	NOUN
eurjchem-2259	126	6	:	:	PUNCT
eurjchem-2259	126	7	ahmed	ahmed	PROPN
eurjchem-2259	126	8	elsadig	elsadig	PROPN
eurjchem-2259	126	9	mohammed	mohammed	PROPN
eurjchem-2259	126	10	saeed	saeed	PROPN
eurjchem-2259	126	11	,	,	PUNCT
eurjchem-2259	126	12	hiba	hiba	PROPN
eurjchem-2259	126	13	hashim	hashim	PROPN
eurjchem-2259	126	14	mahgoub	mahgoub	PROPN
eurjchem-2259	126	15	mohamed	mohame	VERB
eurjchem-2259	126	16	;	;	PUNCT
eurjchem-2259	126	17	methodology	methodology	NOUN
eurjchem-2259	126	18	:	:	PUNCT
eurjchem-2259	127	1	hiba	hiba	PROPN
eurjchem-2259	127	2	hashim	hashim	PROPN
eurjchem-2259	127	3	mahgoub	mahgoub	PROPN
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eurjchem-2259	127	12	:	:	PUNCT
eurjchem-2259	127	13	hiba	hiba	PROPN
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eurjchem-2259	127	19	:	:	PUNCT
eurjchem-2259	127	20	hiba	hiba	PROPN
eurjchem-2259	127	21	hashim	hashim	PROPN
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eurjchem-2259	127	32	;	;	PUNCT
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eurjchem-2259	127	34	:	:	PUNCT
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eurjchem-2259	127	41	,	,	PUNCT
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eurjchem-2259	127	45	saeed	saeed	PROPN
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eurjchem-2259	127	48	:	:	PUNCT
eurjchem-2259	127	49	hiba	hiba	PROPN
eurjchem-2259	127	50	hashim	hashim	PROPN
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eurjchem-2259	127	55	bint	bint	PROPN
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eurjchem-2259	130	4	1	1	NUM
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eurjchem-2259	137	3	]	]	PUNCT
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eurjchem-2259	145	2	,	,	PUNCT
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eurjchem-2259	150	28	-	-	PUNCT
eurjchem-2259	150	29	initiating	initiate	VERB
eurjchem-2259	150	30	cells	cell	NOUN
eurjchem-2259	150	31	.	.	PUNCT
eurjchem-2259	151	1	med	med	PROPN
eurjchem-2259	151	2	.	.	PUNCT
eurjchem-2259	152	1	sci	sci	PROPN
eurjchem-2259	152	2	.	.	PUNCT
eurjchem-2259	153	1	(	(	PUNCT
eurjchem-2259	153	2	basel	basel	PROPN
eurjchem-2259	153	3	)	)	PUNCT
eurjchem-2259	153	4	2018	2018	NUM
eurjchem-2259	153	5	,	,	PUNCT
eurjchem-2259	153	6	6	6	NUM
eurjchem-2259	153	7	.	.	PUNCT
eurjchem-2259	154	1	[	[	X
eurjchem-2259	154	2	7	7	NUM
eurjchem-2259	154	3	]	]	X
eurjchem-2259	154	4	.	.	PUNCT
eurjchem-2259	155	1	loke	loke	PROPN
eurjchem-2259	155	2	,	,	PUNCT
eurjchem-2259	155	3	y.	y.	PROPN
eurjchem-2259	155	4	l.	l.	PROPN
eurjchem-2259	155	5	;	;	PUNCT
eurjchem-2259	155	6	chew	chew	VERB
eurjchem-2259	155	7	,	,	PUNCT
eurjchem-2259	155	8	m.	m.	NOUN
eurjchem-2259	155	9	t.	t.	PROPN
eurjchem-2259	155	10	;	;	PUNCT
eurjchem-2259	155	11	ngeow	ngeow	ADV
eurjchem-2259	155	12	,	,	PUNCT
eurjchem-2259	155	13	y.	y.	PROPN
eurjchem-2259	155	14	f.	f.	PROPN
eurjchem-2259	155	15	;	;	PUNCT
eurjchem-2259	156	1	lim	lim	PROPN
eurjchem-2259	156	2	,	,	PUNCT
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eurjchem-2259	156	4	w.	w.	PROPN
eurjchem-2259	156	5	d.	d.	PROPN
eurjchem-2259	156	6	;	;	PUNCT
eurjchem-2259	156	7	peh	peh	PROPN
eurjchem-2259	156	8	,	,	PUNCT
eurjchem-2259	156	9	s.	s.	PROPN
eurjchem-2259	156	10	c.	c.	PROPN
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eurjchem-2259	156	13	:	:	PUNCT
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eurjchem-2259	156	15	interplay	interplay	NOUN
eurjchem-2259	156	16	between	between	ADP
eurjchem-2259	156	17	diet	diet	NOUN
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eurjchem-2259	156	21	.	.	PUNCT
eurjchem-2259	157	1	front	front	ADJ
eurjchem-2259	157	2	.	.	PUNCT
eurjchem-2259	158	1	cell	cell	NOUN
eurjchem-2259	158	2	.	.	PUNCT
eurjchem-2259	159	1	infect	infect	VERB
eurjchem-2259	159	2	.	.	PUNCT
eurjchem-2259	160	1	microbiol	microbiol	PROPN
eurjchem-2259	160	2	.	.	PUNCT
eurjchem-2259	161	1	2020	2020	NUM
eurjchem-2259	161	2	,	,	PUNCT
eurjchem-2259	161	3	10	10	NUM
eurjchem-2259	161	4	,	,	PUNCT
eurjchem-2259	161	5	603086	603086	NUM
eurjchem-2259	161	6	.	.	PUNCT
eurjchem-2259	162	1	[	[	X
eurjchem-2259	162	2	8	8	NUM
eurjchem-2259	162	3	]	]	PUNCT
eurjchem-2259	162	4	.	.	PUNCT
eurjchem-2259	163	1	vernia	vernia	PROPN
eurjchem-2259	163	2	,	,	PUNCT
eurjchem-2259	163	3	f.	f.	PROPN
eurjchem-2259	163	4	;	;	PUNCT
eurjchem-2259	163	5	longo	longo	PROPN
eurjchem-2259	163	6	,	,	PUNCT
eurjchem-2259	163	7	s.	s.	PROPN
eurjchem-2259	163	8	;	;	PUNCT
eurjchem-2259	163	9	stefanelli	stefanelli	PROPN
eurjchem-2259	163	10	,	,	PUNCT
eurjchem-2259	163	11	g.	g.	PROPN
eurjchem-2259	163	12	;	;	PUNCT
eurjchem-2259	163	13	viscido	viscido	PROPN
eurjchem-2259	163	14	,	,	PUNCT
eurjchem-2259	163	15	a.	a.	NOUN
eurjchem-2259	163	16	;	;	PUNCT
eurjchem-2259	163	17	latella	latella	NOUN
eurjchem-2259	163	18	,	,	PUNCT
eurjchem-2259	163	19	g.	g.	PROPN
eurjchem-2259	163	20	dietary	dietary	ADJ
eurjchem-2259	163	21	factors	factor	NOUN
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eurjchem-2259	163	24	carcinogenesis	carcinogenesis	NOUN
eurjchem-2259	163	25	.	.	PUNCT
eurjchem-2259	164	1	nutrients	nutrient	NOUN
eurjchem-2259	164	2	2021	2021	NUM
eurjchem-2259	164	3	,	,	PUNCT
eurjchem-2259	164	4	13	13	NUM
eurjchem-2259	164	5	,	,	PUNCT
eurjchem-2259	164	6	143	143	NUM
eurjchem-2259	164	7	.	.	PUNCT
eurjchem-2259	165	1	[	[	X
eurjchem-2259	165	2	9	9	NUM
eurjchem-2259	165	3	]	]	PUNCT
eurjchem-2259	165	4	.	.	PUNCT
eurjchem-2259	165	5	barnes	barnes	PROPN
eurjchem-2259	165	6	,	,	PUNCT
eurjchem-2259	165	7	j.	j.	PROPN
eurjchem-2259	165	8	l.	l.	PROPN
eurjchem-2259	165	9	;	;	PUNCT
eurjchem-2259	165	10	zubair	zubair	PROPN
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eurjchem-2259	165	13	;	;	PUNCT
eurjchem-2259	165	14	john	john	PROPN
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eurjchem-2259	165	16	k.	k.	PROPN
eurjchem-2259	165	17	;	;	PUNCT
eurjchem-2259	165	18	poirier	poirier	PROPN
eurjchem-2259	165	19	,	,	PUNCT
eurjchem-2259	165	20	m.	m.	PROPN
eurjchem-2259	165	21	c.	c.	PROPN
eurjchem-2259	165	22	;	;	PUNCT
eurjchem-2259	165	23	martin	martin	PROPN
eurjchem-2259	165	24	,	,	PUNCT
eurjchem-2259	165	25	f.	f.	PROPN
eurjchem-2259	165	26	l.	l.	PROPN
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eurjchem-2259	165	31	.	.	PUNCT
eurjchem-2259	166	1	biochem	biochem	PROPN
eurjchem-2259	166	2	.	.	PUNCT
eurjchem-2259	167	1	soc	soc	PROPN
eurjchem-2259	167	2	.	.	PUNCT
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eurjchem-2259	168	2	.	.	PROPN
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eurjchem-2259	168	4	,	,	PUNCT
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eurjchem-2259	168	8	.	.	PUNCT
eurjchem-2259	169	1	[	[	X
eurjchem-2259	169	2	10	10	NUM
eurjchem-2259	169	3	]	]	PUNCT
eurjchem-2259	169	4	.	.	PUNCT
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eurjchem-2259	170	2	,	,	PUNCT
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eurjchem-2259	170	4	k.	k.	PROPN
eurjchem-2259	170	5	dna	dna	PROPN
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eurjchem-2259	170	7	,	,	PUNCT
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eurjchem-2259	170	11	.	.	PUNCT
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eurjchem-2259	171	2	.	.	PUNCT
eurjchem-2259	172	1	j.	j.	PROPN
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eurjchem-2259	172	3	.	.	PUNCT
eurjchem-2259	173	1	sci	sci	PROPN
eurjchem-2259	173	2	.	.	PROPN
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eurjchem-2259	173	4	,	,	PUNCT
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eurjchem-2259	174	3	]	]	SYM
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eurjchem-2259	174	6	,	,	PUNCT
eurjchem-2259	174	7	i.	i.	PROPN
eurjchem-2259	174	8	;	;	PUNCT
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eurjchem-2259	174	10	-	-	PUNCT
eurjchem-2259	174	11	de	de	NOUN
eurjchem-2259	174	12	-	-	NOUN
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eurjchem-2259	174	16	;	;	PUNCT
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eurjchem-2259	174	18	dieste	dieste	PROPN
eurjchem-2259	174	19	,	,	PUNCT
eurjchem-2259	174	20	a.	a.	NOUN
eurjchem-2259	174	21	;	;	PUNCT
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eurjchem-2259	174	23	,	,	PUNCT
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eurjchem-2259	174	25	;	;	PUNCT
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eurjchem-2259	174	30	j.	j.	PROPN
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eurjchem-2259	174	43	.	.	PUNCT
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eurjchem-2259	175	2	.	.	PUNCT
eurjchem-2259	176	1	j.	j.	PROPN
eurjchem-2259	176	2	mol	mol	PROPN
eurjchem-2259	176	3	.	.	PUNCT
eurjchem-2259	177	1	sci	sci	PROPN
eurjchem-2259	177	2	.	.	PROPN
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eurjchem-2259	177	4	,	,	PUNCT
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eurjchem-2259	177	6	,	,	PUNCT
eurjchem-2259	177	7	197	197	NUM
eurjchem-2259	177	8	.	.	PUNCT
eurjchem-2259	178	1	[	[	X
eurjchem-2259	178	2	12	12	NUM
eurjchem-2259	178	3	]	]	PUNCT
eurjchem-2259	178	4	.	.	PUNCT
eurjchem-2259	179	1	naim	naim	PROPN
eurjchem-2259	179	2	,	,	PUNCT
eurjchem-2259	179	3	m.	m.	NOUN
eurjchem-2259	179	4	j.	j.	PROPN
eurjchem-2259	179	5	;	;	PUNCT
eurjchem-2259	179	6	alam	alam	PROPN
eurjchem-2259	179	7	,	,	PUNCT
eurjchem-2259	179	8	o.	o.	PROPN
eurjchem-2259	179	9	;	;	PUNCT
eurjchem-2259	179	10	nawaz	nawaz	PROPN
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eurjchem-2259	179	12	f.	f.	PROPN
eurjchem-2259	179	13	;	;	PUNCT
eurjchem-2259	179	14	alam	alam	PROPN
eurjchem-2259	179	15	,	,	PUNCT
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eurjchem-2259	179	23	status	status	NOUN
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eurjchem-2259	179	25	pyrazole	pyrazole	NOUN
eurjchem-2259	179	26	and	and	CCONJ
eurjchem-2259	179	27	its	its	PRON
eurjchem-2259	179	28	biological	biological	ADJ
eurjchem-2259	179	29	activities	activity	NOUN
eurjchem-2259	179	30	.	.	PUNCT
eurjchem-2259	180	1	j.	j.	PROPN
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eurjchem-2259	180	3	.	.	PUNCT
eurjchem-2259	181	1	bioallied	bioallied	PROPN
eurjchem-2259	181	2	sci	sci	PROPN
eurjchem-2259	181	3	.	.	PROPN
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eurjchem-2259	181	5	,	,	PUNCT
eurjchem-2259	181	6	8	8	NUM
eurjchem-2259	181	7	,	,	PUNCT
eurjchem-2259	181	8	2	2	NUM
eurjchem-2259	181	9	–	–	PUNCT
eurjchem-2259	181	10	17	17	NUM
eurjchem-2259	181	11	.	.	PUNCT
eurjchem-2259	182	1	[	[	X
eurjchem-2259	182	2	13	13	NUM
eurjchem-2259	182	3	]	]	PUNCT
eurjchem-2259	182	4	.	.	PUNCT
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eurjchem-2259	183	2	,	,	PUNCT
eurjchem-2259	183	3	a.	a.	NOUN
eurjchem-2259	183	4	;	;	PUNCT
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eurjchem-2259	183	7	y.	y.	PROPN
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eurjchem-2259	183	9	;	;	PUNCT
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eurjchem-2259	183	14	;	;	PUNCT
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eurjchem-2259	183	18	z.	z.	PROPN
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eurjchem-2259	183	23	pyrazole	pyrazole	NOUN
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eurjchem-2259	184	1	j.	j.	PROPN
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eurjchem-2259	184	5	,	,	PUNCT
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eurjchem-2259	184	9	.	.	PUNCT
eurjchem-2259	185	1	[	[	X
eurjchem-2259	185	2	14	14	NUM
eurjchem-2259	185	3	]	]	PUNCT
eurjchem-2259	185	4	.	.	PUNCT
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eurjchem-2259	186	4	;	;	PUNCT
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eurjchem-2259	186	9	;	;	PUNCT
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eurjchem-2259	186	12	s.	s.	PROPN
eurjchem-2259	186	13	pyrazole	pyrazole	PROPN
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eurjchem-2259	186	18	scaffolds	scaffold	NOUN
eurjchem-2259	186	19	:	:	PUNCT
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eurjchem-2259	186	22	.	.	PUNCT
eurjchem-2259	187	1	j.	j.	PROPN
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eurjchem-2259	187	3	.	.	PUNCT
eurjchem-2259	188	1	chem	chem	PROPN
eurjchem-2259	188	2	.	.	PUNCT
eurjchem-2259	189	1	soc	soc	PROPN
eurjchem-2259	189	2	.	.	PUNCT
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eurjchem-2259	190	2	,	,	PUNCT
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eurjchem-2259	190	4	,	,	PUNCT
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eurjchem-2259	190	6	.	.	PUNCT
eurjchem-2259	191	1	[	[	X
eurjchem-2259	191	2	15	15	NUM
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eurjchem-2259	191	4	.	.	PUNCT
eurjchem-2259	192	1	karrouchi	karrouchi	PROPN
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eurjchem-2259	192	4	;	;	PUNCT
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eurjchem-2259	192	8	;	;	PUNCT
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eurjchem-2259	192	10	,	,	PUNCT
eurjchem-2259	192	11	y.	y.	PROPN
eurjchem-2259	192	12	;	;	PUNCT
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eurjchem-2259	192	14	,	,	PUNCT
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eurjchem-2259	192	19	y.	y.	PROPN
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eurjchem-2259	192	21	;	;	PUNCT
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eurjchem-2259	192	26	f.	f.	PROPN
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eurjchem-2259	193	1	ansar	ansar	PROPN
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eurjchem-2259	193	10	derivatives	derivative	NOUN
eurjchem-2259	193	11	:	:	PUNCT
eurjchem-2259	193	12	a	a	DET
eurjchem-2259	193	13	review	review	NOUN
eurjchem-2259	193	14	.	.	PUNCT
eurjchem-2259	194	1	molecules	molecule	NOUN
eurjchem-2259	194	2	2018	2018	NUM
eurjchem-2259	194	3	,	,	PUNCT
eurjchem-2259	194	4	23	23	NUM
eurjchem-2259	194	5	,	,	PUNCT
eurjchem-2259	194	6	134	134	NUM
eurjchem-2259	194	7	.	.	PUNCT
eurjchem-2259	195	1	mailto:hibahashim.m@hotmail.com	mailto:hibahashim.m@hotmail.com	AUX
eurjchem-2259	196	1	https://orcid.org/0000-0002-1294-6130	https://orcid.org/0000-0002-1294-6130	VERB
eurjchem-2259	196	2	mailto:amnaelrasheed@gmail.com	mailto:amnaelrasheed@gmail.com	X
eurjchem-2259	196	3	https://orcid.org/0000-0001-7588-0231	https://orcid.org/0000-0001-7588-0231	PROPN
eurjchem-2259	196	4	mailto:aemsaeed@gmail.com	mailto:aemsaeed@gmail.com	X
eurjchem-2259	196	5	https://orcid.org/0000-0002-7317-8040	https://orcid.org/0000-0002-7317-8040	PROPN
eurjchem-2259	196	6	326	326	NUM
eurjchem-2259	196	7	mohamed	mohame	VERB
eurjchem-2259	196	8	et	et	PROPN
eurjchem-2259	196	9	al	al	PROPN
eurjchem-2259	196	10	.	.	PUNCT
eurjchem-2259	196	11	/	/	SYM
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eurjchem-2259	196	13	journal	journal	PROPN
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eurjchem-2259	196	15	chemistry	chemistry	NOUN
eurjchem-2259	196	16	13	13	NUM
eurjchem-2259	196	17	(	(	PUNCT
eurjchem-2259	196	18	3	3	NUM
eurjchem-2259	196	19	)	)	PUNCT
eurjchem-2259	196	20	(	(	PUNCT
eurjchem-2259	196	21	2022	2022	NUM
eurjchem-2259	196	22	)	)	PUNCT
eurjchem-2259	196	23	319	319	NUM
eurjchem-2259	196	24	-	-	SYM
eurjchem-2259	196	25	326	326	NUM
eurjchem-2259	196	26	2022	2022	NUM
eurjchem-2259	196	27	–	–	PUNCT
eurjchem-2259	196	28	european	european	ADJ
eurjchem-2259	196	29	journal	journal	NOUN
eurjchem-2259	196	30	of	of	ADP
eurjchem-2259	196	31	chemistry	chemistry	NOUN
eurjchem-2259	196	32	–	–	PUNCT
eurjchem-2259	196	33	cc	cc	NOUN
eurjchem-2259	196	34	by	by	ADP
eurjchem-2259	196	35	nc	nc	PROPN
eurjchem-2259	196	36	–	–	PUNCT
eurjchem-2259	196	37	doi	doi	NOUN
eurjchem-2259	196	38	:	:	PUNCT
eurjchem-2259	196	39	10.5155	10.5155	NUM
eurjchem-2259	196	40	/	/	SYM
eurjchem-2259	196	41	eurjchem.13.3.319	eurjchem.13.3.319	NOUN
eurjchem-2259	196	42	-	-	PUNCT
eurjchem-2259	196	43	326.2259	326.2259	NUM
eurjchem-2259	197	1	[	[	X
eurjchem-2259	197	2	16	16	NUM
eurjchem-2259	197	3	]	]	PUNCT
eurjchem-2259	197	4	.	.	PUNCT
eurjchem-2259	198	1	halder	halder	PROPN
eurjchem-2259	198	2	,	,	PUNCT
eurjchem-2259	198	3	a.	a.	PROPN
eurjchem-2259	198	4	k.	k.	PROPN
eurjchem-2259	198	5	;	;	PUNCT
eurjchem-2259	198	6	moura	moura	NOUN
eurjchem-2259	198	7	,	,	PUNCT
eurjchem-2259	198	8	a.	a.	PROPN
eurjchem-2259	198	9	s.	s.	PROPN
eurjchem-2259	198	10	;	;	PUNCT
eurjchem-2259	198	11	cordeiro	cordeiro	PROPN
eurjchem-2259	198	12	,	,	PUNCT
eurjchem-2259	198	13	m.	m.	PROPN
eurjchem-2259	198	14	n.	n.	PROPN
eurjchem-2259	198	15	d.	d.	PROPN
eurjchem-2259	198	16	s.	s.	PROPN
eurjchem-2259	198	17	qsar	qsar	PROPN
eurjchem-2259	198	18	modelling	modelling	NOUN
eurjchem-2259	198	19	:	:	PUNCT
eurjchem-2259	198	20	a	a	DET
eurjchem-2259	198	21	therapeutic	therapeutic	ADJ
eurjchem-2259	198	22	patent	patent	NOUN
eurjchem-2259	198	23	review	review	NOUN
eurjchem-2259	198	24	2010	2010	NUM
eurjchem-2259	198	25	-	-	PUNCT
eurjchem-2259	198	26	present	present	ADJ
eurjchem-2259	198	27	.	.	PUNCT
eurjchem-2259	199	1	expert	expert	NOUN
eurjchem-2259	199	2	opin	opin	NOUN
eurjchem-2259	199	3	.	.	PUNCT
eurjchem-2259	200	1	ther	ther	INTJ
eurjchem-2259	200	2	.	.	PUNCT
eurjchem-2259	201	1	pat	pat	PROPN
eurjchem-2259	201	2	.	.	PROPN
eurjchem-2259	201	3	2018	2018	NUM
eurjchem-2259	201	4	,	,	PUNCT
eurjchem-2259	201	5	28	28	NUM
eurjchem-2259	201	6	,	,	PUNCT
eurjchem-2259	201	7	467–476	467–476	NUM
eurjchem-2259	201	8	.	.	PUNCT
eurjchem-2259	202	1	[	[	X
eurjchem-2259	202	2	17	17	NUM
eurjchem-2259	202	3	]	]	PUNCT
eurjchem-2259	202	4	.	.	PUNCT
eurjchem-2259	203	1	kausar	kausar	PROPN
eurjchem-2259	203	2	,	,	PUNCT
eurjchem-2259	203	3	s.	s.	PROPN
eurjchem-2259	203	4	;	;	PUNCT
eurjchem-2259	203	5	falcao	falcao	PROPN
eurjchem-2259	203	6	,	,	PUNCT
eurjchem-2259	203	7	a.	a.	NOUN
eurjchem-2259	203	8	o.	o.	PROPN
eurjchem-2259	203	9	an	an	DET
eurjchem-2259	203	10	automated	automate	VERB
eurjchem-2259	203	11	framework	framework	NOUN
eurjchem-2259	203	12	for	for	ADP
eurjchem-2259	203	13	qsar	qsar	NOUN
eurjchem-2259	203	14	model	model	NOUN
eurjchem-2259	203	15	building	building	NOUN
eurjchem-2259	203	16	.	.	PUNCT
eurjchem-2259	204	1	j.	j.	PROPN
eurjchem-2259	204	2	cheminform	cheminform	PROPN
eurjchem-2259	204	3	.	.	PUNCT
eurjchem-2259	205	1	2018	2018	NUM
eurjchem-2259	205	2	,	,	PUNCT
eurjchem-2259	205	3	10	10	NUM
eurjchem-2259	205	4	,	,	PUNCT
eurjchem-2259	205	5	1	1	NUM
eurjchem-2259	205	6	.	.	PUNCT
eurjchem-2259	206	1	[	[	X
eurjchem-2259	206	2	18	18	NUM
eurjchem-2259	206	3	]	]	PUNCT
eurjchem-2259	206	4	.	.	PUNCT
eurjchem-2259	207	1	muhammad	muhammad	PROPN
eurjchem-2259	207	2	,	,	PUNCT
eurjchem-2259	207	3	u.	u.	PROPN
eurjchem-2259	207	4	;	;	PUNCT
eurjchem-2259	207	5	uzairu	uzairu	PROPN
eurjchem-2259	207	6	,	,	PUNCT
eurjchem-2259	207	7	a.	a.	NOUN
eurjchem-2259	207	8	;	;	PUNCT
eurjchem-2259	207	9	ebuka	ebuka	PROPN
eurjchem-2259	207	10	arthur	arthur	PROPN
eurjchem-2259	207	11	,	,	PUNCT
eurjchem-2259	207	12	d.	d.	PROPN
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eurjchem-2259	207	14	on	on	ADP
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eurjchem-2259	207	20	(	(	PUNCT
eurjchem-2259	207	21	qsar	qsar	NOUN
eurjchem-2259	207	22	)	)	PUNCT
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eurjchem-2259	207	24	.	.	PUNCT
eurjchem-2259	208	1	j.	j.	PROPN
eurjchem-2259	208	2	anal	anal	PROPN
eurjchem-2259	208	3	.	.	PUNCT
eurjchem-2259	209	1	pharm	pharm	PROPN
eurjchem-2259	209	2	.	.	PUNCT
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eurjchem-2259	210	2	.	.	PROPN
eurjchem-2259	210	3	2018	2018	NUM
eurjchem-2259	210	4	,	,	PUNCT
eurjchem-2259	210	5	7	7	NUM
eurjchem-2259	210	6	,	,	PUNCT
eurjchem-2259	210	7	240–242	240–242	NUM
eurjchem-2259	210	8	.	.	PUNCT
eurjchem-2259	211	1	[	[	X
eurjchem-2259	211	2	19	19	NUM
eurjchem-2259	211	3	]	]	PUNCT
eurjchem-2259	211	4	.	.	PUNCT
eurjchem-2259	212	1	wang	wang	PROPN
eurjchem-2259	212	2	,	,	PUNCT
eurjchem-2259	212	3	c.-r	c.-r	PROPN
eurjchem-2259	212	4	.	.	PUNCT
eurjchem-2259	212	5	;	;	PUNCT
eurjchem-2259	212	6	wang	wang	PROPN
eurjchem-2259	212	7	,	,	PUNCT
eurjchem-2259	212	8	z.-f	z.-f	PROPN
eurjchem-2259	212	9	.	.	PUNCT
eurjchem-2259	212	10	;	;	PUNCT
eurjchem-2259	212	11	shi	shi	PROPN
eurjchem-2259	212	12	,	,	PUNCT
eurjchem-2259	212	13	l.	l.	PROPN
eurjchem-2259	212	14	;	;	PUNCT
eurjchem-2259	212	15	wang	wang	PROPN
eurjchem-2259	212	16	,	,	PUNCT
eurjchem-2259	212	17	z.-c	z.-c	PROPN
eurjchem-2259	212	18	.	.	PUNCT
eurjchem-2259	212	19	;	;	PUNCT
eurjchem-2259	213	1	zhu	zhu	PROPN
eurjchem-2259	213	2	,	,	PUNCT
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eurjchem-2259	213	4	.	.	PUNCT
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eurjchem-2259	214	2	,	,	PUNCT
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eurjchem-2259	214	4	,	,	PUNCT
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eurjchem-2259	214	8	of	of	ADP
eurjchem-2259	214	9	pyrazole	pyrazole	NOUN
eurjchem-2259	214	10	derivatives	derivative	NOUN
eurjchem-2259	214	11	containing	contain	VERB
eurjchem-2259	214	12	acetamide	acetamide	NOUN
eurjchem-2259	214	13	bond	bond	NOUN
eurjchem-2259	214	14	as	as	ADP
eurjchem-2259	214	15	potential	potential	ADJ
eurjchem-2259	214	16	braf	braf	NOUN
eurjchem-2259	214	17	v600e	v600e	VERB
eurjchem-2259	214	18	inhibitors	inhibitor	NOUN
eurjchem-2259	214	19	.	.	PUNCT
eurjchem-2259	215	1	bioorg	bioorg	VERB
eurjchem-2259	215	2	.	.	PUNCT
eurjchem-2259	216	1	med	med	PROPN
eurjchem-2259	216	2	.	.	PROPN
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eurjchem-2259	216	4	.	.	PUNCT
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eurjchem-2259	217	2	.	.	PROPN
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eurjchem-2259	218	2	,	,	PUNCT
eurjchem-2259	218	3	28	28	NUM
eurjchem-2259	218	4	,	,	PUNCT
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eurjchem-2259	218	6	.	.	PUNCT
eurjchem-2259	219	1	[	[	X
eurjchem-2259	219	2	20	20	NUM
eurjchem-2259	219	3	]	]	PUNCT
eurjchem-2259	219	4	.	.	PUNCT
eurjchem-2259	220	1	acd	acd	PROPN
eurjchem-2259	220	2	/	/	SYM
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eurjchem-2259	220	4	,	,	PUNCT
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eurjchem-2259	220	7	,	,	PUNCT
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eurjchem-2259	220	10	development	development	NOUN
eurjchem-2259	220	11	,	,	PUNCT
eurjchem-2259	220	12	inc	inc	PROPN
eurjchem-2259	220	13	.	.	PROPN
eurjchem-2259	220	14	(	(	PUNCT
eurjchem-2259	220	15	acd	acd	NOUN
eurjchem-2259	220	16	/	/	SYM
eurjchem-2259	220	17	labs	lab	NOUN
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eurjchem-2259	220	19	,	,	PUNCT
eurjchem-2259	220	20	toronto	toronto	PROPN
eurjchem-2259	220	21	,	,	PUNCT
eurjchem-2259	220	22	on	on	ADP
eurjchem-2259	220	23	,	,	PUNCT
eurjchem-2259	220	24	canada	canada	PROPN
eurjchem-2259	220	25	,	,	PUNCT
eurjchem-2259	220	26	www.acdlabs.com	www.acdlabs.com	X
eurjchem-2259	220	27	(	(	PUNCT
eurjchem-2259	220	28	accessed	access	VERB
eurjchem-2259	220	29	june	june	PROPN
eurjchem-2259	220	30	2	2	NUM
eurjchem-2259	220	31	,	,	PUNCT
eurjchem-2259	220	32	2022	2022	NUM
eurjchem-2259	220	33	)	)	PUNCT
eurjchem-2259	220	34	.	.	PUNCT
eurjchem-2259	221	1	[	[	X
eurjchem-2259	221	2	21	21	NUM
eurjchem-2259	221	3	]	]	PUNCT
eurjchem-2259	221	4	.	.	PUNCT
eurjchem-2259	222	1	molecular	molecular	ADJ
eurjchem-2259	222	2	operating	operating	NOUN
eurjchem-2259	222	3	environment	environment	NOUN
eurjchem-2259	222	4	(	(	PUNCT
eurjchem-2259	222	5	moe	moe	NOUN
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eurjchem-2259	222	7	,	,	PUNCT
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eurjchem-2259	222	10	computing	computing	NOUN
eurjchem-2259	222	11	group	group	NOUN
eurjchem-2259	222	12	ulc	ulc	PROPN
eurjchem-2259	222	13	,	,	PUNCT
eurjchem-2259	222	14	1010	1010	NUM
eurjchem-2259	222	15	sherbooke	sherbooke	VERB
eurjchem-2259	222	16	st	st	PROPN
eurjchem-2259	222	17	.	.	PROPN
eurjchem-2259	222	18	west	west	PROPN
eurjchem-2259	222	19	,	,	PUNCT
eurjchem-2259	222	20	suite	suite	NOUN
eurjchem-2259	222	21	#	#	SYM
eurjchem-2259	222	22	910	910	NUM
eurjchem-2259	222	23	,	,	PUNCT
eurjchem-2259	222	24	montreal	montreal	PROPN
eurjchem-2259	222	25	,	,	PUNCT
eurjchem-2259	222	26	qc	qc	PROPN
eurjchem-2259	222	27	,	,	PUNCT
eurjchem-2259	222	28	canada	canada	PROPN
eurjchem-2259	222	29	,	,	PUNCT
eurjchem-2259	222	30	h3a	h3a	X
eurjchem-2259	222	31	2r7	2r7	NUM
eurjchem-2259	222	32	,	,	PUNCT
eurjchem-2259	222	33	2022	2022	NUM
eurjchem-2259	222	34	.	.	PUNCT
eurjchem-2259	223	1	[	[	X
eurjchem-2259	223	2	22	22	NUM
eurjchem-2259	223	3	]	]	PUNCT
eurjchem-2259	223	4	.	.	PUNCT
eurjchem-2259	224	1	berman	berman	PROPN
eurjchem-2259	224	2	,	,	PUNCT
eurjchem-2259	224	3	h.	h.	PROPN
eurjchem-2259	224	4	m.	m.	PROPN
eurjchem-2259	224	5	;	;	PUNCT
eurjchem-2259	224	6	henrick	henrick	PROPN
eurjchem-2259	224	7	,	,	PUNCT
eurjchem-2259	224	8	k.	k.	PROPN
eurjchem-2259	224	9	;	;	PUNCT
eurjchem-2259	224	10	nakamura	nakamura	PROPN
eurjchem-2259	224	11	,	,	PUNCT
eurjchem-2259	224	12	h.	h.	PROPN
eurjchem-2259	224	13	announcing	announce	VERB
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eurjchem-2259	224	15	worldwide	worldwide	ADJ
eurjchem-2259	224	16	protein	protein	NOUN
eurjchem-2259	224	17	data	datum	NOUN
eurjchem-2259	224	18	bank	bank	PROPN
eurjchem-2259	224	19	nature	nature	PROPN
eurjchem-2259	224	20	structural	structural	ADJ
eurjchem-2259	224	21	biology	biology	NOUN
eurjchem-2259	224	22	10	10	NUM
eurjchem-2259	224	23	(	(	PUNCT
eurjchem-2259	224	24	12	12	NUM
eurjchem-2259	224	25	):	):	PUNCT
eurjchem-2259	224	26	980	980	NUM
eurjchem-2259	224	27	,	,	PUNCT
eurjchem-2259	224	28	2003	2003	NUM
eurjchem-2259	224	29	,	,	PUNCT
eurjchem-2259	224	30	https://www.rcsb.org/structure/5jrq	https://www.rcsb.org/structure/5jrq	PROPN
eurjchem-2259	224	31	(	(	PUNCT
eurjchem-2259	224	32	accessed	access	VERB
eurjchem-2259	224	33	june	june	PROPN
eurjchem-2259	224	34	2	2	NUM
eurjchem-2259	224	35	,	,	PUNCT
eurjchem-2259	224	36	2022	2022	NUM
eurjchem-2259	224	37	)	)	PUNCT
eurjchem-2259	224	38	.	.	PUNCT
eurjchem-2259	225	1	copyright	copyright	NOUN
eurjchem-2259	225	2	©	©	ADP
eurjchem-2259	225	3	2022	2022	NUM
eurjchem-2259	225	4	by	by	ADP
eurjchem-2259	225	5	authors	author	NOUN
eurjchem-2259	225	6	.	.	PUNCT
eurjchem-2259	226	1	this	this	DET
eurjchem-2259	226	2	work	work	NOUN
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eurjchem-2259	226	4	published	publish	VERB
eurjchem-2259	226	5	and	and	CCONJ
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eurjchem-2259	226	7	by	by	ADP
eurjchem-2259	226	8	atlanta	atlanta	PROPN
eurjchem-2259	226	9	publishing	publishing	PROPN
eurjchem-2259	226	10	house	house	PROPN
eurjchem-2259	226	11	llc	llc	PROPN
eurjchem-2259	226	12	,	,	PUNCT
eurjchem-2259	226	13	atlanta	atlanta	PROPN
eurjchem-2259	226	14	,	,	PUNCT
eurjchem-2259	226	15	ga	ga	PROPN
eurjchem-2259	226	16	,	,	PUNCT
eurjchem-2259	226	17	usa	usa	PROPN
eurjchem-2259	226	18	.	.	PUNCT
eurjchem-2259	227	1	the	the	DET
eurjchem-2259	227	2	full	full	ADJ
eurjchem-2259	227	3	terms	term	NOUN
eurjchem-2259	227	4	of	of	ADP
eurjchem-2259	227	5	this	this	DET
eurjchem-2259	227	6	license	license	NOUN
eurjchem-2259	227	7	are	be	AUX
eurjchem-2259	227	8	available	available	ADJ
eurjchem-2259	227	9	at	at	ADP
eurjchem-2259	227	10	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2259	227	11	and	and	CCONJ
eurjchem-2259	227	12	incorporate	incorporate	VERB
eurjchem-2259	227	13	the	the	DET
eurjchem-2259	227	14	creative	creative	ADJ
eurjchem-2259	227	15	commons	common	NOUN
eurjchem-2259	227	16	attribution	attribution	NOUN
eurjchem-2259	227	17	-	-	PUNCT
eurjchem-2259	227	18	non	non	ADJ
eurjchem-2259	227	19	commercial	commercial	NOUN
eurjchem-2259	227	20	(	(	PUNCT
eurjchem-2259	227	21	cc	cc	NOUN
eurjchem-2259	227	22	by	by	ADP
eurjchem-2259	227	23	nc	nc	PROPN
eurjchem-2259	227	24	)	)	PUNCT
eurjchem-2259	227	25	(	(	PUNCT
eurjchem-2259	227	26	international	international	ADJ
eurjchem-2259	227	27	,	,	PUNCT
eurjchem-2259	227	28	v4.0	v4.0	NOUN
eurjchem-2259	227	29	)	)	PUNCT
eurjchem-2259	227	30	license	license	NOUN
eurjchem-2259	227	31	(	(	PUNCT
eurjchem-2259	227	32	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	NOUN
eurjchem-2259	227	33	)	)	PUNCT
eurjchem-2259	227	34	.	.	PUNCT
eurjchem-2259	228	1	by	by	ADP
eurjchem-2259	228	2	accessing	access	VERB
eurjchem-2259	228	3	the	the	DET
eurjchem-2259	228	4	work	work	NOUN
eurjchem-2259	228	5	,	,	PUNCT
eurjchem-2259	228	6	you	you	PRON
eurjchem-2259	228	7	hereby	hereby	ADV
eurjchem-2259	228	8	accept	accept	VERB
eurjchem-2259	228	9	the	the	DET
eurjchem-2259	228	10	terms	term	NOUN
eurjchem-2259	228	11	.	.	PUNCT
eurjchem-2259	229	1	this	this	PRON
eurjchem-2259	229	2	is	be	AUX
eurjchem-2259	229	3	an	an	DET
eurjchem-2259	229	4	open	open	ADJ
eurjchem-2259	229	5	access	access	NOUN
eurjchem-2259	229	6	article	article	NOUN
eurjchem-2259	229	7	distributed	distribute	VERB
eurjchem-2259	229	8	under	under	ADP
eurjchem-2259	229	9	the	the	DET
eurjchem-2259	229	10	terms	term	NOUN
eurjchem-2259	229	11	and	and	CCONJ
eurjchem-2259	229	12	conditions	condition	NOUN
eurjchem-2259	229	13	of	of	ADP
eurjchem-2259	229	14	the	the	DET
eurjchem-2259	229	15	cc	cc	PROPN
eurjchem-2259	229	16	by	by	ADP
eurjchem-2259	229	17	nc	nc	PROPN
eurjchem-2259	229	18	license	license	PROPN
eurjchem-2259	229	19	,	,	PUNCT
eurjchem-2259	229	20	which	which	PRON
eurjchem-2259	229	21	permits	permit	VERB
eurjchem-2259	229	22	unrestricted	unrestricted	ADJ
eurjchem-2259	229	23	non	non	ADJ
eurjchem-2259	229	24	-	-	ADJ
eurjchem-2259	229	25	commercial	commercial	ADJ
eurjchem-2259	229	26	use	use	NOUN
eurjchem-2259	229	27	,	,	PUNCT
eurjchem-2259	229	28	distribution	distribution	NOUN
eurjchem-2259	229	29	,	,	PUNCT
eurjchem-2259	229	30	and	and	CCONJ
eurjchem-2259	229	31	reproduction	reproduction	NOUN
eurjchem-2259	229	32	in	in	ADP
eurjchem-2259	229	33	any	any	DET
eurjchem-2259	229	34	medium	medium	NOUN
eurjchem-2259	229	35	,	,	PUNCT
eurjchem-2259	229	36	provided	provide	VERB
eurjchem-2259	229	37	the	the	DET
eurjchem-2259	229	38	original	original	ADJ
eurjchem-2259	229	39	work	work	NOUN
eurjchem-2259	229	40	is	be	AUX
eurjchem-2259	229	41	properly	properly	ADV
eurjchem-2259	229	42	cited	cite	VERB
eurjchem-2259	229	43	without	without	ADP
eurjchem-2259	229	44	any	any	DET
eurjchem-2259	229	45	further	further	ADJ
eurjchem-2259	229	46	permission	permission	NOUN
eurjchem-2259	229	47	from	from	ADP
eurjchem-2259	229	48	atlanta	atlanta	PROPN
eurjchem-2259	229	49	publishing	publishing	PROPN
eurjchem-2259	229	50	house	house	PROPN
eurjchem-2259	229	51	llc	llc	PROPN
eurjchem-2259	229	52	(	(	PUNCT
eurjchem-2259	229	53	european	european	PROPN
eurjchem-2259	229	54	journal	journal	PROPN
eurjchem-2259	229	55	of	of	ADP
eurjchem-2259	229	56	chemistry	chemistry	NOUN
eurjchem-2259	229	57	)	)	PUNCT
eurjchem-2259	229	58	.	.	PUNCT
eurjchem-2259	230	1	no	no	DET
eurjchem-2259	230	2	use	use	NOUN
eurjchem-2259	230	3	,	,	PUNCT
eurjchem-2259	230	4	distribution	distribution	NOUN
eurjchem-2259	230	5	or	or	CCONJ
eurjchem-2259	230	6	reproduction	reproduction	NOUN
eurjchem-2259	230	7	is	be	AUX
eurjchem-2259	230	8	permitted	permit	VERB
eurjchem-2259	230	9	which	which	PRON
eurjchem-2259	230	10	does	do	AUX
eurjchem-2259	230	11	not	not	PART
eurjchem-2259	230	12	comply	comply	VERB
eurjchem-2259	230	13	with	with	ADP
eurjchem-2259	230	14	these	these	DET
eurjchem-2259	230	15	terms	term	NOUN
eurjchem-2259	230	16	.	.	PUNCT
eurjchem-2259	231	1	permissions	permission	NOUN
eurjchem-2259	231	2	for	for	ADP
eurjchem-2259	231	3	commercial	commercial	ADJ
eurjchem-2259	231	4	use	use	NOUN
eurjchem-2259	231	5	of	of	ADP
eurjchem-2259	231	6	this	this	DET
eurjchem-2259	231	7	work	work	NOUN
eurjchem-2259	231	8	beyond	beyond	ADP
eurjchem-2259	231	9	the	the	DET
eurjchem-2259	231	10	scope	scope	NOUN
eurjchem-2259	231	11	of	of	ADP
eurjchem-2259	231	12	the	the	DET
eurjchem-2259	231	13	license	license	NOUN
eurjchem-2259	231	14	(	(	PUNCT
eurjchem-2259	231	15	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2259	231	16	)	)	PUNCT
eurjchem-2259	231	17	are	be	AUX
eurjchem-2259	231	18	administered	administer	VERB
eurjchem-2259	231	19	by	by	ADP
eurjchem-2259	231	20	atlanta	atlanta	PROPN
eurjchem-2259	231	21	publishing	publishing	PROPN
eurjchem-2259	231	22	house	house	PROPN
eurjchem-2259	231	23	llc	llc	PROPN
eurjchem-2259	231	24	(	(	PUNCT
eurjchem-2259	231	25	european	european	PROPN
eurjchem-2259	231	26	journal	journal	PROPN
eurjchem-2259	231	27	of	of	ADP
eurjchem-2259	231	28	chemistry	chemistry	NOUN
eurjchem-2259	231	29	)	)	PUNCT
eurjchem-2259	231	30	.	.	PUNCT
eurjchem-2259	232	1	http://www.acdlabs.com/	http://www.acdlabs.com/	VERB
eurjchem-2259	233	1	https://www.rcsb.org/structure/5jrq	https://www.rcsb.org/structure/5jrq	PROPN
eurjchem-2259	233	2	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	PROPN
eurjchem-2259	233	3	http://creativecommons.org/licenses/by-nc/4.0	http://creativecommons.org/licenses/by-nc/4.0	PROPN
eurjchem-2259	233	4	http://www.eurjchem.com/index.php/eurjchem/pages/view/terms	http://www.eurjchem.com/index.php/eurjchem/pages/view/term	NOUN
eurjchem-2259	233	5	1	1	NUM
eurjchem-2259	233	6	.	.	PUNCT
eurjchem-2259	233	7	introduction	introduction	NOUN
eurjchem-2259	233	8	2	2	NUM
eurjchem-2259	233	9	.	.	PUNCT
eurjchem-2259	233	10	experimental	experimental	ADJ
eurjchem-2259	233	11	2.1	2.1	NUM
eurjchem-2259	233	12	.	.	PUNCT
eurjchem-2259	233	13	qsar	qsar	PROPN
eurjchem-2259	233	14	studies	study	NOUN
eurjchem-2259	233	15	2.1.1	2.1.1	NUM
eurjchem-2259	233	16	.	.	PUNCT
eurjchem-2259	234	1	data	datum	NOUN
eurjchem-2259	234	2	set	set	VERB
eurjchem-2259	234	3	2.1.2	2.1.2	NUM
eurjchem-2259	234	4	.	.	PUNCT
eurjchem-2259	235	1	molecular	molecular	ADJ
eurjchem-2259	235	2	descriptor	descriptor	NOUN
eurjchem-2259	235	3	generation	generation	NOUN
eurjchem-2259	235	4	2.1.3	2.1.3	NUM
eurjchem-2259	235	5	.	.	PUNCT
eurjchem-2259	235	6	qsar	qsar	PROPN
eurjchem-2259	235	7	model	model	PROPN
eurjchem-2259	235	8	development	development	PROPN
eurjchem-2259	235	9	2.1.4	2.1.4	PROPN
eurjchem-2259	235	10	.	.	PUNCT
eurjchem-2259	236	1	validation	validation	NOUN
eurjchem-2259	236	2	of	of	ADP
eurjchem-2259	236	3	the	the	DET
eurjchem-2259	236	4	qsar	qsar	PROPN
eurjchem-2259	236	5	model	model	PROPN
eurjchem-2259	236	6	2.1.5	2.1.5	PROPN
eurjchem-2259	236	7	.	.	PUNCT
eurjchem-2259	236	8	predict	predict	VERB
eurjchem-2259	236	9	the	the	DET
eurjchem-2259	236	10	activity	activity	NOUN
eurjchem-2259	236	11	of	of	ADP
eurjchem-2259	236	12	designed	design	VERB
eurjchem-2259	236	13	3,5	3,5	NUM
eurjchem-2259	236	14	-	-	PUNCT
eurjchem-2259	236	15	dimethylpyrazole	dimethylpyrazole	ADJ
eurjchem-2259	236	16	derivatives	derivative	NOUN
eurjchem-2259	236	17	(	(	PUNCT
eurjchem-2259	236	18	22	22	NUM
eurjchem-2259	236	19	-	-	SYM
eurjchem-2259	236	20	36	36	NUM
eurjchem-2259	236	21	)	)	PUNCT
eurjchem-2259	236	22	2.2	2.2	NUM
eurjchem-2259	236	23	.	.	PUNCT
eurjchem-2259	237	1	molecular	molecular	ADJ
eurjchem-2259	237	2	docking	docking	NOUN
eurjchem-2259	237	3	3	3	NUM
eurjchem-2259	237	4	.	.	NOUN
eurjchem-2259	237	5	results	result	NOUN
eurjchem-2259	237	6	and	and	CCONJ
eurjchem-2259	237	7	discussion	discussion	NOUN
eurjchem-2259	237	8	3.1	3.1	NUM
eurjchem-2259	237	9	.	.	PUNCT
eurjchem-2259	237	10	qsar	qsar	PROPN
eurjchem-2259	237	11	studies	study	NOUN
eurjchem-2259	237	12	3.2	3.2	NUM
eurjchem-2259	237	13	.	.	PUNCT
eurjchem-2259	238	1	docking	dock	VERB
eurjchem-2259	238	2	study	study	NOUN
eurjchem-2259	238	3	4	4	NUM
eurjchem-2259	238	4	.	.	PUNCT
eurjchem-2259	239	1	conclusions	conclusion	NOUN
eurjchem-2259	239	2	disclosure	disclosure	NOUN
eurjchem-2259	239	3	statement	statement	NOUN
eurjchem-2259	239	4	credit	credit	NOUN
eurjchem-2259	239	5	authorship	authorship	NOUN
eurjchem-2259	239	6	contribution	contribution	NOUN
eurjchem-2259	239	7	statement	statement	NOUN
eurjchem-2259	239	8	orcid	orcid	NOUN
eurjchem-2259	239	9	and	and	CCONJ
eurjchem-2259	239	10	email	email	NOUN
eurjchem-2259	239	11	references	reference	NOUN
eurjchem-2259	239	12	printfield10	printfield10	PROPN
eurjchem-2259	239	13	:	:	PUNCT
eurjchem-2259	239	14	printfield11	printfield11	NOUN
eurjchem-2259	239	15	:	:	PUNCT
eurjchem-2259	239	16	printfield12	printfield12	PROPN
eurjchem-2259	239	17	:	:	PUNCT
eurjchem-2259	239	18	printfield13	printfield13	VERB
eurjchem-2259	239	19	:	:	PUNCT
eurjchem-2259	239	20	printfield14	printfield14	NOUN
eurjchem-2259	239	21	:	:	PUNCT
eurjchem-2259	239	22	printfield15	printfield15	NOUN
eurjchem-2259	239	23	:	:	PUNCT
eurjchem-2259	239	24	printfield16	printfield16	ADJ
eurjchem-2259	239	25	:	:	PUNCT
eurjchem-2259	239	26	printfield17	printfield17	NOUN
eurjchem-2259	239	27	:	:	PUNCT
eurjchem-2259	239	28	printfield20	printfield20	PROPN
eurjchem-2259	239	29	:	:	PUNCT
eurjchem-2259	240	1	printfield21	printfield21	ADJ
eurjchem-2259	240	2	:	:	PUNCT
eurjchem-2259	240	3	printfield22	printfield22	NOUN
eurjchem-2259	240	4	:	:	PUNCT
eurjchem-2259	240	5	printfield23	printfield23	NOUN
eurjchem-2259	240	6	:	:	PUNCT
eurjchem-2259	240	7	printfield24	printfield24	NOUN
eurjchem-2259	240	8	:	:	PUNCT
eurjchem-2259	240	9	printfield25	printfield25	NOUN
eurjchem-2259	240	10	:	:	PUNCT
eurjchem-2259	240	11	printfield26	printfield26	ADJ
eurjchem-2259	240	12	:	:	PUNCT
eurjchem-2259	240	13	printfield27	printfield27	NOUN
eurjchem-2259	240	14	:	:	PUNCT