id	sid	tid	token	lemma	pos
admet-1879	1	1	synthetic	synthetic	ADJ
admet-1879	1	2	routes	route	NOUN
admet-1879	1	3	to	to	ADP
admet-1879	1	4	theranostic	theranostic	ADJ
admet-1879	1	5	applications	application	NOUN
admet-1879	1	6	of	of	ADP
admet-1879	1	7	carbon	carbon	NOUN
admet-1879	1	8	-	-	PUNCT
admet-1879	1	9	based	base	VERB
admet-1879	1	10	quantum	quantum	NOUN
admet-1879	1	11	dots	dot	NOUN
admet-1879	1	12	doi	doi	NOUN
admet-1879	1	13	:	:	PUNCT
admet-1879	1	14	https://doi.org/10.5599/admet.1879	https://doi.org/10.5599/admet.1879	NOUN
admet-1879	1	15	317	317	NUM
admet-1879	1	16	admet	admet	X
admet-1879	1	17	&	&	CCONJ
admet-1879	1	18	dmpk	dmpk	PROPN
admet-1879	1	19	11(3	11(3	NUM
admet-1879	1	20	)	)	PUNCT
admet-1879	1	21	(	(	PUNCT
admet-1879	1	22	2023	2023	NUM
admet-1879	1	23	)	)	PUNCT
admet-1879	1	24	317	317	NUM
admet-1879	1	25	-	-	SYM
admet-1879	1	26	330	330	NUM
admet-1879	1	27	;	;	PUNCT
admet-1879	1	28	doi	doi	NOUN
admet-1879	1	29	:	:	PUNCT
admet-1879	1	30	https://doi.org/10.5599/admet.1879	https://doi.org/10.5599/admet.1879	NOUN
admet-1879	1	31	open	open	ADJ
admet-1879	1	32	access	access	NOUN
admet-1879	1	33	:	:	PUNCT
admet-1879	1	34	issn	issn	PROPN
admet-1879	1	35	:	:	PUNCT
admet-1879	1	36	1848	1848	NUM
admet-1879	1	37	-	-	SYM
admet-1879	1	38	7718	7718	NUM
admet-1879	1	39	http://www.pub.iapchem.org/ojs/index.php/admet/index	http://www.pub.iapchem.org/ojs/index.php/admet/index	NOUN
admet-1879	1	40	review	review	VERB
admet-1879	1	41	mechanistically	mechanistically	ADV
admet-1879	1	42	transparent	transparent	ADJ
admet-1879	1	43	models	model	NOUN
admet-1879	1	44	for	for	ADP
admet-1879	1	45	predicting	predict	VERB
admet-1879	1	46	aqueous	aqueous	ADJ
admet-1879	1	47	solubility	solubility	NOUN
admet-1879	1	48	of	of	ADP
admet-1879	1	49	rigid	rigid	ADJ
admet-1879	1	50	,	,	PUNCT
admet-1879	1	51	slightly	slightly	ADV
admet-1879	1	52	flexible	flexible	ADJ
admet-1879	1	53	,	,	PUNCT
admet-1879	1	54	and	and	CCONJ
admet-1879	1	55	very	very	ADV
admet-1879	1	56	flexible	flexible	ADJ
admet-1879	1	57	drugs	drug	NOUN
admet-1879	1	58	(	(	PUNCT
admet-1879	1	59	mw<2000	mw<2000	NOUN
admet-1879	1	60	)	)	PUNCT
admet-1879	1	61	accuracy	accuracy	NOUN
admet-1879	1	62	near	near	ADP
admet-1879	1	63	that	that	PRON
admet-1879	1	64	of	of	ADP
admet-1879	1	65	random	random	ADJ
admet-1879	1	66	forest	forest	NOUN
admet-1879	1	67	regression	regression	NOUN
admet-1879	1	68	alex	alex	PROPN
admet-1879	1	69	avdeef	avdeef	PROPN
admet-1879	1	70	in	in	ADP
admet-1879	1	71	-	-	PUNCT
admet-1879	1	72	adme	adme	NOUN
admet-1879	1	73	research	research	NOUN
admet-1879	1	74	,	,	PUNCT
admet-1879	1	75	new	new	PROPN
admet-1879	1	76	york	york	PROPN
admet-1879	1	77	,	,	PUNCT
admet-1879	1	78	ny	ny	PROPN
admet-1879	1	79	10128	10128	NUM
admet-1879	1	80	usa	usa	PROPN
admet-1879	1	81	*	*	PUNCT
admet-1879	1	82	corresponding	correspond	VERB
admet-1879	1	83	author	author	NOUN
admet-1879	1	84	:	:	PUNCT
admet-1879	1	85	e	e	NOUN
admet-1879	1	86	-	-	NOUN
admet-1879	1	87	mail	mail	NOUN
admet-1879	1	88	:	:	PUNCT
admet-1879	1	89	alex@in-adme.com	alex@in-adme.com	NOUN
admet-1879	1	90	;	;	PUNCT
admet-1879	1	91	tel	tel	PROPN
admet-1879	1	92	.	.	PUNCT
admet-1879	1	93	:	:	PUNCT
admet-1879	2	1	+1	+1	PROPN
admet-1879	2	2	-	-	PUNCT
admet-1879	2	3	646	646	NUM
admet-1879	2	4	-	-	PUNCT
admet-1879	2	5	678	678	NUM
admet-1879	2	6	-	-	SYM
admet-1879	2	7	5713	5713	NUM
admet-1879	2	8	received	receive	VERB
admet-1879	2	9	:	:	PUNCT
admet-1879	2	10	may	may	AUX
admet-1879	2	11	8	8	NUM
admet-1879	2	12	,	,	PUNCT
admet-1879	2	13	2023	2023	NUM
admet-1879	2	14	;	;	PUNCT
admet-1879	2	15	revised	revise	VERB
admet-1879	2	16	:	:	PUNCT
admet-1879	2	17	august	august	PROPN
admet-1879	2	18	15	15	NUM
admet-1879	2	19	,	,	PUNCT
admet-1879	2	20	2023	2023	NUM
admet-1879	2	21	;	;	PUNCT
admet-1879	2	22	published	publish	VERB
admet-1879	2	23	:	:	PUNCT
admet-1879	2	24	august	august	PROPN
admet-1879	2	25	21	21	NUM
admet-1879	2	26	,	,	PUNCT
admet-1879	2	27	2023	2023	NUM
admet-1879	2	28	abstract	abstract	ADJ
admet-1879	2	29	yalkowsky	yalkowsky	NOUN
admet-1879	2	30	’s	’s	PART
admet-1879	2	31	general	general	ADJ
admet-1879	2	32	solubility	solubility	NOUN
admet-1879	2	33	equation	equation	NOUN
admet-1879	2	34	(	(	PUNCT
admet-1879	2	35	gse	gse	PROPN
admet-1879	2	36	)	)	PUNCT
admet-1879	2	37	,	,	PUNCT
admet-1879	2	38	with	with	ADP
admet-1879	2	39	its	its	PRON
admet-1879	2	40	three	three	NUM
admet-1879	2	41	fixed	fix	VERB
admet-1879	2	42	constants	constant	NOUN
admet-1879	2	43	,	,	PUNCT
admet-1879	2	44	is	be	AUX
admet-1879	2	45	popular	popular	ADJ
admet-1879	2	46	and	and	CCONJ
admet-1879	2	47	easy	easy	ADJ
admet-1879	2	48	to	to	PART
admet-1879	2	49	apply	apply	VERB
admet-1879	2	50	,	,	PUNCT
admet-1879	2	51	but	but	CCONJ
admet-1879	2	52	is	be	AUX
admet-1879	2	53	not	not	PART
admet-1879	2	54	very	very	ADV
admet-1879	2	55	accurate	accurate	ADJ
admet-1879	2	56	for	for	ADP
admet-1879	2	57	polar	polar	ADJ
admet-1879	2	58	,	,	PUNCT
admet-1879	2	59	zwitterionic	zwitterionic	ADJ
admet-1879	2	60	,	,	PUNCT
admet-1879	2	61	or	or	CCONJ
admet-1879	2	62	flexible	flexible	ADJ
admet-1879	2	63	molecules	molecule	NOUN
admet-1879	2	64	.	.	PUNCT
admet-1879	3	1	this	this	DET
admet-1879	3	2	review	review	NOUN
admet-1879	3	3	examines	examine	VERB
admet-1879	3	4	the	the	DET
admet-1879	3	5	findings	finding	NOUN
admet-1879	3	6	of	of	ADP
admet-1879	3	7	a	a	DET
admet-1879	3	8	series	series	NOUN
admet-1879	3	9	of	of	ADP
admet-1879	3	10	studies	study	NOUN
admet-1879	3	11	,	,	PUNCT
admet-1879	3	12	where	where	SCONJ
admet-1879	3	13	we	we	PRON
admet-1879	3	14	have	have	AUX
admet-1879	3	15	sought	seek	VERB
admet-1879	3	16	to	to	PART
admet-1879	3	17	come	come	VERB
admet-1879	3	18	up	up	ADP
admet-1879	3	19	with	with	ADP
admet-1879	3	20	a	a	DET
admet-1879	3	21	better	well	ADJ
admet-1879	3	22	prediction	prediction	NOUN
admet-1879	3	23	model	model	NOUN
admet-1879	3	24	,	,	PUNCT
admet-1879	3	25	by	by	ADP
admet-1879	3	26	comparing	compare	VERB
admet-1879	3	27	the	the	DET
admet-1879	3	28	performances	performance	NOUN
admet-1879	3	29	of	of	ADP
admet-1879	3	30	the	the	DET
admet-1879	3	31	gse	gse	PROPN
admet-1879	3	32	to	to	ADP
admet-1879	3	33	abraham	abraham	PROPN
admet-1879	3	34	’s	’s	PART
admet-1879	3	35	solvation	solvation	NOUN
admet-1879	3	36	equation	equation	NOUN
admet-1879	3	37	(	(	PUNCT
admet-1879	3	38	absolv	absolv	NOUN
admet-1879	3	39	)	)	PUNCT
admet-1879	3	40	,	,	PUNCT
admet-1879	3	41	and	and	CCONJ
admet-1879	3	42	random	random	ADJ
admet-1879	3	43	forest	forest	NOUN
admet-1879	3	44	regression	regression	NOUN
admet-1879	3	45	(	(	PUNCT
admet-1879	3	46	rfr	rfr	PROPN
admet-1879	3	47	)	)	PUNCT
admet-1879	3	48	machine	machine	NOUN
admet-1879	3	49	-	-	PUNCT
admet-1879	3	50	learning	learning	NOUN
admet-1879	3	51	(	(	PUNCT
admet-1879	3	52	ml	ml	NOUN
admet-1879	3	53	)	)	PUNCT
admet-1879	3	54	method	method	NOUN
admet-1879	3	55	.	.	PUNCT
admet-1879	4	1	large	large	ADJ
admet-1879	4	2	,	,	PUNCT
admet-1879	4	3	well	well	ADV
admet-1879	4	4	-	-	PUNCT
admet-1879	4	5	curated	curate	VERB
admet-1879	4	6	aqueous	aqueous	ADJ
admet-1879	4	7	intrinsic	intrinsic	ADJ
admet-1879	4	8	solubility	solubility	NOUN
admet-1879	4	9	databases	database	NOUN
admet-1879	4	10	are	be	AUX
admet-1879	4	11	available	available	ADJ
admet-1879	4	12	.	.	PUNCT
admet-1879	5	1	however	however	ADV
admet-1879	5	2	,	,	PUNCT
admet-1879	5	3	drugs	drug	NOUN
admet-1879	5	4	may	may	AUX
admet-1879	5	5	be	be	AUX
admet-1879	5	6	sparsely	sparsely	ADV
admet-1879	5	7	distributed	distribute	VERB
admet-1879	5	8	in	in	ADP
admet-1879	5	9	chemical	chemical	ADJ
admet-1879	5	10	space	space	NOUN
admet-1879	5	11	,	,	PUNCT
admet-1879	5	12	concentrated	concentrate	VERB
admet-1879	5	13	in	in	ADP
admet-1879	5	14	clusters	cluster	NOUN
admet-1879	5	15	.	.	PUNCT
admet-1879	6	1	even	even	ADV
admet-1879	6	2	a	a	DET
admet-1879	6	3	large	large	ADJ
admet-1879	6	4	database	database	NOUN
admet-1879	6	5	might	might	AUX
admet-1879	6	6	overlook	overlook	VERB
admet-1879	6	7	some	some	DET
admet-1879	6	8	regions	region	NOUN
admet-1879	6	9	.	.	PUNCT
admet-1879	7	1	test	test	NOUN
admet-1879	7	2	compounds	compound	VERB
admet-1879	7	3	from	from	ADP
admet-1879	7	4	under	under	ADV
admet-1879	7	5	-	-	PUNCT
admet-1879	7	6	represented	represent	VERB
admet-1879	7	7	portions	portion	NOUN
admet-1879	7	8	of	of	ADP
admet-1879	7	9	space	space	NOUN
admet-1879	7	10	may	may	AUX
admet-1879	7	11	be	be	AUX
admet-1879	7	12	poorly	poorly	ADV
admet-1879	7	13	predicted	predict	VERB
admet-1879	7	14	,	,	PUNCT
admet-1879	7	15	as	as	SCONJ
admet-1879	7	16	might	might	AUX
admet-1879	7	17	be	be	AUX
admet-1879	7	18	the	the	DET
admet-1879	7	19	case	case	NOUN
admet-1879	7	20	with	with	ADP
admet-1879	7	21	the	the	DET
admet-1879	7	22	‘	'	PUNCT
admet-1879	7	23	loose	loose	ADJ
admet-1879	7	24	’	'	PUNCT
admet-1879	7	25	set	set	NOUN
admet-1879	7	26	of	of	ADP
admet-1879	7	27	32	32	NUM
admet-1879	7	28	drugs	drug	NOUN
admet-1879	7	29	in	in	ADP
admet-1879	7	30	the	the	DET
admet-1879	7	31	second	second	ADJ
admet-1879	7	32	solubility	solubility	NOUN
admet-1879	7	33	challenge	challenge	NOUN
admet-1879	7	34	(	(	PUNCT
admet-1879	7	35	2020	2020	NUM
admet-1879	7	36	)	)	PUNCT
admet-1879	7	37	.	.	PUNCT
admet-1879	8	1	there	there	PRON
admet-1879	8	2	appears	appear	VERB
admet-1879	8	3	to	to	PART
admet-1879	8	4	be	be	AUX
admet-1879	8	5	still	still	ADV
admet-1879	8	6	a	a	DET
admet-1879	8	7	need	need	NOUN
admet-1879	8	8	for	for	ADP
admet-1879	8	9	better	well	ADJ
admet-1879	8	10	coverage	coverage	NOUN
admet-1879	8	11	of	of	ADP
admet-1879	8	12	drug	drug	NOUN
admet-1879	8	13	space	space	NOUN
admet-1879	8	14	.	.	PUNCT
admet-1879	9	1	increasingly	increasingly	ADV
admet-1879	9	2	,	,	PUNCT
admet-1879	9	3	current	current	ADJ
admet-1879	9	4	trends	trend	NOUN
admet-1879	9	5	in	in	ADP
admet-1879	9	6	predictions	prediction	NOUN
admet-1879	9	7	of	of	ADP
admet-1879	9	8	solubility	solubility	NOUN
admet-1879	9	9	use	use	NOUN
admet-1879	9	10	calculated	calculate	VERB
admet-1879	9	11	input	input	NOUN
admet-1879	9	12	descriptors	descriptor	NOUN
admet-1879	9	13	,	,	PUNCT
admet-1879	9	14	which	which	PRON
admet-1879	9	15	may	may	AUX
admet-1879	9	16	be	be	AUX
admet-1879	9	17	an	an	DET
admet-1879	9	18	advantage	advantage	NOUN
admet-1879	9	19	for	for	ADP
admet-1879	9	20	exploring	explore	VERB
admet-1879	9	21	properties	property	NOUN
admet-1879	9	22	of	of	ADP
admet-1879	9	23	molecules	molecule	NOUN
admet-1879	9	24	yet	yet	ADV
admet-1879	9	25	to	to	PART
admet-1879	9	26	be	be	AUX
admet-1879	9	27	synthesized	synthesize	VERB
admet-1879	9	28	.	.	PUNCT
admet-1879	10	1	the	the	DET
admet-1879	10	2	risk	risk	NOUN
admet-1879	10	3	may	may	AUX
admet-1879	10	4	be	be	AUX
admet-1879	10	5	that	that	PRON
admet-1879	10	6	overall	overall	ADJ
admet-1879	10	7	prediction	prediction	NOUN
admet-1879	10	8	approaches	approach	NOUN
admet-1879	10	9	might	might	AUX
admet-1879	10	10	be	be	AUX
admet-1879	10	11	based	base	VERB
admet-1879	10	12	on	on	ADP
admet-1879	10	13	accumulated	accumulate	VERB
admet-1879	10	14	uncertainty	uncertainty	NOUN
admet-1879	10	15	.	.	PUNCT
admet-1879	11	1	the	the	DET
admet-1879	11	2	increasing	increase	VERB
admet-1879	11	3	use	use	NOUN
admet-1879	11	4	of	of	ADP
admet-1879	11	5	ml	ml	NOUN
admet-1879	11	6	/	/	SYM
admet-1879	11	7	ai	ai	PROPN
admet-1879	11	8	methods	method	NOUN
admet-1879	11	9	can	can	AUX
admet-1879	11	10	lead	lead	VERB
admet-1879	11	11	to	to	ADP
admet-1879	11	12	accurate	accurate	ADJ
admet-1879	11	13	predictions	prediction	NOUN
admet-1879	11	14	,	,	PUNCT
admet-1879	11	15	but	but	CCONJ
admet-1879	11	16	such	such	ADJ
admet-1879	11	17	predictions	prediction	NOUN
admet-1879	11	18	may	may	AUX
admet-1879	11	19	not	not	PART
admet-1879	11	20	readily	readily	ADV
admet-1879	11	21	suggest	suggest	VERB
admet-1879	11	22	the	the	DET
admet-1879	11	23	strategies	strategy	NOUN
admet-1879	11	24	to	to	PART
admet-1879	11	25	pursue	pursue	VERB
admet-1879	11	26	in	in	ADP
admet-1879	11	27	selecting	select	VERB
admet-1879	11	28	yet	yet	ADV
admet-1879	11	29	-	-	PUNCT
admet-1879	11	30	to	to	PART
admet-1879	11	31	-	-	PUNCT
admet-1879	11	32	be	be	AUX
admet-1879	11	33	-	-	PUNCT
admet-1879	11	34	synthesized	synthesize	VERB
admet-1879	11	35	compounds	compound	NOUN
admet-1879	11	36	.	.	PUNCT
admet-1879	12	1	based	base	VERB
admet-1879	12	2	on	on	ADP
admet-1879	12	3	our	our	PRON
admet-1879	12	4	latest	late	ADJ
admet-1879	12	5	findings	finding	NOUN
admet-1879	12	6	,	,	PUNCT
admet-1879	12	7	we	we	PRON
admet-1879	12	8	recommend	recommend	VERB
admet-1879	12	9	predictions	prediction	NOUN
admet-1879	12	10	based	base	VERB
admet-1879	12	11	on	on	ADP
admet-1879	12	12	both	both	DET
admet-1879	12	13	‘	'	PUNCT
admet-1879	12	14	grouped	group	VERB
admet-1879	12	15	’	'	PUNCT
admet-1879	12	16	absolv(grp	absolv(grp	PROPN
admet-1879	12	17	)	)	PUNCT
admet-1879	12	18	and	and	CCONJ
admet-1879	12	19	‘	'	PUNCT
admet-1879	12	20	flexible	flexible	ADJ
admet-1879	12	21	acceptor	acceptor	NOUN
admet-1879	12	22	’	'	PUNCT
admet-1879	12	23	gse(φ	gse(φ	PROPN
admet-1879	12	24	,	,	PUNCT
admet-1879	12	25	b	b	NOUN
admet-1879	12	26	)	)	PUNCT
admet-1879	12	27	models	model	NOUN
admet-1879	12	28	with	with	ADP
admet-1879	12	29	the	the	DET
admet-1879	12	30	provided	provide	VERB
admet-1879	12	31	best	good	ADJ
admet-1879	12	32	-	-	PUNCT
admet-1879	12	33	fit	fit	ADJ
admet-1879	12	34	parameters	parameter	NOUN
admet-1879	12	35	,	,	PUNCT
admet-1879	12	36	where	where	SCONJ
admet-1879	12	37	φ	φ	PROPN
admet-1879	12	38	is	be	AUX
admet-1879	12	39	the	the	DET
admet-1879	12	40	kier	kier	PROPN
admet-1879	12	41	molecular	molecular	ADJ
admet-1879	12	42	flexibility	flexibility	NOUN
admet-1879	12	43	index	index	NOUN
admet-1879	12	44	and	and	CCONJ
admet-1879	12	45	b	b	NOUN
admet-1879	12	46	is	be	AUX
admet-1879	12	47	the	the	DET
admet-1879	12	48	abraham	abraham	PROPN
admet-1879	12	49	h	h	NOUN
admet-1879	12	50	-	-	PUNCT
admet-1879	12	51	bond	bond	NOUN
admet-1879	12	52	acceptor	acceptor	NOUN
admet-1879	12	53	strength	strength	NOUN
admet-1879	12	54	.	.	PUNCT
admet-1879	13	1	for	for	ADP
admet-1879	13	2	molecules	molecule	NOUN
admet-1879	13	3	with	with	ADP
admet-1879	13	4	φ	φ	PROPN
admet-1879	13	5	<	<	X
admet-1879	13	6	11	11	NUM
admet-1879	13	7	,	,	PUNCT
admet-1879	13	8	the	the	DET
admet-1879	13	9	prudent	prudent	ADJ
admet-1879	13	10	choice	choice	NOUN
admet-1879	13	11	is	be	AUX
admet-1879	13	12	to	to	PART
admet-1879	13	13	pick	pick	VERB
admet-1879	13	14	the	the	DET
admet-1879	13	15	consensus	consensus	NOUN
admet-1879	13	16	model	model	NOUN
admet-1879	13	17	,	,	PUNCT
admet-1879	13	18	the	the	DET
admet-1879	13	19	average	average	NOUN
admet-1879	13	20	of	of	ADP
admet-1879	13	21	absolv(grp	absolv(grp	PROPN
admet-1879	13	22	)	)	PUNCT
admet-1879	13	23	and	and	CCONJ
admet-1879	13	24	gse(φ	gse(φ	PROPN
admet-1879	13	25	,	,	PUNCT
admet-1879	13	26	b	b	NOUN
admet-1879	13	27	)	)	PUNCT
admet-1879	13	28	.	.	PUNCT
admet-1879	14	1	for	for	ADP
admet-1879	14	2	more	more	ADV
admet-1879	14	3	flexible	flexible	ADJ
admet-1879	14	4	molecules	molecule	NOUN
admet-1879	14	5	,	,	PUNCT
admet-1879	14	6	gse(φ	gse(φ	PROPN
admet-1879	14	7	,	,	PUNCT
admet-1879	14	8	b	b	NOUN
admet-1879	14	9	)	)	PUNCT
admet-1879	14	10	is	be	AUX
admet-1879	14	11	recommended	recommend	VERB
admet-1879	14	12	.	.	PUNCT
admet-1879	15	1	©	©	ADP
admet-1879	15	2	2023	2023	NUM
admet-1879	15	3	by	by	ADP
admet-1879	15	4	the	the	DET
admet-1879	15	5	authors	author	NOUN
admet-1879	15	6	.	.	PUNCT
admet-1879	16	1	this	this	DET
admet-1879	16	2	article	article	NOUN
admet-1879	16	3	is	be	AUX
admet-1879	16	4	an	an	DET
admet-1879	16	5	open	open	ADJ
admet-1879	16	6	-	-	PUNCT
admet-1879	16	7	access	access	NOUN
admet-1879	16	8	article	article	NOUN
admet-1879	16	9	distributed	distribute	VERB
admet-1879	16	10	under	under	ADP
admet-1879	16	11	the	the	DET
admet-1879	16	12	terms	term	NOUN
admet-1879	16	13	and	and	CCONJ
admet-1879	16	14	conditions	condition	NOUN
admet-1879	16	15	of	of	ADP
admet-1879	16	16	the	the	DET
admet-1879	16	17	creative	creative	ADJ
admet-1879	16	18	commons	common	NOUN
admet-1879	16	19	attribution	attribution	NOUN
admet-1879	16	20	license	license	NOUN
admet-1879	16	21	(	(	PUNCT
admet-1879	16	22	http://creativecommons.org/licenses/by/4.0/	http://creativecommons.org/licenses/by/4.0/	PROPN
admet-1879	16	23	)	)	PUNCT
admet-1879	16	24	.	.	PUNCT
admet-1879	17	1	keywords	keyword	VERB
admet-1879	17	2	general	general	ADJ
admet-1879	17	3	solubility	solubility	NOUN
admet-1879	17	4	equation	equation	NOUN
admet-1879	17	5	(	(	PUNCT
admet-1879	17	6	gse	gse	PROPN
admet-1879	17	7	)	)	PUNCT
admet-1879	17	8	;	;	PUNCT
admet-1879	17	9	abraham	abraham	PROPN
admet-1879	17	10	solvation	solvation	NOUN
admet-1879	17	11	equation	equation	NOUN
admet-1879	17	12	(	(	PUNCT
admet-1879	17	13	absolv	absolv	PROPN
admet-1879	17	14	)	)	PUNCT
admet-1879	17	15	;	;	PUNCT
admet-1879	17	16	flexible	flexible	ADJ
admet-1879	17	17	-	-	PUNCT
admet-1879	17	18	acceptor	acceptor	NOUN
admet-1879	17	19	gse(φ	gse(φ	PROPN
admet-1879	17	20	,	,	PUNCT
admet-1879	17	21	b	b	NOUN
admet-1879	17	22	)	)	PUNCT
admet-1879	17	23	;	;	PUNCT
admet-1879	17	24	consensus	consensus	NOUN
admet-1879	17	25	model	model	NOUN
admet-1879	17	26	;	;	PUNCT
admet-1879	17	27	decision	decision	NOUN
admet-1879	17	28	-	-	PUNCT
admet-1879	17	29	tree	tree	NOUN
admet-1879	17	30	exclusive	exclusive	NOUN
admet-1879	17	31	or	or	CCONJ
admet-1879	17	32	(	(	PUNCT
admet-1879	17	33	xor	xor	PROPN
admet-1879	17	34	)	)	PUNCT
admet-1879	17	35	model	model	NOUN
admet-1879	17	36	;	;	PUNCT
admet-1879	17	37	kier	kier	PROPN
admet-1879	17	38	molecular	molecular	ADJ
admet-1879	17	39	flexibility	flexibility	NOUN
admet-1879	17	40	index	index	NOUN
admet-1879	17	41	(	(	PUNCT
admet-1879	17	42	φ	φ	PROPN
admet-1879	17	43	)	)	PUNCT
admet-1879	17	44	;	;	PUNCT
admet-1879	17	45	drug	drug	NOUN
admet-1879	17	46	-	-	PUNCT
admet-1879	17	47	like	like	ADJ
admet-1879	17	48	molecules	molecule	NOUN
admet-1879	17	49	;	;	PUNCT
admet-1879	17	50	machine	machine	NOUN
admet-1879	17	51	learning	learning	NOUN
admet-1879	17	52	(	(	PUNCT
admet-1879	17	53	ml	ml	NOUN
admet-1879	17	54	)	)	PUNCT
admet-1879	17	55	;	;	PUNCT
admet-1879	17	56	intrinsic	intrinsic	ADJ
admet-1879	17	57	solubility	solubility	NOUN
admet-1879	17	58	introduction	introduction	NOUN
admet-1879	17	59	the	the	DET
admet-1879	17	60	pursuit	pursuit	NOUN
admet-1879	17	61	of	of	ADP
admet-1879	17	62	accurate	accurate	ADJ
admet-1879	17	63	prediction	prediction	NOUN
admet-1879	17	64	of	of	ADP
admet-1879	17	65	solubility	solubility	NOUN
admet-1879	17	66	of	of	ADP
admet-1879	17	67	drugs	drug	NOUN
admet-1879	17	68	from	from	ADP
admet-1879	17	69	molecular	molecular	ADJ
admet-1879	17	70	structure	structure	NOUN
admet-1879	17	71	is	be	AUX
admet-1879	17	72	still	still	ADV
admet-1879	17	73	evolving	evolve	VERB
admet-1879	17	74	and	and	CCONJ
admet-1879	17	75	continues	continue	VERB
admet-1879	17	76	to	to	PART
admet-1879	17	77	be	be	AUX
admet-1879	17	78	challenging	challenge	VERB
admet-1879	17	79	[	[	PUNCT
admet-1879	17	80	1	1	NUM
admet-1879	17	81	-	-	SYM
admet-1879	17	82	7	7	NUM
admet-1879	17	83	]	]	PUNCT
admet-1879	17	84	.	.	PUNCT
admet-1879	18	1	it	it	PRON
admet-1879	18	2	had	have	AUX
admet-1879	18	3	been	be	AUX
admet-1879	18	4	proposed	propose	VERB
admet-1879	18	5	that	that	SCONJ
admet-1879	18	6	shortfalls	shortfall	NOUN
admet-1879	18	7	have	have	AUX
admet-1879	18	8	been	be	AUX
admet-1879	18	9	due	due	ADJ
admet-1879	18	10	to	to	ADP
admet-1879	18	11	the	the	DET
admet-1879	18	12	lack	lack	NOUN
admet-1879	18	13	of	of	ADP
admet-1879	18	14	high	high	ADJ
admet-1879	18	15	-	-	PUNCT
admet-1879	18	16	quality	quality	NOUN
admet-1879	18	17	solubility	solubility	NOUN
admet-1879	18	18	data	datum	NOUN
admet-1879	18	19	from	from	ADP
admet-1879	18	20	the	the	DET
admet-1879	18	21	chemical	chemical	NOUN
admet-1879	18	22	space	space	NOUN
admet-1879	18	23	of	of	ADP
admet-1879	18	24	drugs	drug	NOUN
admet-1879	18	25	.	.	PUNCT
admet-1879	19	1	but	but	CCONJ
admet-1879	19	2	there	there	PRON
admet-1879	19	3	has	have	AUX
admet-1879	19	4	been	be	AUX
admet-1879	19	5	some	some	DET
admet-1879	19	6	pushback	pushback	NOUN
admet-1879	19	7	to	to	ADP
admet-1879	19	8	that	that	DET
admet-1879	19	9	view	view	NOUN
admet-1879	19	10	[	[	X
admet-1879	19	11	6	6	NUM
admet-1879	19	12	]	]	PUNCT
admet-1879	19	13	.	.	PUNCT
admet-1879	20	1	since	since	SCONJ
admet-1879	20	2	2011	2011	NUM
admet-1879	20	3	,	,	PUNCT
admet-1879	20	4	we	we	PRON
admet-1879	20	5	have	have	AUX
admet-1879	20	6	been	be	AUX
admet-1879	20	7	actively	actively	ADV
admet-1879	20	8	collating	collate	VERB
admet-1879	20	9	and	and	CCONJ
admet-1879	20	10	harmonizing	harmonize	VERB
admet-1879	20	11	published	publish	VERB
admet-1879	20	12	values	value	NOUN
admet-1879	20	13	of	of	ADP
admet-1879	20	14	ph	ph	ADJ
admet-1879	20	15	-	-	ADJ
admet-1879	20	16	dependent	dependent	ADJ
admet-1879	20	17	aqueous	aqueous	ADJ
admet-1879	20	18	solubility	solubility	NOUN
admet-1879	20	19	of	of	ADP
admet-1879	20	20	https://doi.org/10.5599/admet.1879	https://doi.org/10.5599/admet.1879	PROPN
admet-1879	20	21	https://doi.org/10.5599/admet.1879	https://doi.org/10.5599/admet.1879	PROPN
admet-1879	20	22	http://www.pub.iapchem.org/ojs/index.php/admet/index	http://www.pub.iapchem.org/ojs/index.php/admet/index	PROPN
admet-1879	20	23	mailto:alex@in-adme.com	mailto:alex@in-adme.com	PROPN
admet-1879	20	24	http://creativecommons.org/licenses/by/4.0/	http://creativecommons.org/licenses/by/4.0/	PROPN
admet-1879	20	25	a.	a.	PROPN
admet-1879	20	26	avdeef	avdeef	PROPN
admet-1879	20	27	admet	admet	PROPN
admet-1879	20	28	&	&	CCONJ
admet-1879	20	29	dmpk	dmpk	PROPN
admet-1879	20	30	11(3	11(3	NUM
admet-1879	20	31	)	)	PUNCT
admet-1879	20	32	(	(	PUNCT
admet-1879	20	33	2023	2023	NUM
admet-1879	20	34	)	)	PUNCT
admet-1879	20	35	317	317	NUM
admet-1879	20	36	-	-	SYM
admet-1879	20	37	330	330	NUM
admet-1879	20	38	318	318	NUM
admet-1879	20	39	drug	drug	NOUN
admet-1879	20	40	-	-	PUNCT
admet-1879	20	41	like	like	ADJ
admet-1879	20	42	and	and	CCONJ
admet-1879	20	43	drug	drug	NOUN
admet-1879	20	44	-	-	PUNCT
admet-1879	20	45	relevant	relevant	ADJ
admet-1879	20	46	molecules	molecule	NOUN
admet-1879	20	47	of	of	ADP
admet-1879	20	48	importance	importance	NOUN
admet-1879	20	49	in	in	ADP
admet-1879	20	50	the	the	DET
admet-1879	20	51	discovery	discovery	NOUN
admet-1879	20	52	-	-	PUNCT
admet-1879	20	53	to	to	ADP
admet-1879	20	54	-	-	PUNCT
admet-1879	20	55	development	development	NOUN
admet-1879	20	56	stages	stage	NOUN
admet-1879	20	57	of	of	ADP
admet-1879	20	58	pharmaceutical	pharmaceutical	ADJ
admet-1879	20	59	research	research	NOUN
admet-1879	20	60	,	,	PUNCT
admet-1879	20	61	aggregated	aggregate	VERB
admet-1879	20	62	in	in	ADP
admet-1879	20	63	the	the	DET
admet-1879	20	64	wiki	wiki	NOUN
admet-1879	20	65	-	-	PUNCT
admet-1879	20	66	ps0	ps0	ADJ
admet-1879	20	67	tm	tm	PRON
admet-1879	20	68	database	database	NOUN
admet-1879	20	69	(	(	PUNCT
admet-1879	20	70	in	in	ADP
admet-1879	20	71	-	-	PUNCT
admet-1879	20	72	adme	adme	NOUN
admet-1879	20	73	research	research	NOUN
admet-1879	20	74	)	)	PUNCT
admet-1879	20	75	.	.	PUNCT
admet-1879	21	1	a	a	DET
admet-1879	21	2	book	book	NOUN
admet-1879	21	3	tentatively	tentatively	ADV
admet-1879	21	4	entitled	entitle	VERB
admet-1879	21	5	“	"	PUNCT
admet-1879	21	6	predicting	predict	VERB
admet-1879	21	7	solubility	solubility	NOUN
admet-1879	21	8	of	of	ADP
admet-1879	21	9	new	new	ADJ
admet-1879	21	10	drugs	drug	NOUN
admet-1879	21	11	handbook	handbook	NOUN
admet-1879	21	12	of	of	ADP
admet-1879	21	13	critically	critically	ADV
admet-1879	21	14	curated	curate	VERB
admet-1879	21	15	data	datum	NOUN
admet-1879	21	16	for	for	ADP
admet-1879	21	17	pharmaceutical	pharmaceutical	ADJ
admet-1879	21	18	research	research	NOUN
admet-1879	21	19	”	"	PUNCT
admet-1879	21	20	is	be	AUX
admet-1879	21	21	under	under	ADP
admet-1879	21	22	review	review	NOUN
admet-1879	21	23	by	by	ADP
admet-1879	21	24	a	a	DET
admet-1879	21	25	publisher	publisher	NOUN
admet-1879	21	26	[	[	X
admet-1879	21	27	7	7	NUM
admet-1879	21	28	]	]	PUNCT
admet-1879	21	29	.	.	PUNCT
admet-1879	22	1	it	it	PRON
admet-1879	22	2	tabulates	tabulate	VERB
admet-1879	22	3	solubility	solubility	NOUN
admet-1879	22	4	data	data	VERB
admet-1879	22	5	up	up	ADP
admet-1879	22	6	to	to	ADP
admet-1879	22	7	2022	2022	NUM
admet-1879	22	8	.	.	PUNCT
admet-1879	23	1	the	the	DET
admet-1879	23	2	collection	collection	NOUN
admet-1879	23	3	comprises	comprise	VERB
admet-1879	23	4	3695	3695	NUM
admet-1879	23	5	different	different	ADJ
admet-1879	23	6	substances	substance	NOUN
admet-1879	23	7	,	,	PUNCT
admet-1879	23	8	with	with	ADP
admet-1879	23	9	7619	7619	NUM
admet-1879	23	10	entries	entry	NOUN
admet-1879	23	11	of	of	ADP
admet-1879	23	12	intrinsic	intrinsic	ADJ
admet-1879	23	13	solubility	solubility	NOUN
admet-1879	23	14	(	(	PUNCT
admet-1879	23	15	uncharged	uncharged	ADJ
admet-1879	23	16	form	form	NOUN
admet-1879	23	17	)	)	PUNCT
admet-1879	23	18	.	.	PUNCT
admet-1879	24	1	considerable	considerable	ADJ
admet-1879	24	2	effort	effort	NOUN
admet-1879	24	3	has	have	AUX
admet-1879	24	4	been	be	AUX
admet-1879	24	5	put	put	VERB
admet-1879	24	6	into	into	ADP
admet-1879	24	7	deciding	decide	VERB
admet-1879	24	8	that	that	SCONJ
admet-1879	24	9	the	the	DET
admet-1879	24	10	data	datum	NOUN
admet-1879	24	11	are	be	AUX
admet-1879	24	12	of	of	ADP
admet-1879	24	13	high	high	ADJ
admet-1879	24	14	quality	quality	NOUN
admet-1879	24	15	,	,	PUNCT
admet-1879	24	16	based	base	VERB
admet-1879	24	17	on	on	ADP
admet-1879	24	18	carefully	carefully	ADV
admet-1879	24	19	selected	select	VERB
admet-1879	24	20	published	publish	VERB
admet-1879	24	21	sources	source	NOUN
admet-1879	24	22	,	,	PUNCT
admet-1879	24	23	guided	guide	VERB
admet-1879	24	24	in	in	ADP
admet-1879	24	25	part	part	NOUN
admet-1879	24	26	by	by	ADP
admet-1879	24	27	the	the	DET
admet-1879	24	28	best	good	ADJ
admet-1879	24	29	-	-	PUNCT
admet-1879	24	30	practices	practice	NOUN
admet-1879	24	31	‘	'	PUNCT
admet-1879	24	32	white	white	ADJ
admet-1879	24	33	papers	paper	NOUN
admet-1879	24	34	’	'	PUNCT
admet-1879	24	35	recently	recently	ADV
admet-1879	24	36	published	publish	VERB
admet-1879	24	37	[	[	PUNCT
admet-1879	24	38	8	8	NUM
admet-1879	24	39	-	-	SYM
admet-1879	24	40	12	12	NUM
admet-1879	24	41	]	]	PUNCT
admet-1879	24	42	.	.	PUNCT
admet-1879	25	1	just	just	ADV
admet-1879	25	2	about	about	ADV
admet-1879	25	3	all	all	DET
admet-1879	25	4	entries	entry	NOUN
admet-1879	25	5	in	in	ADP
admet-1879	25	6	the	the	DET
admet-1879	25	7	database	database	NOUN
admet-1879	25	8	are	be	AUX
admet-1879	25	9	referenced	reference	VERB
admet-1879	25	10	to	to	ADP
admet-1879	25	11	primary	primary	ADJ
admet-1879	25	12	sources	source	NOUN
admet-1879	25	13	.	.	PUNCT
admet-1879	26	1	the	the	DET
admet-1879	26	2	reproducibility	reproducibility	NOUN
admet-1879	26	3	of	of	ADP
admet-1879	26	4	statistical	statistical	ADJ
admet-1879	26	5	methods	method	NOUN
admet-1879	26	6	to	to	PART
admet-1879	26	7	predict	predict	VERB
admet-1879	26	8	solubility	solubility	NOUN
admet-1879	26	9	at	at	ADP
admet-1879	26	10	best	good	ADJ
admet-1879	26	11	has	have	AUX
admet-1879	26	12	hovered	hover	VERB
admet-1879	26	13	around	around	ADP
admet-1879	26	14	the	the	DET
admet-1879	26	15	root	root	NOUN
admet-1879	26	16	mean	mean	NOUN
admet-1879	26	17	square	square	ADJ
admet-1879	26	18	error	error	NOUN
admet-1879	26	19	(	(	PUNCT
admet-1879	26	20	rmse	rmse	NOUN
admet-1879	26	21	)	)	PUNCT
admet-1879	26	22	of	of	ADP
admet-1879	26	23	0.6	0.6	NUM
admet-1879	26	24	log	log	NOUN
admet-1879	26	25	unit	unit	NOUN
admet-1879	26	26	but	but	CCONJ
admet-1879	26	27	is	be	AUX
admet-1879	26	28	typically	typically	ADV
admet-1879	26	29	rmse	rmse	ADJ
admet-1879	26	30	>	>	X
admet-1879	26	31	1	1	NUM
admet-1879	26	32	in	in	ADP
admet-1879	26	33	many	many	ADJ
admet-1879	26	34	studies	study	NOUN
admet-1879	26	35	[	[	X
admet-1879	26	36	1	1	NUM
admet-1879	26	37	-	-	SYM
admet-1879	26	38	5	5	NUM
admet-1879	26	39	]	]	PUNCT
admet-1879	26	40	.	.	PUNCT
admet-1879	27	1	on	on	ADP
admet-1879	27	2	the	the	DET
admet-1879	27	3	other	other	ADJ
admet-1879	27	4	hand	hand	NOUN
admet-1879	27	5	,	,	PUNCT
admet-1879	27	6	it	it	PRON
admet-1879	27	7	has	have	AUX
admet-1879	27	8	been	be	AUX
admet-1879	27	9	firmly	firmly	ADV
admet-1879	27	10	estimated	estimate	VERB
admet-1879	27	11	that	that	SCONJ
admet-1879	27	12	the	the	DET
admet-1879	27	13	average	average	ADJ
admet-1879	27	14	interlaboratory	interlaboratory	NOUN
admet-1879	27	15	reproducibility	reproducibility	NOUN
admet-1879	27	16	can	can	AUX
admet-1879	27	17	be	be	AUX
admet-1879	27	18	as	as	ADV
admet-1879	27	19	low	low	ADJ
admet-1879	27	20	as	as	ADP
admet-1879	27	21	0.18	0.18	NUM
admet-1879	27	22	log	log	NOUN
admet-1879	27	23	unit	unit	NOUN
admet-1879	27	24	in	in	ADP
admet-1879	27	25	carefully	carefully	ADV
admet-1879	27	26	curated	curate	VERB
admet-1879	27	27	databases	database	NOUN
admet-1879	27	28	,	,	PUNCT
admet-1879	27	29	which	which	PRON
admet-1879	27	30	includes	include	VERB
admet-1879	27	31	correcting	correct	VERB
admet-1879	27	32	reported	report	VERB
admet-1879	27	33	solubility	solubility	NOUN
admet-1879	27	34	for	for	ADP
admet-1879	27	35	ionization	ionization	NOUN
admet-1879	27	36	(	(	PUNCT
admet-1879	27	37	i.e.	i.e.	X
admet-1879	27	38	deriving	derive	VERB
admet-1879	27	39	intrinsic	intrinsic	ADJ
admet-1879	27	40	solubility	solubility	NOUN
admet-1879	27	41	,	,	PUNCT
admet-1879	27	42	s0	s0	PROPN
admet-1879	27	43	)	)	PUNCT
admet-1879	27	44	and	and	CCONJ
admet-1879	27	45	by	by	ADP
admet-1879	27	46	normalizing	normalize	VERB
admet-1879	27	47	for	for	ADP
admet-1879	27	48	temperature	temperature	NOUN
admet-1879	27	49	(	(	PUNCT
admet-1879	27	50	by	by	ADP
admet-1879	27	51	transforming	transform	VERB
admet-1879	27	52	measurements	measurement	NOUN
admet-1879	27	53	performed	perform	VERB
admet-1879	27	54	in	in	ADP
admet-1879	27	55	the	the	DET
admet-1879	27	56	range	range	NOUN
admet-1879	27	57	10	10	NUM
admet-1879	27	58	-	-	SYM
admet-1879	27	59	50	50	NUM
admet-1879	27	60	to	to	PART
admet-1879	27	61	25	25	NUM
admet-1879	27	62	°	°	NOUN
admet-1879	27	63	c	c	NOUN
admet-1879	27	64	)	)	PUNCT
admet-1879	28	1	[	[	X
admet-1879	28	2	7,13	7,13	NUM
admet-1879	28	3	-	-	SYM
admet-1879	28	4	20	20	NUM
admet-1879	28	5	]	]	PUNCT
admet-1879	28	6	.	.	PUNCT
admet-1879	29	1	consistent	consistent	ADJ
admet-1879	29	2	solubility	solubility	NOUN
admet-1879	29	3	unit	unit	NOUN
admet-1879	29	4	conversions	conversion	NOUN
admet-1879	29	5	,	,	PUNCT
admet-1879	29	6	methods	method	NOUN
admet-1879	29	7	of	of	ADP
admet-1879	29	8	phase	phase	NOUN
admet-1879	29	9	separation	separation	NOUN
admet-1879	29	10	,	,	PUNCT
admet-1879	29	11	and	and	CCONJ
admet-1879	29	12	procedures	procedure	NOUN
admet-1879	29	13	for	for	ADP
admet-1879	29	14	measuring	measure	VERB
admet-1879	29	15	ph	ph	NOUN
admet-1879	29	16	also	also	ADV
admet-1879	29	17	play	play	VERB
admet-1879	29	18	critical	critical	ADJ
admet-1879	29	19	underpinnings	underpinning	NOUN
admet-1879	29	20	in	in	ADP
admet-1879	29	21	data	datum	NOUN
admet-1879	29	22	quality	quality	NOUN
admet-1879	29	23	[	[	X
admet-1879	29	24	8	8	NUM
admet-1879	29	25	-	-	SYM
admet-1879	29	26	12	12	NUM
admet-1879	29	27	]	]	PUNCT
admet-1879	29	28	.	.	PUNCT
admet-1879	30	1	this	this	DET
admet-1879	30	2	review	review	NOUN
admet-1879	30	3	discusses	discuss	VERB
admet-1879	30	4	a	a	DET
admet-1879	30	5	recent	recent	ADJ
admet-1879	30	6	series	series	NOUN
admet-1879	30	7	of	of	ADP
admet-1879	30	8	five	five	NUM
admet-1879	30	9	interrelated	interrelated	ADJ
admet-1879	30	10	publications	publication	NOUN
admet-1879	30	11	[	[	X
admet-1879	30	12	16	16	NUM
admet-1879	30	13	-	-	SYM
admet-1879	30	14	20	20	NUM
admet-1879	30	15	]	]	PUNCT
admet-1879	30	16	,	,	PUNCT
admet-1879	30	17	where	where	SCONJ
admet-1879	30	18	the	the	DET
admet-1879	30	19	use	use	NOUN
admet-1879	30	20	of	of	ADP
admet-1879	30	21	several	several	ADJ
admet-1879	30	22	computational	computational	ADJ
admet-1879	30	23	methods	method	NOUN
admet-1879	30	24	to	to	PART
admet-1879	30	25	predict	predict	VERB
admet-1879	30	26	intrinsic	intrinsic	ADJ
admet-1879	30	27	solubility	solubility	NOUN
admet-1879	30	28	were	be	AUX
admet-1879	30	29	explored	explore	VERB
admet-1879	30	30	:	:	PUNCT
admet-1879	30	31	(	(	PUNCT
admet-1879	30	32	a	a	X
admet-1879	30	33	)	)	PUNCT
admet-1879	30	34	yalkowsky	yalkowsky	ADJ
admet-1879	30	35	general	general	ADJ
admet-1879	30	36	solubility	solubility	NOUN
admet-1879	30	37	equation	equation	NOUN
admet-1879	30	38	(	(	PUNCT
admet-1879	30	39	gse	gse	PROPN
admet-1879	30	40	)	)	PUNCT
admet-1879	31	1	[	[	X
admet-1879	31	2	21	21	NUM
admet-1879	31	3	-	-	SYM
admet-1879	31	4	26	26	NUM
admet-1879	31	5	]	]	PUNCT
admet-1879	31	6	,	,	PUNCT
admet-1879	31	7	(	(	PUNCT
admet-1879	31	8	b	b	X
admet-1879	31	9	)	)	PUNCT
admet-1879	31	10	abraham	abraham	PROPN
admet-1879	31	11	solvation	solvation	NOUN
admet-1879	31	12	equation	equation	NOUN
admet-1879	31	13	(	(	PUNCT
admet-1879	31	14	absolv	absolv	NOUN
admet-1879	31	15	)	)	PUNCT
admet-1879	32	1	[	[	X
admet-1879	32	2	27	27	NUM
admet-1879	32	3	-	-	SYM
admet-1879	32	4	29	29	NUM
admet-1879	32	5	]	]	PUNCT
admet-1879	32	6	,	,	PUNCT
admet-1879	32	7	(	(	PUNCT
admet-1879	32	8	c	c	X
admet-1879	32	9	)	)	PUNCT
admet-1879	32	10	avdeef	avdeef	NOUN
admet-1879	32	11	-	-	PUNCT
admet-1879	32	12	kansy	kansy	NOUN
admet-1879	32	13	flexible	flexible	ADJ
admet-1879	32	14	-	-	PUNCT
admet-1879	32	15	acceptor	acceptor	NOUN
admet-1879	32	16	general	general	ADJ
admet-1879	32	17	solubility	solubility	NOUN
admet-1879	32	18	equation	equation	NOUN
admet-1879	32	19	(	(	PUNCT
admet-1879	32	20	a.k.a	a.k.a	INTJ
admet-1879	32	21	.	.	PROPN
admet-1879	32	22	,	,	PUNCT
admet-1879	32	23	gse(φ	gse(φ	PROPN
admet-1879	32	24	,	,	PUNCT
admet-1879	32	25	b	b	NOUN
admet-1879	32	26	)	)	PUNCT
admet-1879	32	27	)	)	PUNCT
admet-1879	33	1	[	[	X
admet-1879	33	2	18	18	NUM
admet-1879	33	3	]	]	PUNCT
admet-1879	33	4	,	,	PUNCT
admet-1879	33	5	(	(	PUNCT
admet-1879	33	6	d	d	X
admet-1879	33	7	)	)	PUNCT
admet-1879	33	8	consensus	consensus	NOUN
admet-1879	33	9	of	of	ADP
admet-1879	33	10	absolv	absolv	NOUN
admet-1879	33	11	and	and	CCONJ
admet-1879	33	12	gse(φ	gse(φ	PROPN
admet-1879	33	13	,	,	PUNCT
admet-1879	33	14	b	b	NOUN
admet-1879	33	15	)	)	PUNCT
admet-1879	34	1	[	[	X
admet-1879	34	2	19	19	NUM
admet-1879	34	3	]	]	PUNCT
admet-1879	34	4	,	,	PUNCT
admet-1879	34	5	and	and	CCONJ
admet-1879	34	6	(	(	PUNCT
admet-1879	34	7	e	e	NOUN
admet-1879	34	8	)	)	PUNCT
admet-1879	34	9	breiman	breiman	NOUN
admet-1879	34	10	random	random	ADJ
admet-1879	34	11	forest	forest	NOUN
admet-1879	34	12	regression	regression	NOUN
admet-1879	34	13	(	(	PUNCT
admet-1879	34	14	rfr	rfr	PROPN
admet-1879	34	15	)	)	PUNCT
admet-1879	34	16	statistical	statistical	ADJ
admet-1879	34	17	machine	machine	NOUN
admet-1879	34	18	learning	learning	NOUN
admet-1879	34	19	(	(	PUNCT
admet-1879	34	20	ml	ml	NOUN
admet-1879	34	21	)	)	PUNCT
admet-1879	34	22	method	method	NOUN
admet-1879	35	1	[	[	X
admet-1879	35	2	30	30	NUM
admet-1879	35	3	-	-	SYM
admet-1879	35	4	33	33	NUM
admet-1879	35	5	]	]	PUNCT
admet-1879	35	6	.	.	PUNCT
admet-1879	36	1	the	the	DET
admet-1879	36	2	above	above	ADJ
admet-1879	36	3	data	data	NOUN
admet-1879	36	4	-	-	PUNCT
admet-1879	36	5	driven	drive	VERB
admet-1879	36	6	methods	method	NOUN
admet-1879	36	7	were	be	AUX
admet-1879	36	8	trained	train	VERB
admet-1879	36	9	with	with	ADP
admet-1879	36	10	the	the	DET
admet-1879	36	11	wiki	wiki	NOUN
admet-1879	36	12	-	-	PUNCT
admet-1879	36	13	ps0	ps0	ADJ
admet-1879	36	14	database	database	NOUN
admet-1879	36	15	.	.	PUNCT
admet-1879	37	1	the	the	DET
admet-1879	37	2	traditional	traditional	ADJ
admet-1879	37	3	gse	gse	PROPN
admet-1879	37	4	is	be	AUX
admet-1879	37	5	often	often	ADV
admet-1879	37	6	considered	consider	VERB
admet-1879	37	7	pre	pre	ADJ
admet-1879	37	8	-	-	VERB
admet-1879	37	9	trained	trained	ADJ
admet-1879	37	10	.	.	PUNCT
admet-1879	38	1	it	it	PRON
admet-1879	38	2	is	be	AUX
admet-1879	38	3	popular	popular	ADJ
admet-1879	38	4	for	for	ADP
admet-1879	38	5	its	its	PRON
admet-1879	38	6	simplicity	simplicity	NOUN
admet-1879	38	7	and	and	CCONJ
admet-1879	38	8	ease	ease	NOUN
admet-1879	38	9	of	of	ADP
admet-1879	38	10	use	use	NOUN
admet-1879	38	11	.	.	PUNCT
admet-1879	39	1	new	new	ADJ
admet-1879	39	2	prediction	prediction	NOUN
admet-1879	39	3	methods	method	NOUN
admet-1879	39	4	are	be	AUX
admet-1879	39	5	often	often	ADV
admet-1879	39	6	benchmarked	benchmarke	VERB
admet-1879	39	7	against	against	ADP
admet-1879	39	8	the	the	DET
admet-1879	39	9	gse	gse	PROPN
admet-1879	39	10	.	.	PUNCT
admet-1879	40	1	this	this	DET
admet-1879	40	2	review	review	NOUN
admet-1879	40	3	concludes	conclude	VERB
admet-1879	40	4	with	with	ADP
admet-1879	40	5	the	the	DET
admet-1879	40	6	introduction	introduction	NOUN
admet-1879	40	7	of	of	ADP
admet-1879	40	8	a	a	DET
admet-1879	40	9	new	new	ADJ
admet-1879	40	10	variant	variant	NOUN
admet-1879	40	11	method	method	NOUN
admet-1879	40	12	induced	induce	VERB
admet-1879	40	13	from	from	ADP
admet-1879	40	14	the	the	DET
admet-1879	40	15	above	above	ADJ
admet-1879	40	16	five	five	NUM
admet-1879	40	17	studies	study	NOUN
admet-1879	40	18	,	,	PUNCT
admet-1879	40	19	called	call	VERB
admet-1879	40	20	the	the	DET
admet-1879	40	21	exclusive	exclusive	ADJ
admet-1879	40	22	or	or	CCONJ
admet-1879	40	23	(	(	PUNCT
admet-1879	40	24	‘	'	PUNCT
admet-1879	40	25	xor	xor	PROPN
admet-1879	40	26	’	'	PUNCT
admet-1879	40	27	)	)	PUNCT
admet-1879	40	28	decision	decision	NOUN
admet-1879	40	29	tree	tree	NOUN
admet-1879	40	30	model	model	NOUN
admet-1879	40	31	,	,	PUNCT
admet-1879	40	32	drawing	draw	VERB
admet-1879	40	33	on	on	ADP
admet-1879	40	34	absolv	absolv	NOUN
admet-1879	40	35	and/or	and/or	CCONJ
admet-1879	40	36	gse(φ	gse(φ	PROPN
admet-1879	40	37	,	,	PUNCT
admet-1879	40	38	b	b	NOUN
admet-1879	40	39	)	)	PUNCT
admet-1879	40	40	models	model	NOUN
admet-1879	40	41	,	,	PUNCT
admet-1879	40	42	depending	depend	VERB
admet-1879	40	43	on	on	ADP
admet-1879	40	44	the	the	DET
admet-1879	40	45	value	value	NOUN
admet-1879	40	46	of	of	ADP
admet-1879	40	47	φ	φ	PROPN
admet-1879	40	48	.	.	PUNCT
admet-1879	41	1	the	the	DET
admet-1879	41	2	method	method	NOUN
admet-1879	41	3	may	may	AUX
admet-1879	41	4	be	be	AUX
admet-1879	41	5	useful	useful	ADJ
admet-1879	41	6	when	when	SCONJ
admet-1879	41	7	a	a	DET
admet-1879	41	8	large	large	ADJ
admet-1879	41	9	diverse	diverse	ADJ
admet-1879	41	10	database	database	NOUN
admet-1879	41	11	of	of	ADP
admet-1879	41	12	intrinsic	intrinsic	ADJ
admet-1879	41	13	solubility	solubility	NOUN
admet-1879	41	14	values	value	NOUN
admet-1879	41	15	of	of	ADP
admet-1879	41	16	drug	drug	NOUN
admet-1879	41	17	-	-	PUNCT
admet-1879	41	18	like	like	ADJ
admet-1879	41	19	or	or	CCONJ
admet-1879	41	20	drug	drug	NOUN
admet-1879	41	21	-	-	PUNCT
admet-1879	41	22	relevant	relevant	ADJ
admet-1879	41	23	molecules	molecule	NOUN
admet-1879	41	24	is	be	AUX
admet-1879	41	25	available	available	ADJ
admet-1879	41	26	.	.	PUNCT
admet-1879	42	1	it	it	PRON
admet-1879	42	2	mirrors	mirror	VERB
admet-1879	42	3	the	the	DET
admet-1879	42	4	consensus	consensus	NOUN
admet-1879	42	5	model	model	NOUN
admet-1879	42	6	[	[	X
admet-1879	42	7	19	19	NUM
admet-1879	42	8	]	]	PUNCT
admet-1879	42	9	.	.	PUNCT
admet-1879	43	1	analytic	analytic	ADJ
admet-1879	43	2	continuity	continuity	NOUN
admet-1879	43	3	of	of	ADP
admet-1879	43	4	methods	method	NOUN
admet-1879	43	5	to	to	PART
admet-1879	43	6	predict	predict	VERB
admet-1879	43	7	solubility	solubility	NOUN
admet-1879	43	8	of	of	ADP
admet-1879	43	9	drug	drug	NOUN
admet-1879	43	10	-	-	PUNCT
admet-1879	43	11	like	like	ADJ
admet-1879	43	12	molecules	molecule	NOUN
admet-1879	43	13	the	the	DET
admet-1879	43	14	solubility	solubility	NOUN
admet-1879	43	15	(	(	PUNCT
admet-1879	43	16	intrinsic	intrinsic	ADJ
admet-1879	43	17	,	,	PUNCT
admet-1879	43	18	log	log	NOUN
admet-1879	43	19	molarity	molarity	NOUN
admet-1879	43	20	units	unit	NOUN
admet-1879	43	21	)	)	PUNCT
admet-1879	43	22	calculated	calculate	VERB
admet-1879	43	23	by	by	ADP
admet-1879	43	24	gse	gse	PROPN
admet-1879	43	25	depends	depend	VERB
admet-1879	43	26	on	on	ADP
admet-1879	43	27	the	the	DET
admet-1879	43	28	value	value	NOUN
admet-1879	43	29	of	of	ADP
admet-1879	43	30	the	the	DET
admet-1879	43	31	octanol	octanol	NOUN
admet-1879	43	32	-	-	PUNCT
admet-1879	43	33	water	water	NOUN
admet-1879	43	34	partition	partition	NOUN
admet-1879	43	35	coefficient	coefficient	NOUN
admet-1879	43	36	(	(	PUNCT
admet-1879	43	37	measured	measure	VERB
admet-1879	43	38	log	log	NOUN
admet-1879	43	39	p	p	NOUN
admet-1879	43	40	or	or	CCONJ
admet-1879	43	41	calculated	calculate	VERB
admet-1879	43	42	clog	clog	NOUN
admet-1879	43	43	p	p	NOUN
admet-1879	43	44	)	)	PUNCT
admet-1879	43	45	and	and	CCONJ
admet-1879	43	46	the	the	DET
admet-1879	43	47	measured	measure	VERB
admet-1879	43	48	(	(	PUNCT
admet-1879	43	49	or	or	CCONJ
admet-1879	43	50	calculated	calculate	VERB
admet-1879	43	51	)	)	PUNCT
admet-1879	43	52	melting	melting	NOUN
admet-1879	43	53	point	point	NOUN
admet-1879	43	54	(	(	PUNCT
admet-1879	43	55	mp	mp	PROPN
admet-1879	43	56	/	/	SYM
admet-1879	43	57	°	°	PROPN
admet-1879	43	58	c	c	NOUN
admet-1879	43	59	)	)	PUNCT
admet-1879	43	60	of	of	ADP
admet-1879	43	61	the	the	DET
admet-1879	43	62	molecule	molecule	NOUN
admet-1879	43	63	.	.	PUNCT
admet-1879	44	1	no	no	DET
admet-1879	44	2	further	further	ADJ
admet-1879	44	3	training	training	NOUN
admet-1879	44	4	is	be	AUX
admet-1879	44	5	required	require	VERB
admet-1879	44	6	for	for	ADP
admet-1879	44	7	this	this	DET
admet-1879	44	8	thermodynamically	thermodynamically	ADV
admet-1879	44	9	well	well	ADV
admet-1879	44	10	-	-	PUNCT
admet-1879	44	11	founded	found	VERB
admet-1879	44	12	legacy	legacy	NOUN
admet-1879	44	13	equation	equation	NOUN
admet-1879	44	14	.	.	PUNCT
admet-1879	45	1	log	log	PROPN
admet-1879	45	2	s0	s0	PROPN
admet-1879	45	3	gse	gse	PROPN
admet-1879	45	4	=	=	PROPN
admet-1879	45	5	0.5	0.5	NUM
admet-1879	45	6	log	log	NOUN
admet-1879	45	7	p	p	PROPN
admet-1879	45	8	-0.01	-0.01	NUM
admet-1879	45	9	(	(	PUNCT
admet-1879	45	10	mp-25	mp-25	NOUN
admet-1879	45	11	)	)	PUNCT
admet-1879	45	12	(	(	PUNCT
admet-1879	45	13	1	1	X
admet-1879	45	14	)	)	PUNCT
admet-1879	45	15	the	the	DET
admet-1879	45	16	abraham	abraham	PROPN
admet-1879	45	17	and	and	CCONJ
admet-1879	45	18	le	le	X
admet-1879	46	1	[	[	X
admet-1879	46	2	28	28	NUM
admet-1879	46	3	]	]	X
admet-1879	46	4	absolv	absolv	ADJ
admet-1879	46	5	equation	equation	NOUN
admet-1879	46	6	to	to	PART
admet-1879	46	7	predict	predict	VERB
admet-1879	46	8	solubility	solubility	NOUN
admet-1879	46	9	takes	take	VERB
admet-1879	46	10	the	the	DET
admet-1879	46	11	form	form	NOUN
admet-1879	46	12	:	:	PUNCT
admet-1879	46	13	log	log	NOUN
admet-1879	46	14	s0	s0	PROPN
admet-1879	46	15	absolv	absolv	PROPN
admet-1879	46	16	=	=	PROPN
admet-1879	46	17	a0	a0	PROPN
admet-1879	46	18	+	+	CCONJ
admet-1879	46	19	a1a	a1a	PROPN
admet-1879	46	20	+	+	CCONJ
admet-1879	46	21	a2b	a2b	PROPN
admet-1879	46	22	+	+	X
admet-1879	46	23	a3sπ	a3sπ	PUNCT
admet-1879	47	1	+	+	CCONJ
admet-1879	47	2	a4e	a4e	PROPN
admet-1879	47	3	+	+	CCONJ
admet-1879	47	4	a5v	a5v	PROPN
admet-1879	47	5	+	+	CCONJ
admet-1879	47	6	a6ab	a6ab	PUNCT
admet-1879	47	7	(	(	PUNCT
admet-1879	47	8	2	2	NUM
admet-1879	47	9	)	)	PUNCT
admet-1879	47	10	in	in	ADP
admet-1879	47	11	the	the	DET
admet-1879	47	12	multiple	multiple	ADJ
admet-1879	47	13	linear	linear	ADJ
admet-1879	47	14	regression	regression	NOUN
admet-1879	47	15	(	(	PUNCT
admet-1879	47	16	mlr	mlr	NOUN
admet-1879	47	17	)	)	PUNCT
admet-1879	47	18	equation	equation	NOUN
admet-1879	47	19	,	,	PUNCT
admet-1879	47	20	the	the	DET
admet-1879	47	21	log	log	NOUN
admet-1879	47	22	s0	s0	PROPN
admet-1879	47	23	is	be	AUX
admet-1879	47	24	the	the	DET
admet-1879	47	25	dependent	dependent	ADJ
admet-1879	47	26	variable	variable	NOUN
admet-1879	47	27	(	(	PUNCT
admet-1879	47	28	measured	measure	VERB
admet-1879	47	29	log	log	NOUN
admet-1879	47	30	intrinsic	intrinsic	ADJ
admet-1879	47	31	molar	molar	ADJ
admet-1879	47	32	solubility	solubility	NOUN
admet-1879	47	33	)	)	PUNCT
admet-1879	47	34	and	and	CCONJ
admet-1879	47	35	the	the	DET
admet-1879	47	36	independent	independent	ADJ
admet-1879	47	37	variables	variable	NOUN
admet-1879	47	38	are	be	AUX
admet-1879	47	39	the	the	DET
admet-1879	47	40	five	five	NUM
admet-1879	47	41	solute	solute	ADJ
admet-1879	47	42	solvation	solvation	NOUN
admet-1879	47	43	descriptors	descriptor	NOUN
admet-1879	47	44	accounting	account	VERB
admet-1879	47	45	for	for	ADP
admet-1879	47	46	the	the	DET
admet-1879	47	47	energy	energy	NOUN
admet-1879	47	48	of	of	ADP
admet-1879	47	49	transfer	transfer	NOUN
admet-1879	47	50	of	of	ADP
admet-1879	47	51	solute	solute	NOUN
admet-1879	47	52	from	from	ADP
admet-1879	47	53	solid	solid	ADJ
admet-1879	47	54	to	to	ADP
admet-1879	47	55	the	the	DET
admet-1879	47	56	solution	solution	NOUN
admet-1879	47	57	phase	phase	NOUN
admet-1879	47	58	:	:	PUNCT
admet-1879	47	59	a	a	PRON
admet-1879	47	60	is	be	AUX
admet-1879	47	61	the	the	DET
admet-1879	47	62	sum	sum	NOUN
admet-1879	47	63	of	of	ADP
admet-1879	47	64	h	h	NOUN
admet-1879	47	65	-	-	PUNCT
admet-1879	47	66	bond	bond	NOUN
admet-1879	47	67	acidity	acidity	NOUN
admet-1879	47	68	(	(	PUNCT
admet-1879	47	69	donor	donor	NOUN
admet-1879	47	70	potential	potential	NOUN
admet-1879	47	71	)	)	PUNCT
admet-1879	47	72	,	,	PUNCT
admet-1879	47	73	b	b	PROPN
admet-1879	47	74	is	be	AUX
admet-1879	47	75	the	the	DET
admet-1879	47	76	sum	sum	NOUN
admet-1879	47	77	of	of	ADP
admet-1879	47	78	h	h	NOUN
admet-1879	47	79	-	-	PUNCT
admet-1879	47	80	bond	bond	NOUN
admet-1879	47	81	basicity	basicity	NOUN
admet-1879	47	82	(	(	PUNCT
admet-1879	47	83	acceptor	acceptor	NOUN
admet-1879	47	84	potential	potential	NOUN
admet-1879	47	85	)	)	PUNCT
admet-1879	47	86	,	,	PUNCT
admet-1879	47	87	sπ	sπ	NOUN
admet-1879	47	88	is	be	AUX
admet-1879	47	89	the	the	DET
admet-1879	47	90	dipolarity	dipolarity	NOUN
admet-1879	47	91	/	/	SYM
admet-1879	47	92	polarizability	polarizability	NOUN
admet-1879	47	93	(	(	PUNCT
admet-1879	47	94	subscripted	subscripte	VERB
admet-1879	47	95	here	here	ADV
admet-1879	47	96	,	,	PUNCT
admet-1879	47	97	so	so	ADV
admet-1879	47	98	as	as	SCONJ
admet-1879	47	99	not	not	PART
admet-1879	47	100	to	to	PART
admet-1879	47	101	be	be	AUX
admet-1879	47	102	confused	confuse	VERB
admet-1879	47	103	with	with	ADP
admet-1879	47	104	solubility	solubility	NOUN
admet-1879	47	105	)	)	PUNCT
admet-1879	47	106	,	,	PUNCT
admet-1879	47	107	e	e	X
admet-1879	47	108	is	be	AUX
admet-1879	47	109	an	an	DET
admet-1879	47	110	excess	excess	ADJ
admet-1879	47	111	molar	molar	ADJ
admet-1879	47	112	refractivity	refractivity	NOUN
admet-1879	47	113	in	in	ADP
admet-1879	47	114	units	unit	NOUN
admet-1879	47	115	of	of	ADP
admet-1879	47	116	(	(	PUNCT
admet-1879	47	117	cm3∙mol-1)/10	cm3∙mol-1)/10	X
admet-1879	47	118	,	,	PUNCT
admet-1879	47	119	and	and	CCONJ
admet-1879	47	120	v	v	NOUN
admet-1879	47	121	is	be	AUX
admet-1879	47	122	the	the	DET
admet-1879	47	123	mcgowan	mcgowan	PROPN
admet-1879	47	124	characteristic	characteristic	PROPN
admet-1879	47	125	molar	molar	PROPN
admet-1879	47	126	volume	volume	NOUN
admet-1879	47	127	in	in	ADP
admet-1879	47	128	units	unit	NOUN
admet-1879	47	129	of	of	ADP
admet-1879	47	130	(	(	PUNCT
admet-1879	47	131	cm3∙mol-1)/100	cm3∙mol-1)/100	PROPN
admet-1879	47	132	.	.	PUNCT
admet-1879	48	1	the	the	DET
admet-1879	48	2	a0	a0	PROPN
admet-1879	48	3	a6	a6	PROPN
admet-1879	48	4	constants	constant	NOUN
admet-1879	48	5	in	in	ADP
admet-1879	48	6	eq	eq	ADP
admet-1879	48	7	.	.	PUNCT
admet-1879	49	1	(	(	PUNCT
admet-1879	49	2	2	2	X
admet-1879	49	3	)	)	PUNCT
admet-1879	49	4	are	be	AUX
admet-1879	49	5	determined	determine	VERB
admet-1879	49	6	by	by	ADP
admet-1879	49	7	regression	regression	NOUN
admet-1879	49	8	based	base	VERB
admet-1879	49	9	on	on	ADP
admet-1879	49	10	the	the	DET
admet-1879	49	11	training	training	NOUN
admet-1879	49	12	database	database	NOUN
admet-1879	49	13	of	of	ADP
admet-1879	49	14	intrinsic	intrinsic	ADJ
admet-1879	49	15	solubility	solubility	NOUN
admet-1879	49	16	values	value	NOUN
admet-1879	49	17	.	.	PUNCT
admet-1879	50	1	the	the	DET
admet-1879	50	2	five	five	NUM
admet-1879	50	3	solvation	solvation	NOUN
admet-1879	50	4	descriptors	descriptor	NOUN
admet-1879	50	5	may	may	AUX
admet-1879	50	6	be	be	AUX
admet-1879	50	7	calculated	calculate	VERB
admet-1879	50	8	from	from	ADP
admet-1879	50	9	2d	2d	NUM
admet-1879	50	10	structure	structure	NOUN
admet-1879	50	11	(	(	PUNCT
admet-1879	50	12	provided	provide	VERB
admet-1879	50	13	in	in	ADP
admet-1879	50	14	smiles	smile	NOUN
admet-1879	50	15	notation	notation	NOUN
admet-1879	50	16	or	or	CCONJ
admet-1879	50	17	as	as	ADP
admet-1879	50	18	coordinates	coordinate	NOUN
admet-1879	50	19	in	in	ADP
admet-1879	50	20	a	a	DET
admet-1879	50	21	‘	'	PUNCT
admet-1879	50	22	mol	mol	NOUN
admet-1879	50	23	’	'	PUNCT
admet-1879	50	24	file	file	NOUN
admet-1879	50	25	)	)	PUNCT
admet-1879	50	26	using	use	VERB
admet-1879	50	27	the	the	DET
admet-1879	50	28	program	program	NOUN
admet-1879	50	29	absolv	absolv	NOUN
admet-1879	50	30	[	[	X
admet-1879	50	31	29	29	NUM
admet-1879	50	32	]	]	PUNCT
admet-1879	50	33	(	(	PUNCT
admet-1879	50	34	cf	cf	NOUN
admet-1879	50	35	.	.	PUNCT
admet-1879	50	36	www.acdlabs.com	www.acdlabs.com	X
admet-1879	50	37	)	)	PUNCT
admet-1879	50	38	.	.	PUNCT
admet-1879	51	1	http://www.acdlabs.com/	http://www.acdlabs.com/	PROPN
admet-1879	51	2	admet	admet	PROPN
admet-1879	51	3	&	&	CCONJ
admet-1879	51	4	dmpk	dmpk	PROPN
admet-1879	51	5	11(3	11(3	NUM
admet-1879	51	6	)	)	PUNCT
admet-1879	51	7	(	(	PUNCT
admet-1879	51	8	2023	2023	NUM
admet-1879	51	9	)	)	PUNCT
admet-1879	51	10	317	317	NUM
admet-1879	51	11	-	-	SYM
admet-1879	51	12	330	330	NUM
admet-1879	51	13	mechanistically	mechanistically	ADV
admet-1879	51	14	transparent	transparent	ADJ
admet-1879	51	15	models	model	NOUN
admet-1879	51	16	for	for	ADP
admet-1879	51	17	predicting	predict	VERB
admet-1879	51	18	aqueous	aqueous	ADJ
admet-1879	51	19	solubility	solubility	NOUN
admet-1879	51	20	doi	doi	NOUN
admet-1879	51	21	:	:	PUNCT
admet-1879	51	22	https://doi.org/10.5599/admet.1879	https://doi.org/10.5599/admet.1879	NOUN
admet-1879	51	23	319	319	NUM
admet-1879	51	24	as	as	SCONJ
admet-1879	51	25	detailed	detailed	ADJ
admet-1879	51	26	elsewhere	elsewhere	ADV
admet-1879	51	27	[	[	X
admet-1879	51	28	18	18	NUM
admet-1879	51	29	-	-	SYM
admet-1879	51	30	20	20	NUM
admet-1879	51	31	]	]	PUNCT
admet-1879	51	32	,	,	PUNCT
admet-1879	51	33	the	the	DET
admet-1879	51	34	flexible	flexible	ADJ
admet-1879	51	35	-	-	PUNCT
admet-1879	51	36	acceptor	acceptor	NOUN
admet-1879	51	37	model	model	NOUN
admet-1879	51	38	,	,	PUNCT
admet-1879	51	39	gse(φ	gse(φ	PROPN
admet-1879	51	40	,	,	PUNCT
admet-1879	51	41	b	b	NOUN
admet-1879	51	42	)	)	PUNCT
admet-1879	51	43	,	,	PUNCT
admet-1879	51	44	was	be	AUX
admet-1879	51	45	developed	develop	VERB
admet-1879	51	46	as	as	ADP
admet-1879	51	47	a	a	DET
admet-1879	51	48	critical	critical	ADJ
admet-1879	51	49	expansion	expansion	NOUN
admet-1879	51	50	of	of	ADP
admet-1879	51	51	the	the	DET
admet-1879	51	52	legacy	legacy	NOUN
admet-1879	51	53	gse	gse	PROPN
admet-1879	51	54	,	,	PUNCT
admet-1879	51	55	following	follow	VERB
admet-1879	51	56	an	an	DET
admet-1879	51	57	exhaustive	exhaustive	ADJ
admet-1879	51	58	search	search	NOUN
admet-1879	51	59	of	of	ADP
admet-1879	51	60	descriptors	descriptor	NOUN
admet-1879	51	61	in	in	ADP
admet-1879	51	62	a	a	DET
admet-1879	51	63	principal	principal	ADJ
admet-1879	51	64	components	component	NOUN
admet-1879	51	65	analysis	analysis	NOUN
admet-1879	51	66	.	.	PUNCT
admet-1879	52	1	for	for	ADP
admet-1879	52	2	the	the	DET
admet-1879	52	3	original	original	ADJ
admet-1879	52	4	three	three	NUM
admet-1879	52	5	constants	constant	NOUN
admet-1879	52	6	(	(	PUNCT
admet-1879	52	7	0.5	0.5	NUM
admet-1879	52	8	,	,	PUNCT
admet-1879	52	9	-1.0	-1.0	PROPN
admet-1879	52	10	,	,	PUNCT
admet-1879	52	11	-0.01	-0.01	NUM
admet-1879	52	12	)	)	PUNCT
admet-1879	52	13	in	in	ADP
admet-1879	52	14	eq	eq	ADP
admet-1879	52	15	.	.	PUNCT
admet-1879	53	1	(	(	PUNCT
admet-1879	53	2	1	1	NUM
admet-1879	53	3	)	)	PUNCT
admet-1879	53	4	,	,	PUNCT
admet-1879	53	5	the	the	DET
admet-1879	53	6	first	first	ADJ
admet-1879	53	7	two	two	NUM
admet-1879	53	8	were	be	AUX
admet-1879	53	9	fitted	fit	VERB
admet-1879	53	10	to	to	ADP
admet-1879	53	11	an	an	DET
admet-1879	53	12	exponential	exponential	ADJ
admet-1879	53	13	function	function	NOUN
admet-1879	53	14	of	of	ADP
admet-1879	53	15	the	the	DET
admet-1879	53	16	sum	sum	NOUN
admet-1879	53	17	of	of	ADP
admet-1879	53	18	two	two	NUM
admet-1879	53	19	descriptors	descriptor	NOUN
admet-1879	53	20	,	,	PUNCT
admet-1879	53	21	φ	φ	PROPN
admet-1879	53	22	(	(	PUNCT
admet-1879	53	23	kier	kier	PROPN
admet-1879	53	24	’s	’s	X
admet-1879	53	25	[	[	X
admet-1879	53	26	34	34	NUM
admet-1879	53	27	]	]	X
admet-1879	53	28	molecular	molecular	ADJ
admet-1879	53	29	flexibility	flexibility	NOUN
admet-1879	53	30	index	index	NOUN
admet-1879	53	31	)	)	PUNCT
admet-1879	53	32	and	and	CCONJ
admet-1879	53	33	b	b	X
admet-1879	53	34	(	(	PUNCT
admet-1879	53	35	abraham	abraham	PROPN
admet-1879	53	36	’s	’s	PART
admet-1879	53	37	[	[	X
admet-1879	53	38	27	27	NUM
admet-1879	53	39	-	-	SYM
admet-1879	53	40	29	29	NUM
admet-1879	53	41	]	]	X
admet-1879	53	42	h	h	ADJ
admet-1879	53	43	-	-	PUNCT
admet-1879	53	44	bond	bond	NOUN
admet-1879	53	45	acceptor	acceptor	NOUN
admet-1879	53	46	potential	potential	NOUN
admet-1879	53	47	)	)	PUNCT
admet-1879	53	48	.	.	PUNCT
admet-1879	54	1	the	the	DET
admet-1879	54	2	third	third	ADJ
admet-1879	54	3	crystal	crystal	NOUN
admet-1879	54	4	-	-	PUNCT
admet-1879	54	5	lattice	lattice	NOUN
admet-1879	54	6	contribution	contribution	NOUN
admet-1879	54	7	term	term	NOUN
admet-1879	54	8	was	be	AUX
admet-1879	54	9	best	well	ADV
admet-1879	54	10	characterized	characterize	VERB
admet-1879	54	11	as	as	ADP
admet-1879	54	12	a	a	DET
admet-1879	54	13	linear	linear	ADJ
admet-1879	54	14	function	function	NOUN
admet-1879	54	15	of	of	ADP
admet-1879	54	16	φ+b	φ+b	PROPN
admet-1879	54	17	.	.	PUNCT
admet-1879	55	1	log	log	PROPN
admet-1879	55	2	s0	s0	PROPN
admet-1879	55	3	gse(φ	gse(φ	PROPN
admet-1879	55	4	,	,	PUNCT
admet-1879	55	5	b	b	NOUN
admet-1879	55	6	)	)	PUNCT
admet-1879	55	7	=	=	SYM
admet-1879	55	8	c0	c0	PROPN
admet-1879	55	9	+	+	CCONJ
admet-1879	55	10	c1	c1	PROPN
admet-1879	55	11	·	·	PUNCT
admet-1879	55	12	clog	clog	VERB
admet-1879	55	13	p	p	PROPN
admet-1879	55	14	+	+	PROPN
admet-1879	55	15	c2	c2	PROPN
admet-1879	55	16	·	·	PUNCT
admet-1879	56	1	(	(	PUNCT
admet-1879	56	2	mp-25)/100	mp-25)/100	X
admet-1879	56	3	=	=	PUNCT
admet-1879	56	4	{	{	PUNCT
admet-1879	56	5	b0	b0	NOUN
admet-1879	56	6	+	+	CCONJ
admet-1879	56	7	b1·exp(b2(φ+b	b1·exp(b2(φ+b	ADJ
admet-1879	56	8	)	)	PUNCT
admet-1879	56	9	)	)	PUNCT
admet-1879	56	10	}	}	PUNCT
admet-1879	57	1	+	+	CCONJ
admet-1879	57	2	+	+	CCONJ
admet-1879	57	3	{	{	PUNCT
admet-1879	57	4	b3	b3	PROPN
admet-1879	57	5	+	+	CCONJ
admet-1879	57	6	b4(1	b4(1	PROPN
admet-1879	57	7	exp(b5(φ+b	exp(b5(φ+b	NOUN
admet-1879	57	8	)	)	PUNCT
admet-1879	57	9	)	)	PUNCT
admet-1879	57	10	}	}	PUNCT
admet-1879	57	11	clog	clog	VERB
admet-1879	57	12	p	p	NOUN
admet-1879	57	13	+	+	CCONJ
admet-1879	57	14	{	{	PUNCT
admet-1879	57	15	b6	b6	NOUN
admet-1879	57	16	+	+	CCONJ
admet-1879	57	17	b7·(φ+b)}(mp-25)/100	b7·(φ+b)}(mp-25)/100	NOUN
admet-1879	57	18	(	(	PUNCT
admet-1879	57	19	3	3	NUM
admet-1879	57	20	)	)	PUNCT
admet-1879	57	21	the	the	DET
admet-1879	57	22	molecular	molecular	ADJ
admet-1879	57	23	flexibility	flexibility	NOUN
admet-1879	57	24	descriptor	descriptor	NOUN
admet-1879	57	25	,	,	PUNCT
admet-1879	57	26	φ	φ	PROPN
admet-1879	57	27	,	,	PUNCT
admet-1879	57	28	has	have	AUX
admet-1879	57	29	been	be	AUX
admet-1879	57	30	defined	define	VERB
admet-1879	57	31	[	[	PUNCT
admet-1879	57	32	34	34	NUM
admet-1879	57	33	]	]	PUNCT
admet-1879	57	34	in	in	ADP
admet-1879	57	35	terms	term	NOUN
admet-1879	57	36	of	of	ADP
admet-1879	57	37	structural	structural	ADJ
admet-1879	57	38	attributes	attribute	NOUN
admet-1879	57	39	(	(	PUNCT
admet-1879	57	40	chains	chain	NOUN
admet-1879	57	41	,	,	PUNCT
admet-1879	57	42	rings	ring	NOUN
admet-1879	57	43	,	,	PUNCT
admet-1879	57	44	branches	branch	NOUN
admet-1879	57	45	,	,	PUNCT
admet-1879	57	46	atom	atom	NOUN
admet-1879	57	47	counts	count	NOUN
admet-1879	57	48	)	)	PUNCT
admet-1879	57	49	as	as	ADP
admet-1879	57	50	φ	φ	NUM
admet-1879	57	51	=	=	SYM
admet-1879	57	52	1κ	1κ	PROPN
admet-1879	57	53	·	·	PUNCT
admet-1879	57	54	2κ	2κ	NOUN
admet-1879	57	55	/nha	/nha	NOUN
admet-1879	57	56	,	,	PUNCT
admet-1879	57	57	where	where	SCONJ
admet-1879	57	58	1κ	1κ	NUM
admet-1879	57	59	and	and	CCONJ
admet-1879	57	60	2κ	2κ	NOUN
admet-1879	57	61	are	be	AUX
admet-1879	57	62	the	the	DET
admet-1879	57	63	firstand	firstand	ADJ
admet-1879	57	64	second	second	ADJ
admet-1879	57	65	-	-	PUNCT
admet-1879	57	66	order	order	NOUN
admet-1879	57	67	topological	topological	ADJ
admet-1879	57	68	shape	shape	NOUN
admet-1879	57	69	indices	index	NOUN
admet-1879	57	70	,	,	PUNCT
admet-1879	57	71	and	and	CCONJ
admet-1879	57	72	nha	nha	NOUN
admet-1879	57	73	is	be	AUX
admet-1879	57	74	the	the	DET
admet-1879	57	75	heavy	heavy	ADJ
admet-1879	57	76	atom	atom	NOUN
admet-1879	57	77	count	count	NOUN
admet-1879	57	78	in	in	ADP
admet-1879	57	79	the	the	DET
admet-1879	57	80	molecule	molecule	NOUN
admet-1879	57	81	(	(	PUNCT
admet-1879	57	82	rdkit	rdkit	ADJ
admet-1879	57	83	descriptors	descriptor	NOUN
admet-1879	57	84	from	from	ADP
admet-1879	57	85	http://www.rdkit.org	http://www.rdkit.org	NUM
admet-1879	57	86	)	)	PUNCT
admet-1879	57	87	.	.	PUNCT
admet-1879	58	1	in	in	ADP
admet-1879	58	2	the	the	DET
admet-1879	58	3	wiki	wiki	NOUN
admet-1879	58	4	-	-	PUNCT
admet-1879	58	5	ps0	ps0	ADJ
admet-1879	58	6	database	database	NOUN
admet-1879	58	7	,	,	PUNCT
admet-1879	58	8	φ	φ	PROPN
admet-1879	58	9	values	value	NOUN
admet-1879	58	10	ranged	range	VERB
admet-1879	58	11	from	from	ADP
admet-1879	58	12	0.4	0.4	NUM
admet-1879	58	13	to	to	ADP
admet-1879	58	14	43	43	NUM
admet-1879	58	15	.	.	PUNCT
admet-1879	59	1	for	for	ADP
admet-1879	59	2	molecules	molecule	NOUN
admet-1879	59	3	with	with	ADP
admet-1879	59	4	molecular	molecular	ADJ
admet-1879	59	5	weight	weight	NOUN
admet-1879	59	6	>	>	X
admet-1879	59	7	500	500	NUM
admet-1879	59	8	da	da	NOUN
admet-1879	59	9	,	,	PUNCT
admet-1879	59	10	the	the	DET
admet-1879	59	11	630	630	NUM
admet-1879	59	12	φ	φ	PROPN
admet-1879	59	13	values	value	NOUN
admet-1879	59	14	range	range	VERB
admet-1879	59	15	from	from	ADP
admet-1879	59	16	4.9	4.9	NUM
admet-1879	59	17	to	to	ADP
admet-1879	59	18	43	43	NUM
admet-1879	59	19	,	,	PUNCT
admet-1879	59	20	averaging	average	VERB
admet-1879	59	21	12	12	NUM
admet-1879	59	22	.	.	PUNCT
admet-1879	60	1	b	b	X
admet-1879	60	2	(	(	PUNCT
admet-1879	60	3	cf	cf	NOUN
admet-1879	60	4	.	.	PUNCT
admet-1879	61	1	eq	eq	NOUN
admet-1879	61	2	.	.	NOUN
admet-1879	61	3	2	2	NUM
admet-1879	61	4	)	)	PUNCT
admet-1879	61	5	for	for	ADP
admet-1879	61	6	the	the	DET
admet-1879	61	7	large	large	ADJ
admet-1879	61	8	molecules	molecule	NOUN
admet-1879	61	9	ranges	range	VERB
admet-1879	61	10	from	from	ADP
admet-1879	61	11	0.4	0.4	NUM
admet-1879	61	12	to	to	ADP
admet-1879	61	13	12.9	12.9	NUM
admet-1879	61	14	,	,	PUNCT
admet-1879	61	15	averaging	average	VERB
admet-1879	61	16	3.6	3.6	NUM
admet-1879	61	17	.	.	PUNCT
admet-1879	62	1	in	in	ADP
admet-1879	62	2	the	the	DET
admet-1879	62	3	development	development	NOUN
admet-1879	62	4	of	of	ADP
admet-1879	62	5	the	the	DET
admet-1879	62	6	sge(φ	sge(φ	PROPN
admet-1879	62	7	,	,	PUNCT
admet-1879	62	8	b	b	NOUN
admet-1879	62	9	)	)	PUNCT
admet-1879	62	10	model	model	NOUN
admet-1879	62	11	,	,	PUNCT
admet-1879	62	12	several	several	ADJ
admet-1879	62	13	combinations	combination	NOUN
admet-1879	62	14	of	of	ADP
admet-1879	62	15	φ	φ	PROPN
admet-1879	62	16	and	and	CCONJ
admet-1879	62	17	single	single	ADJ
admet-1879	62	18	abraham	abraham	PROPN
admet-1879	62	19	descriptors	descriptor	NOUN
admet-1879	62	20	were	be	AUX
admet-1879	62	21	examined	examine	VERB
admet-1879	62	22	.	.	PUNCT
admet-1879	63	1	the	the	DET
admet-1879	63	2	sum	sum	NOUN
admet-1879	63	3	of	of	ADP
admet-1879	63	4	φ	φ	PROPN
admet-1879	63	5	and	and	CCONJ
admet-1879	63	6	b	b	NOUN
admet-1879	63	7	improved	improved	ADJ
admet-1879	63	8	performance	performance	NOUN
admet-1879	63	9	over	over	ADP
admet-1879	63	10	just	just	ADV
admet-1879	63	11	φ	φ	PROPN
admet-1879	63	12	in	in	ADP
admet-1879	63	13	eq	eq	ADP
admet-1879	63	14	.	.	PUNCT
admet-1879	64	1	(	(	PUNCT
admet-1879	64	2	3	3	X
admet-1879	64	3	)	)	PUNCT
admet-1879	65	1	[	[	X
admet-1879	65	2	18	18	NUM
admet-1879	65	3	-	-	SYM
admet-1879	65	4	20	20	NUM
admet-1879	65	5	]	]	PUNCT
admet-1879	65	6	.	.	PUNCT
admet-1879	66	1	the	the	DET
admet-1879	66	2	eight	eight	NUM
admet-1879	66	3	b0	b0	NOUN
admet-1879	66	4	-	-	PUNCT
admet-1879	66	5	b7	b7	PROPN
admet-1879	66	6	constants	constant	NOUN
admet-1879	66	7	in	in	ADP
admet-1879	66	8	the	the	DET
admet-1879	66	9	gse(φ	gse(φ	PROPN
admet-1879	66	10	,	,	PUNCT
admet-1879	66	11	b	b	NOUN
admet-1879	66	12	)	)	PUNCT
admet-1879	66	13	model	model	NOUN
admet-1879	66	14	were	be	AUX
admet-1879	66	15	determined	determine	VERB
admet-1879	66	16	in	in	ADP
admet-1879	66	17	two	two	NUM
admet-1879	66	18	steps	step	NOUN
admet-1879	66	19	.	.	PUNCT
admet-1879	67	1	(	(	PUNCT
admet-1879	67	2	i	i	NOUN
admet-1879	67	3	)	)	PUNCT
admet-1879	67	4	the	the	DET
admet-1879	67	5	log	log	NOUN
admet-1879	67	6	s0	s0	NOUN
admet-1879	67	7	values	value	NOUN
admet-1879	67	8	in	in	ADP
admet-1879	67	9	the	the	DET
admet-1879	67	10	training	training	NOUN
admet-1879	67	11	set	set	NOUN
admet-1879	67	12	were	be	AUX
admet-1879	67	13	sorted	sort	VERB
admet-1879	67	14	on	on	ADP
admet-1879	67	15	φ+b	φ+b	NUM
admet-1879	67	16	.	.	PUNCT
admet-1879	68	1	the	the	DET
admet-1879	68	2	sorted	sorted	ADJ
admet-1879	68	3	data	datum	NOUN
admet-1879	68	4	were	be	AUX
admet-1879	68	5	then	then	ADV
admet-1879	68	6	divided	divide	VERB
admet-1879	68	7	into	into	ADP
admet-1879	68	8	20	20	NUM
admet-1879	68	9	bins	bin	NOUN
admet-1879	68	10	,	,	PUNCT
admet-1879	68	11	each	each	PRON
admet-1879	68	12	of	of	ADP
admet-1879	68	13	near	near	ADV
admet-1879	68	14	-	-	PUNCT
admet-1879	68	15	equal	equal	ADJ
admet-1879	68	16	values	value	NOUN
admet-1879	68	17	of	of	ADP
admet-1879	68	18	φ+b	φ+b	NUM
admet-1879	68	19	.	.	PUNCT
admet-1879	69	1	seven	seven	NUM
admet-1879	69	2	of	of	ADP
admet-1879	69	3	the	the	DET
admet-1879	69	4	lowest-(φ+b	lowest-(φ+b	NOUN
admet-1879	69	5	)	)	PUNCT
admet-1879	69	6	bins	bin	NOUN
admet-1879	69	7	contained	contain	VERB
admet-1879	69	8	an	an	DET
admet-1879	69	9	average	average	NOUN
admet-1879	69	10	of	of	ADP
admet-1879	69	11	nearly	nearly	ADV
admet-1879	69	12	1000	1000	NUM
admet-1879	69	13	log	log	NOUN
admet-1879	69	14	s0	s0	NOUN
admet-1879	69	15	values	value	NOUN
admet-1879	69	16	per	per	ADP
admet-1879	69	17	bin	bin	PROPN
admet-1879	69	18	.	.	PUNCT
admet-1879	70	1	the	the	DET
admet-1879	70	2	data	datum	NOUN
admet-1879	70	3	in	in	ADP
admet-1879	70	4	each	each	DET
admet-1879	70	5	bin	bin	NOUN
admet-1879	70	6	were	be	AUX
admet-1879	70	7	then	then	ADV
admet-1879	70	8	analyzed	analyze	VERB
admet-1879	70	9	to	to	PART
admet-1879	70	10	find	find	VERB
admet-1879	70	11	the	the	DET
admet-1879	70	12	best	good	ADJ
admet-1879	70	13	-	-	PUNCT
admet-1879	70	14	fit	fit	ADJ
admet-1879	70	15	c0	c0	NOUN
admet-1879	70	16	,	,	PUNCT
admet-1879	70	17	c1	c1	PROPN
admet-1879	70	18	and	and	CCONJ
admet-1879	70	19	c2	c2	PROPN
admet-1879	70	20	constants	constant	NOUN
admet-1879	70	21	in	in	ADP
admet-1879	70	22	the	the	DET
admet-1879	70	23	first	first	ADJ
admet-1879	70	24	line	line	NOUN
admet-1879	70	25	of	of	ADP
admet-1879	70	26	eq	eq	PROPN
admet-1879	70	27	.	.	PUNCT
admet-1879	71	1	(	(	PUNCT
admet-1879	71	2	3	3	NUM
admet-1879	71	3	)	)	PUNCT
admet-1879	71	4	,	,	PUNCT
admet-1879	71	5	using	use	VERB
admet-1879	71	6	pls	pls	PROPN
admet-1879	71	7	regression	regression	NOUN
admet-1879	71	8	.	.	PUNCT
admet-1879	72	1	(	(	PUNCT
admet-1879	72	2	ii	ii	X
admet-1879	72	3	)	)	PUNCT
admet-1879	72	4	the	the	DET
admet-1879	72	5	resultant	resultant	NOUN
admet-1879	72	6	20	20	NUM
admet-1879	72	7	c0	c0	NOUN
admet-1879	72	8	,	,	PUNCT
admet-1879	72	9	c1	c1	PROPN
admet-1879	72	10	,	,	PUNCT
admet-1879	72	11	and	and	CCONJ
admet-1879	72	12	c2	c2	PROPN
admet-1879	72	13	constants	constant	NOUN
admet-1879	72	14	from	from	ADP
admet-1879	72	15	the	the	DET
admet-1879	72	16	bins	bin	NOUN
admet-1879	72	17	were	be	AUX
admet-1879	72	18	then	then	ADV
admet-1879	72	19	displayed	display	VERB
admet-1879	72	20	in	in	ADP
admet-1879	72	21	three	three	NUM
admet-1879	72	22	plots	plot	NOUN
admet-1879	72	23	against	against	ADP
admet-1879	72	24	(	(	PUNCT
admet-1879	72	25	φ	φ	PROPN
admet-1879	72	26	,	,	PUNCT
admet-1879	72	27	b	b	NOUN
admet-1879	72	28	)	)	PUNCT
admet-1879	72	29	values	value	NOUN
admet-1879	72	30	,	,	PUNCT
admet-1879	72	31	to	to	PART
admet-1879	72	32	suggest	suggest	VERB
admet-1879	72	33	possible	possible	ADJ
admet-1879	72	34	nonlinear	nonlinear	ADJ
admet-1879	72	35	fitting	fitting	ADJ
admet-1879	72	36	equations	equation	NOUN
admet-1879	72	37	.	.	PUNCT
admet-1879	73	1	from	from	ADP
admet-1879	73	2	this	this	PRON
admet-1879	73	3	,	,	PUNCT
admet-1879	73	4	the	the	DET
admet-1879	73	5	analytical	analytical	ADJ
admet-1879	73	6	expressions	expression	NOUN
admet-1879	73	7	for	for	ADP
admet-1879	73	8	the	the	DET
admet-1879	73	9	c	c	NOUN
admet-1879	73	10	-	-	PUNCT
admet-1879	73	11	coefficients	coefficient	NOUN
admet-1879	73	12	were	be	AUX
admet-1879	73	13	determined	determine	VERB
admet-1879	73	14	by	by	ADP
admet-1879	73	15	standard	standard	ADJ
admet-1879	73	16	nonlinear	nonlinear	ADJ
admet-1879	73	17	least	least	ADJ
admet-1879	73	18	-	-	PUNCT
admet-1879	73	19	squares	square	NOUN
admet-1879	73	20	methods	method	NOUN
admet-1879	73	21	,	,	PUNCT
admet-1879	73	22	as	as	SCONJ
admet-1879	73	23	detailed	detail	VERB
admet-1879	73	24	elsewhere	elsewhere	ADV
admet-1879	74	1	[	[	X
admet-1879	74	2	18	18	NUM
admet-1879	74	3	-	-	SYM
admet-1879	74	4	20	20	NUM
admet-1879	74	5	]	]	PUNCT
admet-1879	74	6	.	.	PUNCT
admet-1879	75	1	of	of	ADP
admet-1879	75	2	the	the	DET
admet-1879	75	3	new	new	ADJ
admet-1879	75	4	ml	ml	ADP
admet-1879	75	5	statistical	statistical	ADJ
admet-1879	75	6	approaches	approach	NOUN
admet-1879	75	7	,	,	PUNCT
admet-1879	75	8	the	the	DET
admet-1879	75	9	rfr	rfr	PROPN
admet-1879	75	10	method	method	NOUN
admet-1879	75	11	is	be	AUX
admet-1879	75	12	thought	think	VERB
admet-1879	75	13	to	to	PART
admet-1879	75	14	be	be	AUX
admet-1879	75	15	among	among	ADP
admet-1879	75	16	the	the	DET
admet-1879	75	17	premier	premier	ADJ
admet-1879	75	18	performers	performer	NOUN
admet-1879	75	19	in	in	ADP
admet-1879	75	20	prediction	prediction	NOUN
admet-1879	75	21	accuracy	accuracy	NOUN
admet-1879	75	22	,	,	PUNCT
admet-1879	75	23	although	although	SCONJ
admet-1879	75	24	deep	deep	ADJ
admet-1879	75	25	-	-	PUNCT
admet-1879	75	26	learning	learn	VERB
admet-1879	75	27	neural	neural	ADJ
admet-1879	75	28	network	network	NOUN
admet-1879	75	29	methods	method	NOUN
admet-1879	75	30	may	may	AUX
admet-1879	75	31	be	be	AUX
admet-1879	75	32	as	as	ADV
admet-1879	75	33	good	good	ADJ
admet-1879	75	34	[	[	X
admet-1879	75	35	3,4	3,4	NUM
admet-1879	75	36	]	]	PUNCT
admet-1879	75	37	.	.	PUNCT
admet-1879	76	1	the	the	DET
admet-1879	76	2	rfr	rfr	PROPN
admet-1879	76	3	software	software	NOUN
admet-1879	76	4	is	be	AUX
admet-1879	76	5	freely	freely	ADV
admet-1879	76	6	downloadable	downloadable	ADJ
admet-1879	76	7	and	and	CCONJ
admet-1879	76	8	is	be	AUX
admet-1879	76	9	easy	easy	ADJ
admet-1879	76	10	to	to	PART
admet-1879	76	11	use	use	VERB
admet-1879	76	12	(	(	PUNCT
admet-1879	76	13	cf	cf	NOUN
admet-1879	76	14	.	.	PUNCT
admet-1879	76	15	’	'	PUNCT
admet-1879	76	16	random	random	ADJ
admet-1879	76	17	forest	forest	NOUN
admet-1879	76	18	’	'	PUNCT
admet-1879	76	19	library	library	NOUN
admet-1879	76	20	for	for	ADP
admet-1879	76	21	the	the	DET
admet-1879	76	22	r	r	NOUN
admet-1879	76	23	statistical	statistical	ADJ
admet-1879	76	24	software	software	NOUN
admet-1879	76	25	[	[	X
admet-1879	76	26	31	31	NUM
admet-1879	76	27	-	-	SYM
admet-1879	76	28	33	33	NUM
admet-1879	76	29	]	]	PUNCT
admet-1879	76	30	)	)	PUNCT
admet-1879	76	31	.	.	PUNCT
admet-1879	77	1	the	the	DET
admet-1879	77	2	method	method	NOUN
admet-1879	77	3	works	work	VERB
admet-1879	77	4	by	by	ADP
admet-1879	77	5	constructing	construct	VERB
admet-1879	77	6	an	an	DET
admet-1879	77	7	ensemble	ensemble	NOUN
admet-1879	77	8	of	of	ADP
admet-1879	77	9	hundreds	hundred	NOUN
admet-1879	77	10	of	of	ADP
admet-1879	77	11	decision	decision	NOUN
admet-1879	77	12	trees	tree	NOUN
admet-1879	77	13	based	base	VERB
admet-1879	77	14	on	on	ADP
admet-1879	77	15	a	a	DET
admet-1879	77	16	random	random	ADJ
admet-1879	77	17	selection	selection	NOUN
admet-1879	77	18	of	of	ADP
admet-1879	77	19	a	a	DET
admet-1879	77	20	portion	portion	NOUN
admet-1879	77	21	of	of	ADP
admet-1879	77	22	the	the	DET
admet-1879	77	23	training	training	NOUN
admet-1879	77	24	set	set	NOUN
admet-1879	77	25	of	of	ADP
admet-1879	77	26	solubility	solubility	NOUN
admet-1879	77	27	measurements	measurement	NOUN
admet-1879	77	28	,	,	PUNCT
admet-1879	77	29	using	use	VERB
admet-1879	77	30	hundreds	hundred	NOUN
admet-1879	77	31	of	of	ADP
admet-1879	77	32	randomly	randomly	ADV
admet-1879	77	33	-	-	PUNCT
admet-1879	77	34	grouped	group	VERB
admet-1879	77	35	descriptors	descriptor	NOUN
admet-1879	77	36	provided	provide	VERB
admet-1879	77	37	by	by	ADP
admet-1879	77	38	the	the	DET
admet-1879	77	39	user	user	NOUN
admet-1879	77	40	.	.	PUNCT
admet-1879	78	1	it	it	PRON
admet-1879	78	2	is	be	AUX
admet-1879	78	3	not	not	PART
admet-1879	78	4	possible	possible	ADJ
admet-1879	78	5	to	to	PART
admet-1879	78	6	state	state	VERB
admet-1879	78	7	a	a	DET
admet-1879	78	8	simple	simple	ADJ
admet-1879	78	9	explicit	explicit	ADJ
admet-1879	78	10	equation	equation	NOUN
admet-1879	78	11	,	,	PUNCT
admet-1879	78	12	like	like	ADP
admet-1879	78	13	eqs	eqs	PROPN
admet-1879	78	14	.	.	PUNCT
admet-1879	79	1	(	(	PUNCT
admet-1879	79	2	1)-(3	1)-(3	NUM
admet-1879	79	3	)	)	PUNCT
admet-1879	79	4	,	,	PUNCT
admet-1879	79	5	for	for	ADP
admet-1879	79	6	the	the	DET
admet-1879	79	7	rfr	rfr	PROPN
admet-1879	79	8	method	method	NOUN
admet-1879	79	9	.	.	PUNCT
admet-1879	80	1	in	in	ADP
admet-1879	80	2	this	this	DET
admet-1879	80	3	study	study	NOUN
admet-1879	80	4	,	,	PUNCT
admet-1879	80	5	all	all	DET
admet-1879	80	6	metrics	metric	NOUN
admet-1879	80	7	expressed	express	VERB
admet-1879	80	8	as	as	SCONJ
admet-1879	80	9	the	the	DET
admet-1879	80	10	coefficient	coefficient	NOUN
admet-1879	80	11	of	of	ADP
admet-1879	80	12	determinations	determination	NOUN
admet-1879	80	13	(	(	PUNCT
admet-1879	80	14	r2	r2	PROPN
admet-1879	80	15	)	)	PUNCT
admet-1879	80	16	and	and	CCONJ
admet-1879	80	17	root	root	NOUN
admet-1879	80	18	-	-	PUNCT
admet-1879	80	19	mean	mean	NOUN
admet-1879	80	20	square	square	ADJ
admet-1879	80	21	errors	error	NOUN
admet-1879	80	22	(	(	PUNCT
admet-1879	80	23	rmse	rmse	PROPN
admet-1879	80	24	)	)	PUNCT
admet-1879	80	25	are	be	AUX
admet-1879	80	26	of	of	ADP
admet-1879	80	27	the	the	DET
admet-1879	80	28	‘	'	PUNCT
admet-1879	80	29	validation	validation	NOUN
admet-1879	80	30	type	type	NOUN
admet-1879	80	31	’	'	PUNCT
admet-1879	81	1	[	[	X
admet-1879	81	2	35	35	NUM
admet-1879	81	3	]	]	PUNCT
admet-1879	81	4	,	,	PUNCT
admet-1879	81	5	unless	unless	SCONJ
admet-1879	81	6	otherwise	otherwise	ADV
admet-1879	81	7	indicated	indicate	VERB
admet-1879	81	8	(	(	PUNCT
admet-1879	81	9	see	see	VERB
admet-1879	81	10	abbreviations	abbreviation	NOUN
admet-1879	81	11	and	and	CCONJ
admet-1879	81	12	definitions	definition	NOUN
admet-1879	81	13	)	)	PUNCT
admet-1879	81	14	.	.	PUNCT
admet-1879	82	1	also	also	ADV
admet-1879	82	2	,	,	PUNCT
admet-1879	82	3	all	all	DET
admet-1879	82	4	logarithm	logarithm	NOUN
admet-1879	82	5	functions	function	NOUN
admet-1879	82	6	are	be	AUX
admet-1879	82	7	with	with	ADP
admet-1879	82	8	reference	reference	NOUN
admet-1879	82	9	to	to	PART
admet-1879	82	10	base	base	VERB
admet-1879	82	11	10	10	NUM
admet-1879	82	12	.	.	PUNCT
admet-1879	83	1	random	random	ADJ
admet-1879	83	2	forest	forest	NOUN
admet-1879	83	3	regression	regression	NOUN
admet-1879	83	4	trained	train	VERB
admet-1879	83	5	with	with	ADP
admet-1879	83	6	the	the	DET
admet-1879	83	7	wiki	wiki	NOUN
admet-1879	83	8	-	-	PUNCT
admet-1879	83	9	ps0	ps0	ADJ
admet-1879	83	10	database	database	NOUN
admet-1879	83	11	in	in	ADP
admet-1879	83	12	the	the	DET
admet-1879	83	13	first	first	ADJ
admet-1879	83	14	of	of	ADP
admet-1879	83	15	our	our	PRON
admet-1879	83	16	recent	recent	ADJ
admet-1879	83	17	solubility	solubility	NOUN
admet-1879	83	18	prediction	prediction	NOUN
admet-1879	83	19	studies	study	NOUN
admet-1879	83	20	[	[	X
admet-1879	83	21	16	16	NUM
admet-1879	83	22	]	]	X
admet-1879	83	23	,	,	PUNCT
admet-1879	83	24	four	four	NUM
admet-1879	83	25	test	test	NOUN
admet-1879	83	26	sets	set	NOUN
admet-1879	83	27	were	be	AUX
admet-1879	83	28	examined	examine	VERB
admet-1879	83	29	:	:	PUNCT
admet-1879	83	30	•	•	NUM
admet-1879	83	31	test	test	NOUN
admet-1879	83	32	set	set	VERB
admet-1879	83	33	1	1	NUM
admet-1879	83	34	–	–	PUNCT
admet-1879	83	35	yalkowsky	yalkowsky	ADJ
admet-1879	83	36	-	-	PUNCT
admet-1879	83	37	banerjee	banerjee	NOUN
admet-1879	84	1	[	[	X
admet-1879	84	2	22	22	NUM
admet-1879	84	3	]	]	PUNCT
admet-1879	84	4	set	set	NOUN
admet-1879	84	5	of	of	ADP
admet-1879	84	6	21	21	NUM
admet-1879	84	7	organic	organic	ADJ
admet-1879	84	8	nonelectrolytes	nonelectrolyte	NOUN
admet-1879	84	9	(	(	PUNCT
admet-1879	84	10	6	6	NUM
admet-1879	84	11	solid	solid	ADJ
admet-1879	84	12	and	and	CCONJ
admet-1879	84	13	3	3	NUM
admet-1879	84	14	liquid	liquid	NOUN
admet-1879	84	15	poorly	poorly	ADV
admet-1879	84	16	-	-	PUNCT
admet-1879	84	17	soluble	soluble	ADJ
admet-1879	84	18	pesticides	pesticide	NOUN
admet-1879	84	19	,	,	PUNCT
admet-1879	84	20	11	11	NUM
admet-1879	84	21	older	old	ADJ
admet-1879	84	22	drugs	drug	NOUN
admet-1879	84	23	,	,	PUNCT
admet-1879	84	24	and	and	CCONJ
admet-1879	84	25	a	a	DET
admet-1879	84	26	dye	dye	NOUN
admet-1879	84	27	/	/	SYM
admet-1879	84	28	laxative	laxative	NOUN
admet-1879	84	29	molecule	molecule	NOUN
admet-1879	84	30	)	)	PUNCT
admet-1879	84	31	,	,	PUNCT
admet-1879	84	32	with	with	SCONJ
admet-1879	84	33	the	the	DET
admet-1879	84	34	test	test	NOUN
admet-1879	84	35	set	set	VERB
admet-1879	84	36	mean	mean	INTJ
admet-1879	84	37	log	log	NOUN
admet-1879	85	1	s0	s0	NOUN
admet-1879	85	2	=	=	SYM
admet-1879	85	3	-3.85	-3.85	PROPN
admet-1879	85	4	(	(	PUNCT
admet-1879	85	5	log	log	NOUN
admet-1879	85	6	molarity	molarity	NOUN
admet-1879	85	7	)	)	PUNCT
admet-1879	85	8	.	.	PUNCT
admet-1879	86	1	this	this	DET
admet-1879	86	2	set	set	NOUN
admet-1879	86	3	has	have	AUX
admet-1879	86	4	been	be	AUX
admet-1879	86	5	widely	widely	ADV
admet-1879	86	6	tested	test	VERB
admet-1879	86	7	by	by	ADP
admet-1879	86	8	other	other	ADJ
admet-1879	86	9	investigators	investigator	NOUN
admet-1879	86	10	,	,	PUNCT
admet-1879	86	11	to	to	PART
admet-1879	86	12	assess	assess	VERB
admet-1879	86	13	the	the	DET
admet-1879	86	14	effectiveness	effectiveness	NOUN
admet-1879	86	15	of	of	ADP
admet-1879	86	16	prediction	prediction	NOUN
admet-1879	86	17	models	model	NOUN
admet-1879	86	18	.	.	PUNCT
admet-1879	87	1	•	•	NUM
admet-1879	87	2	test	test	NOUN
admet-1879	87	3	set	set	VERB
admet-1879	87	4	2	2	NUM
admet-1879	87	5	–	–	PUNCT
admet-1879	87	6	hopfinger	hopfinger	NOUN
admet-1879	87	7	et	et	PROPN
admet-1879	87	8	al	al	PROPN
admet-1879	87	9	.	.	PUNCT
admet-1879	88	1	[	[	X
admet-1879	88	2	2	2	NUM
admet-1879	88	3	]	]	PUNCT
admet-1879	88	4	set	set	NOUN
admet-1879	88	5	of	of	ADP
admet-1879	88	6	28	28	NUM
admet-1879	88	7	well	well	ADV
admet-1879	88	8	-	-	PUNCT
admet-1879	88	9	studied	study	VERB
admet-1879	88	10	drugs	drug	NOUN
admet-1879	88	11	(	(	PUNCT
admet-1879	88	12	all	all	PRON
admet-1879	88	13	ionizable	ionizable	ADJ
admet-1879	88	14	)	)	PUNCT
admet-1879	88	15	,	,	PUNCT
admet-1879	88	16	with	with	ADP
admet-1879	88	17	mean	mean	PROPN
admet-1879	88	18	log	log	NOUN
admet-1879	88	19	s0	s0	NOUN
admet-1879	88	20	=	=	PUNCT
admet-1879	88	21	-4.03	-4.03	NOUN
admet-1879	88	22	.	.	PUNCT
admet-1879	89	1	this	this	DET
admet-1879	89	2	test	test	NOUN
admet-1879	89	3	was	be	AUX
admet-1879	89	4	part	part	NOUN
admet-1879	89	5	of	of	ADP
admet-1879	89	6	the	the	DET
admet-1879	89	7	first	first	ADJ
admet-1879	89	8	solubility	solubility	NOUN
admet-1879	89	9	challenge	challenge	NOUN
admet-1879	89	10	[	[	X
admet-1879	89	11	1,2	1,2	NUM
admet-1879	89	12	]	]	PUNCT
admet-1879	89	13	.	.	PUNCT
admet-1879	90	1	•	•	NUM
admet-1879	90	2	test	test	NOUN
admet-1879	90	3	set	set	VERB
admet-1879	90	4	3	3	NUM
admet-1879	90	5	–	–	PUNCT
admet-1879	90	6	llinas	llina	NOUN
admet-1879	90	7	-	-	PUNCT
admet-1879	90	8	avdeef	avdeef	NOUN
admet-1879	90	9	[	[	X
admet-1879	90	10	3	3	NUM
admet-1879	90	11	]	]	X
admet-1879	90	12	high	high	ADJ
admet-1879	90	13	-	-	PUNCT
admet-1879	90	14	consensus	consensus	NOUN
admet-1879	90	15	‘	'	PUNCT
admet-1879	90	16	tight	tight	ADJ
admet-1879	90	17	’	'	PUNCT
admet-1879	90	18	set	set	NOUN
admet-1879	90	19	of	of	ADP
admet-1879	90	20	100	100	NUM
admet-1879	90	21	drugs	drug	NOUN
admet-1879	90	22	,	,	PUNCT
admet-1879	90	23	with	with	ADP
admet-1879	90	24	the	the	DET
admet-1879	90	25	mean	mean	ADJ
admet-1879	90	26	log	log	NOUN
admet-1879	90	27	s0	s0	NOUN
admet-1879	90	28	=	=	PUNCT
admet-1879	90	29	-4.03	-4.03	NOUN
admet-1879	90	30	.	.	PUNCT
admet-1879	91	1	this	this	DET
admet-1879	91	2	test	test	NOUN
admet-1879	91	3	was	be	AUX
admet-1879	91	4	part	part	NOUN
admet-1879	91	5	of	of	ADP
admet-1879	91	6	the	the	DET
admet-1879	91	7	second	second	ADJ
admet-1879	91	8	solubility	solubility	NOUN
admet-1879	91	9	challenge	challenge	NOUN
admet-1879	91	10	[	[	X
admet-1879	91	11	3,4	3,4	NUM
admet-1879	91	12	]	]	PUNCT
admet-1879	91	13	.	.	PUNCT
admet-1879	92	1	•	•	NUM
admet-1879	92	2	test	test	NOUN
admet-1879	92	3	set	set	VERB
admet-1879	92	4	4	4	NUM
admet-1879	92	5	–	–	PUNCT
admet-1879	92	6	llinas	llina	NOUN
admet-1879	92	7	-	-	PUNCT
admet-1879	92	8	avdeef	avdeef	NOUN
admet-1879	92	9	[	[	X
admet-1879	92	10	3	3	NUM
admet-1879	92	11	]	]	X
admet-1879	92	12	low	low	ADJ
admet-1879	92	13	-	-	PUNCT
admet-1879	92	14	consensus	consensus	NOUN
admet-1879	92	15	‘	'	PUNCT
admet-1879	92	16	loose	loose	ADJ
admet-1879	92	17	set	set	NOUN
admet-1879	92	18	’	'	PUNCT
admet-1879	92	19	set	set	VERB
admet-1879	92	20	32	32	NUM
admet-1879	92	21	drugs	drug	NOUN
admet-1879	92	22	,	,	PUNCT
admet-1879	92	23	with	with	ADP
admet-1879	92	24	the	the	DET
admet-1879	92	25	mean	mean	ADJ
admet-1879	92	26	log	log	NOUN
admet-1879	92	27	s0	s0	NOUN
admet-1879	92	28	=	=	PUNCT
admet-1879	92	29	-5.24	-5.24	NOUN
admet-1879	92	30	.	.	PUNCT
admet-1879	93	1	this	this	DET
admet-1879	93	2	test	test	NOUN
admet-1879	93	3	was	be	AUX
admet-1879	93	4	also	also	ADV
admet-1879	93	5	used	use	VERB
admet-1879	93	6	in	in	ADP
admet-1879	93	7	the	the	DET
admet-1879	93	8	second	second	ADJ
admet-1879	93	9	solubility	solubility	NOUN
admet-1879	93	10	challenge	challenge	NOUN
admet-1879	93	11	[	[	X
admet-1879	93	12	3,4	3,4	NUM
admet-1879	93	13	]	]	PUNCT
admet-1879	93	14	.	.	PUNCT
admet-1879	94	1	it	it	PRON
admet-1879	94	2	was	be	AUX
admet-1879	94	3	found	find	VERB
admet-1879	94	4	that	that	SCONJ
admet-1879	94	5	all	all	DET
admet-1879	94	6	the	the	DET
admet-1879	94	7	predictions	prediction	NOUN
admet-1879	94	8	generated	generate	VERB
admet-1879	94	9	negative	negative	ADJ
admet-1879	94	10	bias	bias	NOUN
admet-1879	94	11	(	(	PUNCT
admet-1879	94	12	-0.08	-0.08	NUM
admet-1879	94	13	to	to	ADP
admet-1879	94	14	-0.65	-0.65	NUM
admet-1879	94	15	)	)	PUNCT
admet-1879	94	16	,	,	PUNCT
admet-1879	94	17	in	in	ADP
admet-1879	94	18	many	many	ADJ
admet-1879	94	19	cases	case	NOUN
admet-1879	94	20	suggesting	suggest	VERB
admet-1879	94	21	that	that	SCONJ
admet-1879	94	22	solubility	solubility	NOUN
admet-1879	94	23	of	of	ADP
admet-1879	94	24	low	low	ADJ
admet-1879	94	25	-	-	PUNCT
admet-1879	94	26	soluble	soluble	ADJ
admet-1879	94	27	compounds	compound	NOUN
admet-1879	94	28	was	be	AUX
admet-1879	94	29	overestimated	overestimate	VERB
admet-1879	94	30	.	.	PUNCT
admet-1879	95	1	rfr	rfr	PROPN
admet-1879	95	2	outperformed	outperform	VERB
admet-1879	95	3	the	the	DET
admet-1879	95	4	gse	gse	PROPN
admet-1879	95	5	and	and	CCONJ
admet-1879	95	6	absolv	absolv	ADJ
admet-1879	95	7	methods	method	NOUN
admet-1879	95	8	on	on	ADP
admet-1879	95	9	https://doi.org/10.5599/admet.1879	https://doi.org/10.5599/admet.1879	PROPN
admet-1879	95	10	http://www.rdkit.org/	http://www.rdkit.org/	PROPN
admet-1879	95	11	a.	a.	PROPN
admet-1879	95	12	avdeef	avdeef	PROPN
admet-1879	95	13	admet	admet	PROPN
admet-1879	95	14	&	&	CCONJ
admet-1879	95	15	dmpk	dmpk	PROPN
admet-1879	95	16	11(3	11(3	NUM
admet-1879	95	17	)	)	PUNCT
admet-1879	95	18	(	(	PUNCT
admet-1879	95	19	2023	2023	NUM
admet-1879	95	20	)	)	PUNCT
admet-1879	95	21	317	317	NUM
admet-1879	95	22	-	-	SYM
admet-1879	95	23	330	330	NUM
admet-1879	95	24	320	320	NUM
admet-1879	95	25	all	all	DET
admet-1879	95	26	common	common	ADJ
admet-1879	95	27	metrics	metric	NOUN
admet-1879	95	28	[	[	X
admet-1879	95	29	35	35	NUM
admet-1879	95	30	]	]	PUNCT
admet-1879	95	31	,	,	PUNCT
admet-1879	95	32	averaged	average	VERB
admet-1879	95	33	over	over	ADP
admet-1879	95	34	the	the	DET
admet-1879	95	35	four	four	NUM
admet-1879	95	36	test	test	NOUN
admet-1879	95	37	sets	set	NOUN
admet-1879	95	38	:	:	PUNCT
admet-1879	95	39	r2	r2	PROPN
admet-1879	95	40	avg	avg	NOUN
admet-1879	95	41	=	=	SYM
admet-1879	95	42	(	(	PUNCT
admet-1879	95	43	0.69	0.69	NUM
admet-1879	95	44	,	,	PUNCT
admet-1879	95	45	0.47	0.47	NUM
admet-1879	95	46	,	,	PUNCT
admet-1879	95	47	0.42	0.42	NUM
admet-1879	95	48	)	)	PUNCT
admet-1879	95	49	,	,	PUNCT
admet-1879	95	50	rmseavg	rmseavg	NOUN
admet-1879	95	51	=	=	SYM
admet-1879	95	52	(	(	PUNCT
admet-1879	95	53	0.92	0.92	NUM
admet-1879	95	54	,	,	PUNCT
admet-1879	95	55	1.17	1.17	NUM
admet-1879	95	56	,	,	PUNCT
admet-1879	95	57	1.17	1.17	NUM
admet-1879	95	58	)	)	PUNCT
admet-1879	95	59	,	,	PUNCT
admet-1879	95	60	mppavg	mppavg	NOUN
admet-1879	95	61	(	(	PUNCT
admet-1879	95	62	measure	measure	NOUN
admet-1879	95	63	of	of	ADP
admet-1879	95	64	prediction	prediction	NOUN
admet-1879	95	65	performance	performance	NOUN
admet-1879	95	66	[	[	X
admet-1879	95	67	2	2	NUM
admet-1879	95	68	]	]	PUNCT
admet-1879	95	69	)	)	PUNCT
admet-1879	95	70	=	=	SYM
admet-1879	95	71	(	(	PUNCT
admet-1879	95	72	51	51	NUM
admet-1879	95	73	,	,	PUNCT
admet-1879	95	74	38	38	NUM
admet-1879	95	75	and	and	CCONJ
admet-1879	95	76	32	32	NUM
admet-1879	95	77	%	%	NOUN
admet-1879	95	78	)	)	PUNCT
admet-1879	95	79	,	,	PUNCT
admet-1879	95	80	for	for	ADP
admet-1879	95	81	rfr	rfr	PROPN
admet-1879	95	82	,	,	PUNCT
admet-1879	95	83	absolv	absolv	NOUN
admet-1879	95	84	and	and	CCONJ
admet-1879	95	85	gse	gse	PROPN
admet-1879	95	86	,	,	PUNCT
admet-1879	95	87	respectively	respectively	ADV
admet-1879	95	88	.	.	PUNCT
admet-1879	96	1	it	it	PRON
admet-1879	96	2	is	be	AUX
admet-1879	96	3	interesting	interesting	ADJ
admet-1879	96	4	that	that	SCONJ
admet-1879	96	5	the	the	DET
admet-1879	96	6	rfr	rfr	PROPN
admet-1879	96	7	method	method	NOUN
admet-1879	96	8	predicted	predict	VERB
admet-1879	96	9	yalkowsky	yalkowsky	ADJ
admet-1879	96	10	-	-	PUNCT
admet-1879	96	11	banerjee	banerjee	NOUN
admet-1879	96	12	set	set	VERB
admet-1879	96	13	1	1	NUM
admet-1879	96	14	only	only	ADV
admet-1879	96	15	marginally	marginally	ADV
admet-1879	96	16	well	well	ADV
admet-1879	96	17	:	:	PUNCT
admet-1879	96	18	r2	r2	PROPN
admet-1879	96	19	=	=	PUNCT
admet-1879	96	20	0.82	0.82	NUM
admet-1879	96	21	,	,	PUNCT
admet-1879	96	22	rmse	rmse	NOUN
admet-1879	96	23	=	=	SYM
admet-1879	96	24	0.83	0.83	NUM
admet-1879	96	25	,	,	PUNCT
admet-1879	96	26	mpp	mpp	NOUN
admet-1879	96	27	=	=	SYM
admet-1879	96	28	57	57	NUM
admet-1879	96	29	%	%	NOUN
admet-1879	96	30	,	,	PUNCT
admet-1879	96	31	bias	bias	NOUN
admet-1879	96	32	=	=	NOUN
admet-1879	97	1	-0.23	-0.23	PROPN
admet-1879	97	2	.	.	PUNCT
admet-1879	98	1	when	when	SCONJ
admet-1879	98	2	115	115	NUM
admet-1879	98	3	practically	practically	ADV
admet-1879	98	4	-	-	PUNCT
admet-1879	98	5	insoluble	insoluble	ADJ
admet-1879	98	6	agrochemicals	agrochemical	NOUN
admet-1879	98	7	were	be	AUX
admet-1879	98	8	added	add	VERB
admet-1879	98	9	to	to	ADP
admet-1879	98	10	the	the	DET
admet-1879	98	11	wikips0	wikips0	PROPN
admet-1879	98	12	database	database	NOUN
admet-1879	98	13	(	(	PUNCT
admet-1879	98	14	which	which	PRON
admet-1879	98	15	had	have	AUX
admet-1879	98	16	been	be	AUX
admet-1879	98	17	devoid	devoid	ADJ
admet-1879	98	18	of	of	ADP
admet-1879	98	19	such	such	ADJ
admet-1879	98	20	pesticides	pesticide	NOUN
admet-1879	98	21	)	)	PUNCT
admet-1879	98	22	,	,	PUNCT
admet-1879	98	23	the	the	DET
admet-1879	98	24	performance	performance	NOUN
admet-1879	98	25	improved	improve	VERB
admet-1879	98	26	:	:	PUNCT
admet-1879	98	27	r2	r2	PROPN
admet-1879	98	28	=	=	SYM
admet-1879	98	29	0.89	0.89	NUM
admet-1879	98	30	,	,	PUNCT
admet-1879	98	31	rmse	rmse	NOUN
admet-1879	98	32	=	=	SYM
admet-1879	98	33	0.63	0.63	NUM
admet-1879	98	34	,	,	PUNCT
admet-1879	98	35	mpp	mpp	NOUN
admet-1879	98	36	=	=	SYM
admet-1879	98	37	71	71	NUM
admet-1879	98	38	%	%	NOUN
admet-1879	98	39	,	,	PUNCT
admet-1879	98	40	bias	bias	NOUN
admet-1879	99	1	=	=	SYM
admet-1879	99	2	+0.02	+0.02	PROPN
admet-1879	99	3	.	.	PUNCT
admet-1879	100	1	this	this	PRON
admet-1879	100	2	confirmed	confirm	VERB
admet-1879	100	3	the	the	DET
admet-1879	100	4	importance	importance	NOUN
admet-1879	100	5	of	of	ADP
admet-1879	100	6	matching	match	VERB
admet-1879	100	7	the	the	DET
admet-1879	100	8	chemical	chemical	ADJ
admet-1879	100	9	space	space	NOUN
admet-1879	100	10	of	of	ADP
admet-1879	100	11	test	test	NOUN
admet-1879	100	12	molecules	molecule	NOUN
admet-1879	100	13	with	with	ADP
admet-1879	100	14	those	those	PRON
admet-1879	100	15	in	in	ADP
admet-1879	100	16	the	the	DET
admet-1879	100	17	training	training	NOUN
admet-1879	100	18	set	set	NOUN
admet-1879	100	19	.	.	PUNCT
admet-1879	101	1	however	however	ADV
admet-1879	101	2	,	,	PUNCT
admet-1879	101	3	the	the	DET
admet-1879	101	4	ability	ability	NOUN
admet-1879	101	5	to	to	PART
admet-1879	101	6	predict	predict	VERB
admet-1879	101	7	the	the	DET
admet-1879	101	8	solubility	solubility	NOUN
admet-1879	101	9	of	of	ADP
admet-1879	101	10	drugs	drug	NOUN
admet-1879	101	11	to	to	ADP
admet-1879	101	12	the	the	DET
admet-1879	101	13	level	level	NOUN
admet-1879	101	14	of	of	ADP
admet-1879	101	15	the	the	DET
admet-1879	101	16	quality	quality	NOUN
admet-1879	101	17	of	of	ADP
admet-1879	101	18	measured	measured	ADJ
admet-1879	101	19	data	datum	NOUN
admet-1879	101	20	remained	remain	VERB
admet-1879	101	21	out	out	ADP
admet-1879	101	22	of	of	ADP
admet-1879	101	23	reach	reach	NOUN
admet-1879	101	24	(	(	PUNCT
admet-1879	101	25	rmse	rmse	NOUN
admet-1879	101	26	0.6	0.6	NUM
admet-1879	101	27	vs.	vs.	ADP
admet-1879	101	28	0.2	0.2	NUM
admet-1879	101	29	)	)	PUNCT
admet-1879	101	30	.	.	PUNCT
admet-1879	102	1	improvements	improvement	NOUN
admet-1879	102	2	in	in	ADP
admet-1879	102	3	the	the	DET
admet-1879	102	4	methods	method	NOUN
admet-1879	102	5	(	(	PUNCT
admet-1879	102	6	e.g.	e.g.	ADV
admet-1879	102	7	more	more	ADV
admet-1879	102	8	effective	effective	ADJ
admet-1879	102	9	descriptors	descriptor	NOUN
admet-1879	102	10	)	)	PUNCT
admet-1879	103	1	[	[	X
admet-1879	103	2	6	6	NUM
admet-1879	103	3	]	]	PUNCT
admet-1879	103	4	and	and	CCONJ
admet-1879	103	5	better	well	ADJ
admet-1879	103	6	coverage	coverage	NOUN
admet-1879	103	7	of	of	ADP
admet-1879	103	8	the	the	DET
admet-1879	103	9	clustered	clustered	ADJ
admet-1879	103	10	[	[	X
admet-1879	103	11	36	36	NUM
admet-1879	103	12	]	]	X
admet-1879	103	13	chemical	chemical	ADJ
admet-1879	103	14	space	space	NOUN
admet-1879	103	15	of	of	ADP
admet-1879	103	16	drugs	drug	NOUN
admet-1879	103	17	were	be	AUX
admet-1879	103	18	called	call	VERB
admet-1879	103	19	for	for	ADP
admet-1879	103	20	.	.	PUNCT
admet-1879	104	1	the	the	DET
admet-1879	104	2	principal	principal	ADJ
admet-1879	104	3	component	component	NOUN
admet-1879	104	4	analysis	analysis	NOUN
admet-1879	104	5	(	(	PUNCT
admet-1879	104	6	pca	pca	NOUN
admet-1879	104	7	)	)	PUNCT
admet-1879	104	8	based	base	VERB
admet-1879	104	9	on	on	ADP
admet-1879	104	10	the	the	DET
admet-1879	104	11	30	30	NUM
admet-1879	104	12	-	-	PUNCT
admet-1879	104	13	most	most	ADV
admet-1879	104	14	important	important	ADJ
admet-1879	104	15	descriptors	descriptor	NOUN
admet-1879	104	16	identified	identify	VERB
admet-1879	104	17	in	in	ADP
admet-1879	104	18	rfr	rfr	PROPN
admet-1879	104	19	yielded	yield	VERB
admet-1879	104	20	a	a	DET
admet-1879	104	21	scores	score	NOUN
admet-1879	104	22	plot	plot	NOUN
admet-1879	104	23	of	of	ADP
admet-1879	104	24	the	the	DET
admet-1879	104	25	first	first	ADJ
admet-1879	104	26	two	two	NUM
admet-1879	104	27	principal	principal	ADJ
admet-1879	104	28	components	component	NOUN
admet-1879	104	29	for	for	ADP
admet-1879	104	30	the	the	DET
admet-1879	104	31	training	training	NOUN
admet-1879	104	32	set	set	VERB
admet-1879	104	33	solubility	solubility	NOUN
admet-1879	104	34	,	,	PUNCT
admet-1879	104	35	showing	show	VERB
admet-1879	104	36	a	a	DET
admet-1879	104	37	very	very	ADV
admet-1879	104	38	dense	dense	ADJ
admet-1879	104	39	symmetrical	symmetrical	ADJ
admet-1879	104	40	distribution	distribution	NOUN
admet-1879	104	41	about	about	ADP
admet-1879	104	42	the	the	DET
admet-1879	104	43	origin	origin	NOUN
admet-1879	104	44	for	for	ADP
admet-1879	104	45	molecules	molecule	NOUN
admet-1879	104	46	with	with	ADP
admet-1879	104	47	molecular	molecular	ADJ
admet-1879	104	48	weights	weight	NOUN
admet-1879	104	49	(	(	PUNCT
admet-1879	104	50	mw<500	mw<500	NOUN
admet-1879	104	51	da	da	PROPN
admet-1879	104	52	)	)	PUNCT
admet-1879	104	53	.	.	PUNCT
admet-1879	105	1	large	large	ADJ
admet-1879	105	2	molecules	molecule	NOUN
admet-1879	105	3	(	(	PUNCT
admet-1879	105	4	mw>800	mw>800	NUM
admet-1879	105	5	da	da	NOUN
admet-1879	105	6	)	)	PUNCT
admet-1879	105	7	were	be	AUX
admet-1879	105	8	sparsely	sparsely	ADV
admet-1879	105	9	(	(	PUNCT
admet-1879	105	10	but	but	CCONJ
admet-1879	105	11	near	near	ADP
admet-1879	105	12	diagonally	diagonally	ADV
admet-1879	105	13	)	)	PUNCT
admet-1879	105	14	represented	represent	VERB
admet-1879	105	15	in	in	ADP
admet-1879	105	16	the	the	DET
admet-1879	105	17	bottom	bottom	ADJ
admet-1879	105	18	-	-	PUNCT
admet-1879	105	19	right	right	NOUN
admet-1879	105	20	quadrant	quadrant	NOUN
admet-1879	105	21	,	,	PUNCT
admet-1879	105	22	giving	give	VERB
admet-1879	105	23	the	the	DET
admet-1879	105	24	overall	overall	ADJ
admet-1879	105	25	distribution	distribution	NOUN
admet-1879	105	26	a	a	DET
admet-1879	105	27	‘	'	PUNCT
admet-1879	105	28	comet	comet	NOUN
admet-1879	105	29	-	-	PUNCT
admet-1879	105	30	like	like	ADJ
admet-1879	105	31	’	'	PUNCT
admet-1879	105	32	head	head	NOUN
admet-1879	105	33	-	-	PUNCT
admet-1879	105	34	tail	tail	NOUN
admet-1879	105	35	appearance	appearance	NOUN
admet-1879	105	36	[	[	X
admet-1879	105	37	16	16	NUM
admet-1879	105	38	]	]	PUNCT
admet-1879	105	39	.	.	PUNCT
admet-1879	106	1	small	small	ADJ
admet-1879	106	2	molecules	molecule	NOUN
admet-1879	106	3	in	in	ADP
admet-1879	106	4	the	the	DET
admet-1879	106	5	lipinski	lipinski	PROPN
admet-1879	106	6	[	[	X
admet-1879	106	7	36	36	NUM
admet-1879	106	8	]	]	PUNCT
admet-1879	106	9	rule	rule	NOUN
admet-1879	106	10	of	of	ADP
admet-1879	106	11	5	5	NUM
admet-1879	106	12	(	(	PUNCT
admet-1879	106	13	ro5	ro5	ADJ
admet-1879	106	14	)	)	PUNCT
admet-1879	106	15	chemical	chemical	NOUN
admet-1879	106	16	space	space	NOUN
admet-1879	106	17	,	,	PUNCT
admet-1879	106	18	populating	populate	VERB
admet-1879	106	19	the	the	DET
admet-1879	106	20	‘	'	PUNCT
admet-1879	106	21	head	head	NOUN
admet-1879	106	22	,	,	PUNCT
admet-1879	106	23	’	'	PUNCT
admet-1879	106	24	thus	thus	ADV
admet-1879	106	25	appeared	appear	VERB
admet-1879	106	26	to	to	PART
admet-1879	106	27	have	have	VERB
admet-1879	106	28	very	very	ADV
admet-1879	106	29	different	different	ADJ
admet-1879	106	30	distributions	distribution	NOUN
admet-1879	106	31	than	than	ADP
admet-1879	106	32	those	those	PRON
admet-1879	106	33	beyond	beyond	ADP
admet-1879	106	34	the	the	DET
admet-1879	106	35	ro5	ro5	ADJ
admet-1879	106	36	(	(	PUNCT
admet-1879	106	37	bro5	bro5	NOUN
admet-1879	106	38	)	)	PUNCT
admet-1879	106	39	space	space	NOUN
admet-1879	106	40	in	in	ADP
admet-1879	106	41	the	the	DET
admet-1879	106	42	‘	'	PUNCT
admet-1879	106	43	tail	tail	NOUN
admet-1879	106	44	.	.	PUNCT
admet-1879	106	45	’	'	PUNCT
admet-1879	107	1	small	small	ADJ
admet-1879	107	2	ro5	ro5	ADJ
admet-1879	107	3	molecules	molecule	NOUN
admet-1879	107	4	can	can	AUX
admet-1879	107	5	predict	predict	VERB
admet-1879	107	6	the	the	DET
admet-1879	107	7	solubility	solubility	NOUN
admet-1879	107	8	of	of	ADP
admet-1879	107	9	large	large	ADJ
admet-1879	107	10	bro5	bro5	NOUN
admet-1879	107	11	molecules	molecule	NOUN
admet-1879	107	12	,	,	PUNCT
admet-1879	107	13	using	use	VERB
admet-1879	107	14	the	the	DET
admet-1879	107	15	rfr	rfr	PROPN
admet-1879	107	16	method	method	NOUN
admet-1879	107	17	in	in	ADP
admet-1879	107	18	our	our	PRON
admet-1879	107	19	second	second	ADJ
admet-1879	107	20	study	study	NOUN
admet-1879	107	21	[	[	X
admet-1879	107	22	17	17	NUM
admet-1879	107	23	]	]	PUNCT
admet-1879	107	24	,	,	PUNCT
admet-1879	107	25	the	the	DET
admet-1879	107	26	above	above	ADJ
admet-1879	107	27	‘	'	PUNCT
admet-1879	107	28	comet	comet	NOUN
admet-1879	107	29	-	-	PUNCT
admet-1879	107	30	like	like	ADJ
admet-1879	107	31	’	'	PUNCT
admet-1879	107	32	pca	pca	NOUN
admet-1879	107	33	distribution	distribution	NOUN
admet-1879	107	34	enticed	entice	VERB
admet-1879	107	35	us	we	PRON
admet-1879	107	36	to	to	PART
admet-1879	107	37	explore	explore	VERB
admet-1879	107	38	whether	whether	SCONJ
admet-1879	107	39	small	small	ADJ
admet-1879	107	40	molecules	molecule	NOUN
admet-1879	107	41	(	(	PUNCT
admet-1879	107	42	ro5	ro5	ADJ
admet-1879	107	43	space	space	NOUN
admet-1879	107	44	)	)	PUNCT
admet-1879	107	45	in	in	ADP
admet-1879	107	46	a	a	DET
admet-1879	107	47	training	training	NOUN
admet-1879	107	48	set	set	NOUN
admet-1879	107	49	could	could	AUX
admet-1879	107	50	be	be	AUX
admet-1879	107	51	used	use	VERB
admet-1879	107	52	to	to	PART
admet-1879	107	53	predict	predict	VERB
admet-1879	107	54	the	the	DET
admet-1879	107	55	solubility	solubility	NOUN
admet-1879	107	56	of	of	ADP
admet-1879	107	57	large	large	ADJ
admet-1879	107	58	molecules	molecule	NOUN
admet-1879	107	59	(	(	PUNCT
admet-1879	107	60	bro5	bro5	NOUN
admet-1879	107	61	space	space	NOUN
admet-1879	107	62	)	)	PUNCT
admet-1879	107	63	,	,	PUNCT
admet-1879	107	64	although	although	SCONJ
admet-1879	107	65	at	at	ADP
admet-1879	107	66	first	first	ADV
admet-1879	107	67	,	,	PUNCT
admet-1879	107	68	we	we	PRON
admet-1879	107	69	were	be	AUX
admet-1879	107	70	not	not	PART
admet-1879	107	71	optimistic	optimistic	ADJ
admet-1879	107	72	of	of	ADP
admet-1879	107	73	a	a	DET
admet-1879	107	74	good	good	ADJ
admet-1879	107	75	outcome	outcome	NOUN
admet-1879	107	76	.	.	PUNCT
admet-1879	108	1	the	the	DET
admet-1879	108	2	molecules	molecule	NOUN
admet-1879	108	3	with	with	ADP
admet-1879	108	4	mw>800	mw>800	NUM
admet-1879	108	5	da	da	PROPN
admet-1879	108	6	were	be	AUX
admet-1879	108	7	selected	select	VERB
admet-1879	108	8	as	as	ADP
admet-1879	108	9	the	the	DET
admet-1879	108	10	test	test	NOUN
admet-1879	108	11	set	set	NOUN
admet-1879	108	12	,	,	PUNCT
admet-1879	108	13	with	with	ADP
admet-1879	108	14	the	the	DET
admet-1879	108	15	rest	rest	NOUN
admet-1879	108	16	of	of	ADP
admet-1879	108	17	the	the	DET
admet-1879	108	18	database	database	NOUN
admet-1879	108	19	molecules	molecule	NOUN
admet-1879	108	20	serving	serve	VERB
admet-1879	108	21	as	as	ADP
admet-1879	108	22	the	the	DET
admet-1879	108	23	training	training	NOUN
admet-1879	108	24	set	set	NOUN
admet-1879	108	25	.	.	PUNCT
admet-1879	109	1	•	•	NUM
admet-1879	109	2	test	test	NOUN
admet-1879	109	3	set	set	VERB
admet-1879	109	4	5	5	NUM
admet-1879	109	5	–	–	PUNCT
admet-1879	109	6	avdeef	avdeef	NOUN
admet-1879	109	7	-	-	PUNCT
admet-1879	109	8	kansy	kansy	NOUN
admet-1879	110	1	[	[	X
admet-1879	110	2	17	17	NUM
admet-1879	110	3	]	]	PUNCT
admet-1879	110	4	test	test	NOUN
admet-1879	110	5	set	set	NOUN
admet-1879	110	6	of	of	ADP
admet-1879	110	7	31	31	NUM
admet-1879	110	8	‘	'	PUNCT
admet-1879	110	9	big	big	ADJ
admet-1879	110	10	’	'	PUNCT
admet-1879	110	11	drug	drug	NOUN
admet-1879	110	12	-	-	PUNCT
admet-1879	110	13	like	like	ADJ
admet-1879	110	14	/	/	SYM
admet-1879	110	15	drug	drug	NOUN
admet-1879	110	16	molecules	molecule	NOUN
admet-1879	110	17	with	with	ADP
admet-1879	110	18	mw	mw	PROPN
admet-1879	110	19	802	802	NUM
admet-1879	110	20	1882	1882	NUM
admet-1879	110	21	da	da	NOUN
admet-1879	110	22	(	(	PUNCT
admet-1879	110	23	e.g.	e.g.	ADV
admet-1879	110	24	cyclosporine	cyclosporine	VERB
admet-1879	110	25	a	a	PRON
admet-1879	110	26	,	,	PUNCT
admet-1879	110	27	gramicidin	gramicidin	NOUN
admet-1879	110	28	a	a	DET
admet-1879	110	29	,	,	PUNCT
admet-1879	110	30	leuprolide	leuprolide	NOUN
admet-1879	110	31	,	,	PUNCT
admet-1879	110	32	nafarelin	nafarelin	NOUN
admet-1879	110	33	,	,	PUNCT
admet-1879	110	34	oxytocin	oxytocin	PROPN
admet-1879	110	35	,	,	PUNCT
admet-1879	110	36	vancomycin	vancomycin	PROPN
admet-1879	110	37	)	)	PUNCT
admet-1879	110	38	,	,	PUNCT
admet-1879	110	39	with	with	ADP
admet-1879	110	40	mean	mean	PROPN
admet-1879	110	41	log	log	NOUN
admet-1879	110	42	s0	s0	NOUN
admet-1879	110	43	=	=	PUNCT
admet-1879	111	1	-4.52	-4.52	ADJ
admet-1879	111	2	.	.	PUNCT
admet-1879	112	1	it	it	PRON
admet-1879	112	2	was	be	AUX
admet-1879	112	3	found	find	VERB
admet-1879	112	4	the	the	DET
admet-1879	112	5	rfr	rfr	PROPN
admet-1879	112	6	method	method	NOUN
admet-1879	112	7	spectacularly	spectacularly	ADV
admet-1879	112	8	distinguished	distinguish	VERB
admet-1879	112	9	itself	itself	PRON
admet-1879	112	10	from	from	ADP
admet-1879	112	11	the	the	DET
admet-1879	112	12	simpler	simple	ADJ
admet-1879	112	13	gse	gse	ADJ
admet-1879	112	14	and	and	CCONJ
admet-1879	112	15	absolv	absolv	ADJ
admet-1879	112	16	models	model	NOUN
admet-1879	112	17	:	:	PUNCT
admet-1879	112	18	r2	r2	PROPN
admet-1879	112	19	=	=	PUNCT
admet-1879	112	20	(	(	PUNCT
admet-1879	112	21	0.37	0.37	NUM
admet-1879	112	22	,	,	PUNCT
admet-1879	112	23	-5.24	-5.24	NOUN
admet-1879	112	24	,	,	PUNCT
admet-1879	112	25	-3.82	-3.82	NOUN
admet-1879	112	26	)	)	PUNCT
admet-1879	112	27	,	,	PUNCT
admet-1879	112	28	rmse	rmse	NOUN
admet-1879	113	1	=	=	SYM
admet-1879	114	1	(	(	PUNCT
admet-1879	114	2	1.07	1.07	NUM
admet-1879	114	3	,	,	PUNCT
admet-1879	114	4	3.36	3.36	NUM
admet-1879	114	5	,	,	PUNCT
admet-1879	114	6	2.95	2.95	NUM
admet-1879	114	7	)	)	PUNCT
admet-1879	114	8	,	,	PUNCT
admet-1879	114	9	mpp	mpp	NOUN
admet-1879	114	10	=	=	PUNCT
admet-1879	114	11	(	(	PUNCT
admet-1879	114	12	42	42	NUM
admet-1879	114	13	,	,	PUNCT
admet-1879	114	14	10	10	NUM
admet-1879	114	15	and	and	CCONJ
admet-1879	114	16	16	16	NUM
admet-1879	114	17	%	%	NOUN
admet-1879	114	18	)	)	PUNCT
admet-1879	114	19	,	,	PUNCT
admet-1879	114	20	bias	bias	NOUN
admet-1879	114	21	=	=	SYM
admet-1879	114	22	(	(	PUNCT
admet-1879	114	23	+0.30	+0.30	PROPN
admet-1879	114	24	,	,	PUNCT
admet-1879	114	25	+2.64	+2.64	PROPN
admet-1879	114	26	,	,	PUNCT
admet-1879	114	27	+0.16	+0.16	PROPN
admet-1879	114	28	)	)	PUNCT
admet-1879	114	29	,	,	PUNCT
admet-1879	114	30	for	for	ADP
admet-1879	114	31	rfr	rfr	PROPN
admet-1879	114	32	,	,	PUNCT
admet-1879	114	33	absolv	absolv	NOUN
admet-1879	114	34	and	and	CCONJ
admet-1879	114	35	gse	gse	PROPN
admet-1879	114	36	,	,	PUNCT
admet-1879	114	37	respectively	respectively	ADV
admet-1879	114	38	.	.	PUNCT
admet-1879	115	1	in	in	ADP
admet-1879	115	2	probing	probe	VERB
admet-1879	115	3	this	this	PRON
admet-1879	115	4	further	far	ADV
admet-1879	115	5	,	,	PUNCT
admet-1879	115	6	the	the	DET
admet-1879	115	7	first	first	ADJ
admet-1879	115	8	two	two	NUM
admet-1879	115	9	normally	normally	ADV
admet-1879	115	10	-	-	PUNCT
admet-1879	115	11	fixed	fix	VERB
admet-1879	115	12	parameters	parameter	NOUN
admet-1879	115	13	in	in	ADP
admet-1879	115	14	the	the	DET
admet-1879	115	15	gse(classic	gse(classic	NOUN
admet-1879	115	16	)	)	PUNCT
admet-1879	115	17	model	model	NOUN
admet-1879	115	18	(	(	PUNCT
admet-1879	115	19	+0.5	+0.5	NUM
admet-1879	115	20	and	and	CCONJ
admet-1879	115	21	-1.0	-1.0	PROPN
admet-1879	115	22	)	)	PUNCT
admet-1879	115	23	were	be	AUX
admet-1879	115	24	‘	'	PUNCT
admet-1879	115	25	re	re	ADJ
admet-1879	115	26	-	-	VERB
admet-1879	115	27	trained	train	VERB
admet-1879	115	28	’	'	PUNCT
admet-1879	115	29	,	,	PUNCT
admet-1879	115	30	to	to	PART
admet-1879	115	31	yield	yield	VERB
admet-1879	115	32	log	log	NOUN
admet-1879	115	33	s0	s0	PROPN
admet-1879	115	34	gse	gse	PROPN
admet-1879	115	35	small	small	ADJ
admet-1879	115	36	=	=	SYM
admet-1879	115	37	-0.28	-0.28	NOUN
admet-1879	115	38	-0.83	-0.83	CCONJ
admet-1879	115	39	clogp	clogp	ADJ
admet-1879	115	40	-0.01·(mp	-0.01·(mp	X
admet-1879	115	41	25	25	NUM
admet-1879	115	42	)	)	PUNCT
admet-1879	115	43	.	.	PUNCT
admet-1879	116	1	the	the	DET
admet-1879	116	2	modified	modify	VERB
admet-1879	116	3	versions	version	NOUN
admet-1879	116	4	of	of	ADP
admet-1879	116	5	the	the	DET
admet-1879	116	6	yalkowsky	yalkowsky	NOUN
admet-1879	116	7	’s	’s	PART
admet-1879	116	8	equation	equation	NOUN
admet-1879	116	9	used	use	VERB
admet-1879	116	10	as	as	ADP
admet-1879	116	11	the	the	DET
admet-1879	116	12	training	training	NOUN
admet-1879	116	13	set	set	VERB
admet-1879	116	14	produced	produce	VERB
admet-1879	116	15	metrics	metric	NOUN
admet-1879	116	16	comparable	comparable	ADJ
admet-1879	116	17	to	to	ADP
admet-1879	116	18	those	those	PRON
admet-1879	116	19	of	of	ADP
admet-1879	116	20	the	the	DET
admet-1879	116	21	rfr	rfr	PROPN
admet-1879	116	22	method	method	NOUN
admet-1879	116	23	:	:	PUNCT
admet-1879	116	24	r2	r2	PROPN
admet-1879	116	25	=	=	SYM
admet-1879	116	26	0.33	0.33	NUM
admet-1879	116	27	,	,	PUNCT
admet-1879	116	28	rmse	rmse	NOUN
admet-1879	116	29	=	=	SYM
admet-1879	116	30	1.10	1.10	NUM
admet-1879	116	31	,	,	PUNCT
admet-1879	116	32	mpp	mpp	NOUN
admet-1879	116	33	=	=	SYM
admet-1879	116	34	30	30	NUM
admet-1879	116	35	%	%	NOUN
admet-1879	116	36	,	,	PUNCT
admet-1879	116	37	and	and	CCONJ
admet-1879	116	38	bias	bias	NOUN
admet-1879	116	39	=	=	SYM
admet-1879	116	40	+0.04	+0.04	PROPN
admet-1879	116	41	.	.	PUNCT
admet-1879	117	1	a	a	DET
admet-1879	117	2	similar	similar	ADJ
admet-1879	117	3	treatment	treatment	NOUN
admet-1879	117	4	for	for	ADP
admet-1879	117	5	the	the	DET
admet-1879	117	6	large	large	ADJ
admet-1879	117	7	molecules	molecule	NOUN
admet-1879	117	8	yielded	yield	VERB
admet-1879	117	9	log	log	NOUN
admet-1879	117	10	s0	s0	PROPN
admet-1879	117	11	gse	gse	PROPN
admet-1879	117	12	big	big	PROPN
admet-1879	117	13	=	=	SYM
admet-1879	117	14	-1.77	-1.77	ADJ
admet-1879	117	15	-0.40	-0.40	NUM
admet-1879	117	16	clogp	clogp	ADJ
admet-1879	117	17	-0.01·(mp	-0.01·(mp	X
admet-1879	117	18	25	25	NUM
admet-1879	117	19	)	)	PUNCT
admet-1879	117	20	.	.	PUNCT
admet-1879	118	1	these	these	DET
admet-1879	118	2	modifications	modification	NOUN
admet-1879	118	3	showed	show	VERB
admet-1879	118	4	that	that	SCONJ
admet-1879	118	5	c0	c0	NOUN
admet-1879	118	6	and	and	CCONJ
admet-1879	118	7	c1	c1	PROPN
admet-1879	118	8	could	could	AUX
admet-1879	118	9	be	be	AUX
admet-1879	118	10	variable	variable	ADJ
admet-1879	118	11	coefficients	coefficient	NOUN
admet-1879	118	12	,	,	PUNCT
admet-1879	118	13	rather	rather	ADV
admet-1879	118	14	than	than	ADP
admet-1879	118	15	constants	constant	NOUN
admet-1879	118	16	.	.	PUNCT
admet-1879	119	1	it	it	PRON
admet-1879	119	2	was	be	AUX
admet-1879	119	3	this	this	DET
admet-1879	119	4	observation	observation	NOUN
admet-1879	119	5	that	that	PRON
admet-1879	119	6	pointed	point	VERB
admet-1879	119	7	the	the	DET
admet-1879	119	8	way	way	NOUN
admet-1879	119	9	to	to	ADP
admet-1879	119	10	the	the	DET
admet-1879	119	11	development	development	NOUN
admet-1879	119	12	of	of	ADP
admet-1879	119	13	the	the	DET
admet-1879	119	14	flexible	flexible	ADJ
admet-1879	119	15	-	-	PUNCT
admet-1879	119	16	acceptor	acceptor	NOUN
admet-1879	119	17	model	model	NOUN
admet-1879	119	18	,	,	PUNCT
admet-1879	119	19	gse(φ	gse(φ	PROPN
admet-1879	119	20	,	,	PUNCT
admet-1879	119	21	b	b	NOUN
admet-1879	119	22	)	)	PUNCT
admet-1879	119	23	,	,	PUNCT
admet-1879	119	24	which	which	PRON
admet-1879	119	25	turned	turn	VERB
admet-1879	119	26	out	out	ADP
admet-1879	119	27	to	to	PART
admet-1879	119	28	be	be	AUX
admet-1879	119	29	quite	quite	DET
admet-1879	119	30	an	an	DET
admet-1879	119	31	improvement	improvement	NOUN
admet-1879	119	32	over	over	ADP
admet-1879	119	33	the	the	DET
admet-1879	119	34	classic	classic	ADJ
admet-1879	119	35	equation	equation	NOUN
admet-1879	119	36	,	,	PUNCT
admet-1879	119	37	providing	provide	VERB
admet-1879	119	38	realistic	realistic	ADJ
admet-1879	119	39	coverage	coverage	NOUN
admet-1879	119	40	of	of	ADP
admet-1879	119	41	the	the	DET
admet-1879	119	42	chemical	chemical	NOUN
admet-1879	119	43	space	space	NOUN
admet-1879	119	44	of	of	ADP
admet-1879	119	45	drugs	drug	NOUN
admet-1879	119	46	up	up	ADP
admet-1879	119	47	to	to	PART
admet-1879	119	48	mw	mw	VERB
admet-1879	119	49	of	of	ADP
admet-1879	119	50	about	about	ADV
admet-1879	119	51	2000	2000	NUM
admet-1879	119	52	da	da	X
admet-1879	119	53	.	.	PUNCT
admet-1879	119	54	flexible	flexible	ADJ
admet-1879	119	55	-	-	PUNCT
admet-1879	119	56	acceptor	acceptor	NOUN
admet-1879	119	57	gse(φ	gse(φ	PROPN
admet-1879	119	58	,	,	PUNCT
admet-1879	119	59	b	b	NOUN
admet-1879	119	60	)	)	PUNCT
admet-1879	119	61	for	for	ADP
admet-1879	119	62	predicting	predict	VERB
admet-1879	119	63	the	the	DET
admet-1879	119	64	solubility	solubility	NOUN
admet-1879	119	65	of	of	ADP
admet-1879	119	66	large	large	ADJ
admet-1879	119	67	molecules	molecule	NOUN
admet-1879	119	68	when	when	SCONJ
admet-1879	119	69	it	it	PRON
admet-1879	119	70	became	become	VERB
admet-1879	119	71	evident	evident	ADJ
admet-1879	119	72	that	that	SCONJ
admet-1879	119	73	the	the	DET
admet-1879	119	74	gse	gse	PROPN
admet-1879	119	75	might	might	AUX
admet-1879	119	76	be	be	AUX
admet-1879	119	77	beneficially	beneficially	ADV
admet-1879	119	78	re	re	VERB
admet-1879	119	79	-	-	VERB
admet-1879	119	80	trained	train	VERB
admet-1879	119	81	to	to	PART
admet-1879	119	82	predict	predict	VERB
admet-1879	119	83	a	a	DET
admet-1879	119	84	broader	broad	ADJ
admet-1879	119	85	class	class	NOUN
admet-1879	119	86	of	of	ADP
admet-1879	119	87	compounds	compound	NOUN
admet-1879	119	88	,	,	PUNCT
admet-1879	119	89	especially	especially	ADV
admet-1879	119	90	large	large	ADJ
admet-1879	119	91	drug	drug	NOUN
admet-1879	119	92	-	-	PUNCT
admet-1879	119	93	like	like	ADJ
admet-1879	119	94	molecules	molecule	NOUN
admet-1879	119	95	,	,	PUNCT
admet-1879	119	96	a	a	DET
admet-1879	119	97	search	search	NOUN
admet-1879	119	98	was	be	AUX
admet-1879	119	99	made	make	VERB
admet-1879	119	100	for	for	ADP
admet-1879	119	101	analytical	analytical	ADJ
admet-1879	119	102	functions	function	NOUN
admet-1879	119	103	which	which	PRON
admet-1879	119	104	could	could	AUX
admet-1879	119	105	represent	represent	VERB
admet-1879	119	106	the	the	DET
admet-1879	119	107	three	three	NUM
admet-1879	119	108	traditional	traditional	ADJ
admet-1879	119	109	constants	constant	NOUN
admet-1879	119	110	in	in	ADP
admet-1879	119	111	terms	term	NOUN
admet-1879	119	112	of	of	ADP
admet-1879	119	113	meaningful	meaningful	ADJ
admet-1879	119	114	property	property	NOUN
admet-1879	119	115	descriptors	descriptor	NOUN
admet-1879	119	116	,	,	PUNCT
admet-1879	119	117	guided	guide	VERB
admet-1879	119	118	by	by	ADP
admet-1879	119	119	the	the	DET
admet-1879	119	120	pca	pca	NOUN
admet-1879	119	121	distribution	distribution	NOUN
admet-1879	119	122	mentioned	mention	VERB
admet-1879	119	123	above	above	ADP
admet-1879	119	124	[	[	X
admet-1879	119	125	16	16	NUM
admet-1879	119	126	]	]	PUNCT
admet-1879	119	127	.	.	PUNCT
admet-1879	120	1	the	the	DET
admet-1879	120	2	novel	novel	ADJ
admet-1879	120	3	flexible	flexible	ADJ
admet-1879	120	4	-	-	PUNCT
admet-1879	120	5	acceptor	acceptor	NOUN
admet-1879	120	6	model	model	NOUN
admet-1879	120	7	(	(	PUNCT
admet-1879	120	8	cf	cf	NOUN
admet-1879	120	9	.	.	PUNCT
admet-1879	121	1	eq	eq	ADJ
admet-1879	121	2	.	.	PUNCT
admet-1879	122	1	(	(	PUNCT
admet-1879	122	2	3	3	NUM
admet-1879	122	3	)	)	PUNCT
admet-1879	122	4	)	)	PUNCT
admet-1879	122	5	,	,	PUNCT
admet-1879	122	6	gse(φ	gse(φ	PROPN
admet-1879	122	7	,	,	PUNCT
admet-1879	122	8	b	b	NOUN
admet-1879	122	9	)	)	PUNCT
admet-1879	122	10	,	,	PUNCT
admet-1879	122	11	was	be	AUX
admet-1879	122	12	the	the	DET
admet-1879	122	13	outcome	outcome	NOUN
admet-1879	122	14	of	of	ADP
admet-1879	122	15	the	the	DET
admet-1879	122	16	effort	effort	NOUN
admet-1879	122	17	[	[	X
admet-1879	122	18	18	18	NUM
admet-1879	122	19	]	]	PUNCT
admet-1879	122	20	.	.	PUNCT
admet-1879	123	1	as	as	SCONJ
admet-1879	123	2	the	the	DET
admet-1879	123	3	last	last	ADJ
admet-1879	123	4	section	section	NOUN
admet-1879	123	5	indicated	indicate	VERB
admet-1879	123	6	,	,	PUNCT
admet-1879	123	7	it	it	PRON
admet-1879	123	8	had	have	AUX
admet-1879	123	9	been	be	AUX
admet-1879	123	10	a	a	DET
admet-1879	123	11	challenge	challenge	NOUN
admet-1879	123	12	to	to	PART
admet-1879	123	13	predict	predict	VERB
admet-1879	123	14	solubility	solubility	NOUN
admet-1879	123	15	of	of	ADP
admet-1879	123	16	large	large	ADJ
admet-1879	123	17	molecules	molecule	NOUN
admet-1879	123	18	using	use	VERB
admet-1879	123	19	simple	simple	ADJ
admet-1879	123	20	but	but	CCONJ
admet-1879	123	21	easily	easily	ADV
admet-1879	123	22	transparent	transparent	ADJ
admet-1879	123	23	and	and	CCONJ
admet-1879	123	24	interpretable	interpretable	ADJ
admet-1879	123	25	models	model	NOUN
admet-1879	123	26	such	such	ADJ
admet-1879	123	27	as	as	ADP
admet-1879	123	28	gse	gse	PROPN
admet-1879	123	29	and	and	CCONJ
admet-1879	123	30	absolv	absolv	ADJ
admet-1879	123	31	(	(	PUNCT
admet-1879	123	32	as	as	SCONJ
admet-1879	123	33	indicated	indicate	VERB
admet-1879	123	34	by	by	ADP
admet-1879	123	35	r2	r2	PROPN
admet-1879	123	36	<	<	X
admet-1879	123	37	0	0	PUNCT
admet-1879	124	1	and	and	CCONJ
admet-1879	124	2	rmse	rmse	ADJ
admet-1879	124	3	≥	≥	NOUN
admet-1879	124	4	3	3	NUM
admet-1879	124	5	)	)	PUNCT
admet-1879	124	6	.	.	PUNCT
admet-1879	125	1	rfr	rfr	PROPN
admet-1879	125	2	showed	show	VERB
admet-1879	125	3	promise	promise	NOUN
admet-1879	125	4	,	,	PUNCT
admet-1879	125	5	but	but	CCONJ
admet-1879	125	6	this	this	DET
admet-1879	125	7	ml	ml	NOUN
admet-1879	125	8	method	method	NOUN
admet-1879	125	9	can	can	AUX
admet-1879	125	10	be	be	AUX
admet-1879	125	11	opaque	opaque	ADJ
admet-1879	125	12	,	,	PUNCT
admet-1879	125	13	given	give	VERB
admet-1879	125	14	that	that	SCONJ
admet-1879	125	15	over	over	ADP
admet-1879	125	16	200	200	NUM
admet-1879	125	17	calculated	calculate	VERB
admet-1879	125	18	descriptors	descriptor	NOUN
admet-1879	125	19	are	be	AUX
admet-1879	125	20	often	often	ADV
admet-1879	125	21	used	use	VERB
admet-1879	125	22	admet	admet	PROPN
admet-1879	125	23	&	&	CCONJ
admet-1879	125	24	dmpk	dmpk	PROPN
admet-1879	125	25	11(3	11(3	NUM
admet-1879	125	26	)	)	PUNCT
admet-1879	125	27	(	(	PUNCT
admet-1879	125	28	2023	2023	NUM
admet-1879	125	29	)	)	PUNCT
admet-1879	125	30	317	317	NUM
admet-1879	125	31	-	-	SYM
admet-1879	125	32	330	330	NUM
admet-1879	125	33	mechanistically	mechanistically	ADV
admet-1879	125	34	transparent	transparent	ADJ
admet-1879	125	35	models	model	NOUN
admet-1879	125	36	for	for	ADP
admet-1879	125	37	predicting	predict	VERB
admet-1879	125	38	aqueous	aqueous	ADJ
admet-1879	125	39	solubility	solubility	NOUN
admet-1879	125	40	doi	doi	NOUN
admet-1879	125	41	:	:	PUNCT
admet-1879	125	42	https://doi.org/10.5599/admet.1879	https://doi.org/10.5599/admet.1879	NOUN
admet-1879	125	43	321	321	NUM
admet-1879	125	44	in	in	ADP
admet-1879	125	45	the	the	DET
admet-1879	125	46	random	random	ADJ
admet-1879	125	47	mixing	mixing	NOUN
admet-1879	125	48	of	of	ADP
admet-1879	125	49	portions	portion	NOUN
admet-1879	125	50	of	of	ADP
admet-1879	125	51	the	the	DET
admet-1879	125	52	learning	learning	NOUN
admet-1879	125	53	set	set	VERB
admet-1879	125	54	with	with	ADP
admet-1879	125	55	randomly	randomly	ADV
admet-1879	125	56	-	-	PUNCT
admet-1879	125	57	selected	select	VERB
admet-1879	125	58	subsets	subset	NOUN
admet-1879	125	59	of	of	ADP
admet-1879	125	60	descriptors	descriptor	NOUN
admet-1879	125	61	.	.	PUNCT
admet-1879	126	1	nevertheless	nevertheless	ADV
admet-1879	126	2	,	,	PUNCT
admet-1879	126	3	there	there	PRON
admet-1879	126	4	are	be	VERB
admet-1879	126	5	good	good	ADJ
admet-1879	126	6	reasons	reason	NOUN
admet-1879	126	7	to	to	PART
admet-1879	126	8	attempt	attempt	VERB
admet-1879	126	9	the	the	DET
admet-1879	126	10	prediction	prediction	NOUN
admet-1879	126	11	of	of	ADP
admet-1879	126	12	the	the	DET
admet-1879	126	13	solubility	solubility	NOUN
admet-1879	126	14	of	of	ADP
admet-1879	126	15	large	large	ADJ
admet-1879	126	16	molecules	molecule	NOUN
admet-1879	126	17	.	.	PUNCT
admet-1879	127	1	many	many	ADJ
admet-1879	127	2	drugs	drug	NOUN
admet-1879	127	3	(	(	PUNCT
admet-1879	127	4	mostly	mostly	ADV
admet-1879	127	5	derived	derive	VERB
admet-1879	127	6	from	from	ADP
admet-1879	127	7	natural	natural	ADJ
admet-1879	127	8	products	product	NOUN
admet-1879	127	9	)	)	PUNCT
admet-1879	127	10	in	in	ADP
admet-1879	127	11	immunosuppression	immunosuppression	NOUN
admet-1879	127	12	,	,	PUNCT
admet-1879	127	13	oncology	oncology	NOUN
admet-1879	127	14	,	,	PUNCT
admet-1879	127	15	and	and	CCONJ
admet-1879	127	16	for	for	ADP
admet-1879	127	17	the	the	DET
admet-1879	127	18	treatment	treatment	NOUN
admet-1879	127	19	of	of	ADP
admet-1879	127	20	infectious	infectious	ADJ
admet-1879	127	21	/	/	SYM
admet-1879	127	22	viral	viral	ADJ
admet-1879	127	23	diseases	disease	NOUN
admet-1879	127	24	are	be	AUX
admet-1879	127	25	large	large	ADJ
admet-1879	127	26	,	,	PUNCT
admet-1879	127	27	lipophilic	lipophilic	ADJ
admet-1879	127	28	,	,	PUNCT
admet-1879	127	29	and	and	CCONJ
admet-1879	127	30	possess	possess	VERB
admet-1879	127	31	many	many	ADJ
admet-1879	127	32	h	h	NOUN
admet-1879	127	33	-	-	PUNCT
admet-1879	127	34	bond	bond	NOUN
admet-1879	127	35	acceptors	acceptor	NOUN
admet-1879	127	36	.	.	PUNCT
admet-1879	128	1	literature	literature	NOUN
admet-1879	128	2	discussions	discussion	NOUN
admet-1879	128	3	highlight	highlight	VERB
admet-1879	128	4	the	the	DET
admet-1879	128	5	promise	promise	NOUN
admet-1879	128	6	of	of	ADP
admet-1879	128	7	therapeutic	therapeutic	ADJ
admet-1879	128	8	opportunities	opportunity	NOUN
admet-1879	128	9	for	for	ADP
admet-1879	128	10	‘	'	PUNCT
admet-1879	128	11	beyond	beyond	ADP
admet-1879	128	12	the	the	DET
admet-1879	128	13	rule	rule	NOUN
admet-1879	128	14	of	of	ADP
admet-1879	128	15	5	5	NUM
admet-1879	128	16	’	'	PUNCT
admet-1879	128	17	(	(	PUNCT
admet-1879	128	18	bro5	bro5	NOUN
admet-1879	128	19	)	)	PUNCT
admet-1879	128	20	molecules	molecule	NOUN
admet-1879	129	1	[	[	PUNCT
admet-1879	129	2	37	37	NUM
admet-1879	129	3	-	-	SYM
admet-1879	129	4	44	44	NUM
admet-1879	129	5	]	]	PUNCT
admet-1879	129	6	.	.	PUNCT
admet-1879	130	1	caron	caron	PROPN
admet-1879	130	2	and	and	CCONJ
admet-1879	130	3	colleagues	colleague	NOUN
admet-1879	130	4	[	[	X
admet-1879	130	5	42	42	NUM
admet-1879	130	6	-	-	SYM
admet-1879	130	7	44	44	NUM
admet-1879	130	8	]	]	PUNCT
admet-1879	130	9	have	have	AUX
admet-1879	130	10	paved	pave	VERB
admet-1879	130	11	the	the	DET
admet-1879	130	12	way	way	NOUN
admet-1879	130	13	for	for	ADP
admet-1879	130	14	recognizing	recognize	VERB
admet-1879	130	15	the	the	DET
admet-1879	130	16	importance	importance	NOUN
admet-1879	130	17	of	of	ADP
admet-1879	130	18	kier	kier	PROPN
admet-1879	130	19	’s	’s	PART
admet-1879	130	20	molecular	molecular	ADJ
admet-1879	130	21	flexibility	flexibility	NOUN
admet-1879	130	22	index	index	NOUN
admet-1879	130	23	,	,	PUNCT
admet-1879	130	24	φ	φ	PROPN
admet-1879	130	25	,	,	PUNCT
admet-1879	130	26	in	in	ADP
admet-1879	130	27	predicting	predict	VERB
admet-1879	130	28	the	the	DET
admet-1879	130	29	physical	physical	ADJ
admet-1879	130	30	properties	property	NOUN
admet-1879	130	31	of	of	ADP
admet-1879	130	32	bro5	bro5	NOUN
admet-1879	130	33	molecules	molecule	NOUN
admet-1879	130	34	.	.	PUNCT
admet-1879	131	1	flexible	flexible	ADJ
admet-1879	131	2	molecules	molecule	NOUN
admet-1879	131	3	with	with	ADP
admet-1879	131	4	the	the	DET
admet-1879	131	5	potential	potential	NOUN
admet-1879	131	6	to	to	PART
admet-1879	131	7	form	form	VERB
admet-1879	131	8	intramolecular	intramolecular	ADJ
admet-1879	131	9	h	h	NOUN
admet-1879	131	10	-	-	PUNCT
admet-1879	131	11	bonds	bond	NOUN
admet-1879	131	12	may	may	AUX
admet-1879	131	13	possess	possess	VERB
admet-1879	131	14	enhanced	enhanced	ADJ
admet-1879	131	15	solubility	solubility	NOUN
admet-1879	131	16	in	in	ADP
admet-1879	131	17	polar	polar	ADJ
admet-1879	131	18	media	medium	NOUN
admet-1879	131	19	(	(	PUNCT
admet-1879	131	20	i.e.	i.e.	X
admet-1879	131	21	water	water	NOUN
admet-1879	131	22	)	)	PUNCT
admet-1879	131	23	,	,	PUNCT
admet-1879	131	24	by	by	ADP
admet-1879	131	25	adopting	adopt	VERB
admet-1879	131	26	hydrophilic	hydrophilic	ADJ
admet-1879	131	27	‘	'	PUNCT
admet-1879	131	28	extended	extended	ADJ
admet-1879	131	29	’	'	PUNCT
admet-1879	131	30	conformations	conformation	NOUN
admet-1879	131	31	,	,	PUNCT
admet-1879	131	32	as	as	ADV
admet-1879	131	33	well	well	ADV
admet-1879	131	34	as	as	ADP
admet-1879	131	35	enhanced	enhance	VERB
admet-1879	131	36	permeability	permeability	NOUN
admet-1879	131	37	across	across	ADP
admet-1879	131	38	apolar	apolar	ADJ
admet-1879	131	39	cell	cell	NOUN
admet-1879	131	40	membranes	membrane	NOUN
admet-1879	131	41	,	,	PUNCT
admet-1879	131	42	by	by	ADP
admet-1879	131	43	adopting	adopt	VERB
admet-1879	131	44	hydrophobic	hydrophobic	NOUN
admet-1879	131	45	‘	'	PUNCT
admet-1879	131	46	folded	folded	ADJ
admet-1879	131	47	’	'	PUNCT
admet-1879	131	48	conformations	conformation	NOUN
admet-1879	131	49	[	[	PUNCT
admet-1879	131	50	37	37	NUM
admet-1879	131	51	-	-	SYM
admet-1879	131	52	44	44	NUM
admet-1879	131	53	]	]	PUNCT
admet-1879	131	54	.	.	PUNCT
admet-1879	132	1	given	give	VERB
admet-1879	132	2	that	that	SCONJ
admet-1879	132	3	large	large	ADJ
admet-1879	132	4	molecules	molecule	NOUN
admet-1879	132	5	may	may	AUX
admet-1879	132	6	pose	pose	VERB
admet-1879	132	7	pharmacokinetic	pharmacokinetic	ADJ
admet-1879	132	8	(	(	PUNCT
admet-1879	132	9	pk	pk	NOUN
admet-1879	132	10	)	)	PUNCT
admet-1879	132	11	risks	risk	NOUN
admet-1879	132	12	due	due	ADJ
admet-1879	132	13	to	to	ADP
admet-1879	132	14	low	low	ADJ
admet-1879	132	15	solubility	solubility	NOUN
admet-1879	132	16	,	,	PUNCT
admet-1879	132	17	the	the	DET
admet-1879	132	18	need	need	NOUN
admet-1879	132	19	for	for	ADP
admet-1879	132	20	caution	caution	NOUN
admet-1879	132	21	is	be	AUX
admet-1879	132	22	especially	especially	ADV
admet-1879	132	23	important	important	ADJ
admet-1879	132	24	.	.	PUNCT
admet-1879	133	1	so	so	ADV
admet-1879	133	2	,	,	PUNCT
admet-1879	133	3	reliable	reliable	ADJ
admet-1879	133	4	,	,	PUNCT
admet-1879	133	5	and	and	CCONJ
admet-1879	133	6	actionable	actionable	ADJ
admet-1879	133	7	in	in	ADP
admet-1879	133	8	silico	silico	NOUN
admet-1879	133	9	models	model	NOUN
admet-1879	133	10	to	to	PART
admet-1879	133	11	predict	predict	VERB
admet-1879	133	12	solubility	solubility	NOUN
admet-1879	133	13	before	before	SCONJ
admet-1879	133	14	such	such	ADJ
admet-1879	133	15	molecules	molecule	NOUN
admet-1879	133	16	are	be	AUX
admet-1879	133	17	prioritized	prioritize	VERB
admet-1879	133	18	for	for	ADP
admet-1879	133	19	synthesis	synthesis	NOUN
admet-1879	133	20	could	could	AUX
admet-1879	133	21	be	be	AUX
admet-1879	133	22	a	a	DET
admet-1879	133	23	valuable	valuable	ADJ
admet-1879	133	24	contribution	contribution	NOUN
admet-1879	133	25	in	in	ADP
admet-1879	133	26	pk	pk	NOUN
admet-1879	133	27	risk	risk	NOUN
admet-1879	133	28	assessment	assessment	NOUN
admet-1879	133	29	.	.	PUNCT
admet-1879	134	1	•	•	NUM
admet-1879	134	2	test	test	NOUN
admet-1879	134	3	set	set	VERB
admet-1879	134	4	6	6	NUM
admet-1879	134	5	–	–	PUNCT
admet-1879	134	6	avdeef	avdeef	NOUN
admet-1879	134	7	-	-	PUNCT
admet-1879	134	8	kansy	kansy	NOUN
admet-1879	135	1	[	[	X
admet-1879	135	2	18	18	NUM
admet-1879	135	3	]	]	PUNCT
admet-1879	135	4	–	–	PUNCT
admet-1879	135	5	one	one	NUM
admet-1879	135	6	additional	additional	ADJ
admet-1879	135	7	molecule	molecule	NOUN
admet-1879	135	8	was	be	AUX
admet-1879	135	9	added	add	VERB
admet-1879	135	10	to	to	PART
admet-1879	135	11	set	set	VERB
admet-1879	135	12	5	5	NUM
admet-1879	135	13	to	to	PART
admet-1879	135	14	comprise	comprise	VERB
admet-1879	135	15	test	test	NOUN
admet-1879	135	16	set	set	VERB
admet-1879	135	17	6	6	NUM
admet-1879	135	18	of	of	ADP
admet-1879	135	19	32	32	NUM
admet-1879	135	20	drugs	drug	NOUN
admet-1879	135	21	with	with	ADP
admet-1879	135	22	mw	mw	NUM
admet-1879	135	23	from	from	ADP
admet-1879	135	24	802	802	NUM
admet-1879	135	25	to	to	ADP
admet-1879	135	26	1882	1882	NUM
admet-1879	135	27	da	da	X
admet-1879	135	28	,	,	PUNCT
admet-1879	135	29	mwavg	mwavg	NOUN
admet-1879	135	30	=	=	SYM
admet-1879	135	31	1037	1037	NUM
admet-1879	135	32	da	da	X
admet-1879	135	33	.	.	PUNCT
admet-1879	136	1	average	average	ADJ
admet-1879	136	2	log	log	NOUN
admet-1879	136	3	s0	s0	NOUN
admet-1879	136	4	=	=	PUNCT
admet-1879	136	5	-4.61	-4.61	NOUN
admet-1879	136	6	(	(	PUNCT
admet-1879	136	7	range	range	NOUN
admet-1879	136	8	-1.2	-1.2	NOUN
admet-1879	136	9	to	to	ADP
admet-1879	136	10	-7.6	-7.6	NUM
admet-1879	136	11	)	)	PUNCT
admet-1879	136	12	;	;	PUNCT
admet-1879	136	13	clogpavg	clogpavg	NOUN
admet-1879	136	14	=	=	PROPN
admet-1879	136	15	3.3	3.3	NUM
admet-1879	136	16	(	(	PUNCT
admet-1879	136	17	-3.6	-3.6	X
admet-1879	136	18	to	to	ADP
admet-1879	136	19	+17.9	+17.9	PROPN
admet-1879	136	20	)	)	PUNCT
admet-1879	136	21	;	;	PUNCT
admet-1879	136	22	bavg	bavg	NOUN
admet-1879	136	23	=	=	SYM
admet-1879	136	24	5.8	5.8	NUM
admet-1879	136	25	(	(	PUNCT
admet-1879	136	26	1.9	1.9	NUM
admet-1879	136	27	11.6	11.6	NUM
admet-1879	136	28	)	)	PUNCT
admet-1879	136	29	;	;	PUNCT
admet-1879	136	30	φavg	φavg	NOUN
admet-1879	136	31	=	=	SYM
admet-1879	136	32	20	20	NUM
admet-1879	136	33	(	(	PUNCT
admet-1879	136	34	11	11	NUM
admet-1879	136	35	-	-	SYM
admet-1879	136	36	41	41	NUM
admet-1879	136	37	)	)	PUNCT
admet-1879	136	38	.	.	PUNCT
admet-1879	137	1	using	use	VERB
admet-1879	137	2	all	all	DET
admet-1879	137	3	the	the	DET
admet-1879	137	4	database	database	NOUN
admet-1879	137	5	molecules	molecule	NOUN
admet-1879	137	6	with	with	ADP
admet-1879	137	7	mw	mw	X
admet-1879	137	8	<	<	X
admet-1879	137	9	800	800	NUM
admet-1879	137	10	da	da	NOUN
admet-1879	137	11	as	as	ADP
admet-1879	137	12	the	the	DET
admet-1879	137	13	training	training	NOUN
admet-1879	137	14	set	set	NOUN
admet-1879	137	15	,	,	PUNCT
admet-1879	137	16	the	the	DET
admet-1879	137	17	gse(φ	gse(φ	PROPN
admet-1879	137	18	,	,	PUNCT
admet-1879	137	19	b	b	NOUN
admet-1879	137	20	)	)	PUNCT
admet-1879	137	21	prediction	prediction	NOUN
admet-1879	137	22	of	of	ADP
admet-1879	137	23	larger	large	ADJ
admet-1879	137	24	molecules	molecule	NOUN
admet-1879	137	25	yielded	yield	VERB
admet-1879	137	26	promising	promising	ADJ
admet-1879	137	27	statistics	statistic	NOUN
admet-1879	137	28	:	:	PUNCT
admet-1879	138	1	r2	r2	PROPN
admet-1879	138	2	=	=	SYM
admet-1879	138	3	0.40	0.40	NUM
admet-1879	138	4	,	,	PUNCT
admet-1879	138	5	rmse	rmse	NOUN
admet-1879	138	6	=	=	SYM
admet-1879	138	7	1.10	1.10	NUM
admet-1879	138	8	,	,	PUNCT
admet-1879	138	9	mpp	mpp	NOUN
admet-1879	138	10	=	=	SYM
admet-1879	138	11	41	41	NUM
admet-1879	138	12	%	%	NOUN
admet-1879	138	13	,	,	PUNCT
admet-1879	138	14	bias	bias	NOUN
admet-1879	138	15	=	=	SYM
admet-1879	138	16	-0.08	-0.08	X
admet-1879	138	17	.	.	PUNCT
admet-1879	139	1	by	by	ADP
admet-1879	139	2	contrast	contrast	NOUN
admet-1879	139	3	,	,	PUNCT
admet-1879	139	4	the	the	DET
admet-1879	139	5	traditional	traditional	ADJ
admet-1879	139	6	gse	gse	NOUN
admet-1879	139	7	generated	generate	VERB
admet-1879	139	8	r2	r2	PROPN
admet-1879	139	9	<	<	X
admet-1879	139	10	0	0	PROPN
admet-1879	139	11	,	,	PUNCT
admet-1879	139	12	rmse	rmse	NOUN
admet-1879	139	13	=	=	PROPN
admet-1879	139	14	3.0	3.0	NUM
admet-1879	139	15	,	,	PUNCT
admet-1879	139	16	and	and	CCONJ
admet-1879	139	17	mpp	mpp	NOUN
admet-1879	139	18	=	=	SYM
admet-1879	139	19	16	16	NUM
admet-1879	139	20	%	%	NOUN
admet-1879	139	21	.	.	PUNCT
admet-1879	140	1	rfr	rfr	PROPN
admet-1879	140	2	,	,	PUNCT
admet-1879	140	3	the	the	DET
admet-1879	140	4	‘	'	PUNCT
admet-1879	140	5	gold	gold	ADJ
admet-1879	140	6	standard	standard	NOUN
admet-1879	140	7	’	'	PUNCT
admet-1879	140	8	of	of	ADP
admet-1879	140	9	accuracy	accuracy	NOUN
admet-1879	140	10	in	in	ADP
admet-1879	140	11	the	the	DET
admet-1879	140	12	minds	mind	NOUN
admet-1879	140	13	of	of	ADP
admet-1879	140	14	some	some	DET
admet-1879	140	15	computational	computational	ADJ
admet-1879	140	16	chemists	chemist	NOUN
admet-1879	140	17	,	,	PUNCT
admet-1879	140	18	generated	generate	VERB
admet-1879	140	19	r2	r2	PROPN
admet-1879	140	20	=	=	PROPN
admet-1879	140	21	0.37	0.37	NUM
admet-1879	140	22	,	,	PUNCT
admet-1879	140	23	rmse	rmse	NOUN
admet-1879	140	24	=	=	NOUN
admet-1879	140	25	1.07	1.07	NUM
admet-1879	140	26	,	,	PUNCT
admet-1879	140	27	mpp	mpp	NOUN
admet-1879	140	28	=	=	SYM
admet-1879	140	29	38	38	NUM
admet-1879	140	30	%	%	NOUN
admet-1879	140	31	,	,	PUNCT
admet-1879	140	32	bias	bias	NOUN
admet-1879	140	33	=	=	SYM
admet-1879	140	34	+0.30	+0.30	PROPN
admet-1879	140	35	.	.	PUNCT
admet-1879	141	1	overall	overall	ADV
admet-1879	141	2	,	,	PUNCT
admet-1879	141	3	rfr	rfr	PROPN
admet-1879	141	4	and	and	CCONJ
admet-1879	141	5	gse(φ	gse(φ	PROPN
admet-1879	141	6	,	,	PUNCT
admet-1879	141	7	b	b	NOUN
admet-1879	141	8	)	)	PUNCT
admet-1879	141	9	performances	performance	NOUN
admet-1879	141	10	were	be	AUX
admet-1879	141	11	about	about	ADV
admet-1879	141	12	the	the	DET
admet-1879	141	13	same	same	ADJ
admet-1879	141	14	.	.	PUNCT
admet-1879	142	1	this	this	DET
admet-1879	142	2	encouraging	encouraging	ADJ
admet-1879	142	3	result	result	NOUN
admet-1879	142	4	became	become	VERB
admet-1879	142	5	the	the	DET
admet-1879	142	6	segway	segway	NOUN
admet-1879	142	7	to	to	ADP
admet-1879	142	8	our	our	PRON
admet-1879	142	9	study	study	NOUN
admet-1879	142	10	of	of	ADP
admet-1879	142	11	a	a	DET
admet-1879	142	12	more	more	ADV
admet-1879	142	13	diverse	diverse	ADJ
admet-1879	142	14	class	class	NOUN
admet-1879	142	15	of	of	ADP
admet-1879	142	16	test	test	NOUN
admet-1879	142	17	molecules	molecule	NOUN
admet-1879	142	18	:	:	PUNCT
admet-1879	142	19	recently	recently	ADV
admet-1879	142	20	fda	fda	PROPN
admet-1879	142	21	-	-	PUNCT
admet-1879	142	22	approved	approve	VERB
admet-1879	142	23	drugs	drug	NOUN
admet-1879	142	24	(	(	PUNCT
admet-1879	142	25	2016	2016	NUM
admet-1879	142	26	-	-	SYM
admet-1879	142	27	2022	2022	NUM
admet-1879	142	28	)	)	PUNCT
admet-1879	142	29	.	.	PUNCT
admet-1879	143	1	gse(φ	gse(φ	PROPN
admet-1879	143	2	,	,	PUNCT
admet-1879	143	3	b	b	X
admet-1879	143	4	)	)	PUNCT
admet-1879	143	5	works	work	VERB
admet-1879	143	6	well	well	ADV
admet-1879	143	7	for	for	ADP
admet-1879	143	8	both	both	CCONJ
admet-1879	143	9	big	big	ADJ
admet-1879	143	10	and	and	CCONJ
admet-1879	143	11	small	small	ADJ
admet-1879	143	12	molecules	molecule	NOUN
admet-1879	143	13	,	,	PUNCT
admet-1879	143	14	but	but	CCONJ
admet-1879	143	15	the	the	DET
admet-1879	143	16	consensus	consensus	NOUN
admet-1879	143	17	model	model	NOUN
admet-1879	143	18	,	,	PUNCT
admet-1879	143	19	based	base	VERB
admet-1879	143	20	on	on	ADP
admet-1879	143	21	the	the	DET
admet-1879	143	22	average	average	NOUN
admet-1879	143	23	of	of	ADP
admet-1879	143	24	gse(φ	gse(φ	PROPN
admet-1879	143	25	,	,	PUNCT
admet-1879	143	26	b	b	NOUN
admet-1879	143	27	)	)	PUNCT
admet-1879	143	28	and	and	CCONJ
admet-1879	143	29	absolv(grp	absolv(grp	PROPN
admet-1879	143	30	)	)	PUNCT
admet-1879	143	31	can	can	AUX
admet-1879	143	32	be	be	AUX
admet-1879	143	33	even	even	ADV
admet-1879	143	34	slightly	slightly	ADV
admet-1879	143	35	better	well	ADJ
admet-1879	143	36	than	than	ADP
admet-1879	143	37	the	the	DET
admet-1879	143	38	rfr	rfr	PROPN
admet-1879	143	39	model	model	NOUN
admet-1879	143	40	the	the	DET
admet-1879	143	41	pharma	pharma	PROPN
admet-1879	143	42	r&d	r&d	NOUN
admet-1879	143	43	productivity	productivity	NOUN
admet-1879	143	44	trended	trend	VERB
admet-1879	143	45	downwards	downwards	ADV
admet-1879	143	46	from	from	ADP
admet-1879	143	47	a	a	DET
admet-1879	143	48	high	high	ADJ
admet-1879	143	49	point	point	NOUN
admet-1879	143	50	in	in	ADP
admet-1879	143	51	1996	1996	NUM
admet-1879	143	52	to	to	ADP
admet-1879	143	53	leveling	level	VERB
admet-1879	143	54	off	off	ADP
admet-1879	143	55	by	by	ADP
admet-1879	143	56	2010	2010	NUM
admet-1879	143	57	,	,	PUNCT
admet-1879	143	58	judging	judge	VERB
admet-1879	143	59	by	by	ADP
admet-1879	143	60	the	the	DET
admet-1879	143	61	count	count	NOUN
admet-1879	143	62	of	of	ADP
admet-1879	143	63	new	new	ADJ
admet-1879	143	64	molecular	molecular	ADJ
admet-1879	143	65	entities	entity	NOUN
admet-1879	143	66	(	(	PUNCT
admet-1879	143	67	nmes	nme	NOUN
admet-1879	143	68	)	)	PUNCT
admet-1879	143	69	approved	approve	VERB
admet-1879	143	70	each	each	DET
admet-1879	143	71	year	year	NOUN
admet-1879	143	72	[	[	X
admet-1879	143	73	45	45	NUM
admet-1879	143	74	]	]	PUNCT
admet-1879	143	75	.	.	PUNCT
admet-1879	144	1	from	from	ADP
admet-1879	144	2	2011	2011	NUM
admet-1879	144	3	to	to	ADP
admet-1879	144	4	2020	2020	NUM
admet-1879	144	5	,	,	PUNCT
admet-1879	144	6	an	an	DET
admet-1879	144	7	upward	upward	ADJ
admet-1879	144	8	recovery	recovery	NOUN
admet-1879	144	9	trend	trend	NOUN
admet-1879	144	10	,	,	PUNCT
admet-1879	144	11	albeit	albeit	SCONJ
admet-1879	144	12	bumpy	bumpy	NOUN
admet-1879	144	13	,	,	PUNCT
admet-1879	144	14	can	can	AUX
admet-1879	144	15	be	be	AUX
admet-1879	144	16	discerned	discern	VERB
admet-1879	144	17	.	.	PUNCT
admet-1879	145	1	more	more	ADV
admet-1879	145	2	recently	recently	ADV
admet-1879	145	3	,	,	PUNCT
admet-1879	145	4	a	a	DET
admet-1879	145	5	trend	trend	NOUN
admet-1879	145	6	reversal	reversal	NOUN
admet-1879	145	7	may	may	AUX
admet-1879	145	8	be	be	AUX
admet-1879	145	9	taking	take	VERB
admet-1879	145	10	place	place	NOUN
admet-1879	145	11	.	.	PUNCT
admet-1879	146	1	of	of	ADP
admet-1879	146	2	the	the	DET
admet-1879	146	3	drugs	drug	NOUN
admet-1879	146	4	approved	approve	VERB
admet-1879	146	5	in	in	ADP
admet-1879	146	6	2020	2020	NUM
admet-1879	146	7	and	and	CCONJ
admet-1879	146	8	2021	2021	NUM
admet-1879	146	9	,	,	PUNCT
admet-1879	146	10	72	72	NUM
admet-1879	146	11	%	%	NOUN
admet-1879	146	12	are	be	AUX
admet-1879	146	13	considered	consider	VERB
admet-1879	146	14	‘	'	PUNCT
admet-1879	146	15	small	small	ADJ
admet-1879	146	16	molecule	molecule	NOUN
admet-1879	146	17	’	'	PUNCT
admet-1879	146	18	nmes	nme	NOUN
admet-1879	146	19	.	.	PUNCT
admet-1879	147	1	but	but	CCONJ
admet-1879	147	2	even	even	ADV
admet-1879	147	3	these	these	PRON
admet-1879	147	4	are	be	AUX
admet-1879	147	5	getting	get	VERB
admet-1879	147	6	larger	large	ADJ
admet-1879	147	7	,	,	PUNCT
admet-1879	147	8	less	less	ADV
admet-1879	147	9	soluble	soluble	ADJ
admet-1879	147	10	,	,	PUNCT
admet-1879	147	11	more	more	ADV
admet-1879	147	12	lipophilic	lipophilic	ADJ
admet-1879	147	13	,	,	PUNCT
admet-1879	147	14	and	and	CCONJ
admet-1879	147	15	possessing	possess	VERB
admet-1879	147	16	more	more	ADJ
admet-1879	147	17	h	h	NOUN
admet-1879	147	18	-	-	PUNCT
admet-1879	147	19	bond	bond	NOUN
admet-1879	147	20	acceptors	acceptor	NOUN
admet-1879	147	21	,	,	PUNCT
admet-1879	147	22	when	when	SCONJ
admet-1879	147	23	compared	compare	VERB
admet-1879	147	24	to	to	ADP
admet-1879	147	25	older	old	ADJ
admet-1879	147	26	drugs	drug	NOUN
admet-1879	147	27	.	.	PUNCT
admet-1879	148	1	large	large	ADJ
admet-1879	148	2	molecules	molecule	NOUN
admet-1879	148	3	may	may	AUX
admet-1879	148	4	be	be	AUX
admet-1879	148	5	burdened	burden	VERB
admet-1879	148	6	with	with	ADP
admet-1879	148	7	pk	pk	NOUN
admet-1879	148	8	risks	risk	NOUN
admet-1879	148	9	,	,	PUNCT
admet-1879	148	10	as	as	SCONJ
admet-1879	148	11	noted	note	VERB
admet-1879	148	12	above	above	ADV
admet-1879	148	13	.	.	PUNCT
admet-1879	149	1	in	in	ADP
admet-1879	149	2	our	our	PRON
admet-1879	149	3	fourth	fourth	ADJ
admet-1879	149	4	[	[	X
admet-1879	149	5	19	19	NUM
admet-1879	149	6	]	]	PUNCT
admet-1879	149	7	and	and	CCONJ
admet-1879	149	8	fifth	fifth	ADJ
admet-1879	149	9	[	[	X
admet-1879	149	10	20	20	NUM
admet-1879	149	11	]	]	PUNCT
admet-1879	149	12	studies	study	NOUN
admet-1879	149	13	,	,	PUNCT
admet-1879	149	14	we	we	PRON
admet-1879	149	15	directed	direct	VERB
admet-1879	149	16	our	our	PRON
admet-1879	149	17	efforts	effort	NOUN
admet-1879	149	18	to	to	PART
admet-1879	149	19	predict	predict	VERB
admet-1879	149	20	the	the	DET
admet-1879	149	21	solubility	solubility	NOUN
admet-1879	149	22	of	of	ADP
admet-1879	149	23	newly	newly	ADV
admet-1879	149	24	-	-	PUNCT
admet-1879	149	25	approved	approve	VERB
admet-1879	149	26	drugs	drug	NOUN
admet-1879	149	27	,	,	PUNCT
admet-1879	149	28	covering	cover	VERB
admet-1879	149	29	the	the	DET
admet-1879	149	30	period	period	NOUN
admet-1879	149	31	of	of	ADP
admet-1879	149	32	2016	2016	NUM
admet-1879	149	33	-	-	SYM
admet-1879	149	34	2021	2021	NUM
admet-1879	149	35	.	.	PUNCT
admet-1879	150	1	a	a	DET
admet-1879	150	2	few	few	ADJ
admet-1879	150	3	newly	newly	ADV
admet-1879	150	4	-	-	PUNCT
admet-1879	150	5	approved	approve	VERB
admet-1879	150	6	drugs	drug	NOUN
admet-1879	150	7	were	be	AUX
admet-1879	150	8	added	add	VERB
admet-1879	150	9	from	from	ADP
admet-1879	150	10	2022	2022	NUM
admet-1879	150	11	[	[	X
admet-1879	150	12	7	7	NUM
admet-1879	150	13	]	]	PUNCT
admet-1879	150	14	.	.	PUNCT
admet-1879	151	1	it	it	PRON
admet-1879	151	2	was	be	AUX
admet-1879	151	3	of	of	ADP
admet-1879	151	4	particular	particular	ADJ
admet-1879	151	5	interest	interest	NOUN
admet-1879	151	6	to	to	PART
admet-1879	151	7	see	see	VERB
admet-1879	151	8	how	how	SCONJ
admet-1879	151	9	the	the	DET
admet-1879	151	10	flexible	flexible	ADJ
admet-1879	151	11	-	-	PUNCT
admet-1879	151	12	acceptor	acceptor	NOUN
admet-1879	151	13	model	model	NOUN
admet-1879	151	14	,	,	PUNCT
admet-1879	151	15	gse(φ	gse(φ	PROPN
admet-1879	151	16	,	,	PUNCT
admet-1879	151	17	b	b	NOUN
admet-1879	151	18	)	)	PUNCT
admet-1879	151	19	,	,	PUNCT
admet-1879	151	20	would	would	AUX
admet-1879	151	21	perform	perform	VERB
admet-1879	151	22	,	,	PUNCT
admet-1879	151	23	since	since	SCONJ
admet-1879	151	24	many	many	ADJ
admet-1879	151	25	of	of	ADP
admet-1879	151	26	the	the	DET
admet-1879	151	27	new	new	ADJ
admet-1879	151	28	drugs	drug	NOUN
admet-1879	151	29	are	be	AUX
admet-1879	151	30	large	large	ADJ
admet-1879	151	31	and	and	CCONJ
admet-1879	151	32	draw	draw	VERB
admet-1879	151	33	on	on	ADP
admet-1879	151	34	a	a	DET
admet-1879	151	35	diverse	diverse	ADJ
admet-1879	151	36	chemical	chemical	NOUN
admet-1879	151	37	space	space	NOUN
admet-1879	151	38	.	.	PUNCT
admet-1879	152	1	in	in	ADP
admet-1879	152	2	addition	addition	NOUN
admet-1879	152	3	to	to	ADP
admet-1879	152	4	predictions	prediction	NOUN
admet-1879	152	5	,	,	PUNCT
admet-1879	152	6	the	the	DET
admet-1879	152	7	trends	trend	NOUN
admet-1879	152	8	in	in	ADP
admet-1879	152	9	physicochemical	physicochemical	ADJ
admet-1879	152	10	properties	property	NOUN
admet-1879	152	11	of	of	ADP
admet-1879	152	12	these	these	DET
admet-1879	152	13	new	new	ADJ
admet-1879	152	14	drugs	drug	NOUN
admet-1879	152	15	were	be	AUX
admet-1879	152	16	quantitated	quantitate	VERB
admet-1879	152	17	[	[	X
admet-1879	152	18	20	20	NUM
admet-1879	152	19	]	]	PUNCT
admet-1879	152	20	–	–	PUNCT
admet-1879	152	21	property	property	NOUN
admet-1879	152	22	inflation	inflation	NOUN
admet-1879	152	23	was	be	AUX
admet-1879	152	24	evident	evident	ADJ
admet-1879	152	25	.	.	PUNCT
admet-1879	153	1	to	to	PART
admet-1879	153	2	reduce	reduce	VERB
admet-1879	153	3	method	method	NOUN
admet-1879	153	4	bias	bias	NOUN
admet-1879	153	5	in	in	ADP
admet-1879	153	6	absolv	absolv	ADJ
admet-1879	153	7	prediction	prediction	NOUN
admet-1879	153	8	,	,	PUNCT
admet-1879	153	9	the	the	DET
admet-1879	153	10	training	training	NOUN
admet-1879	153	11	set	set	NOUN
admet-1879	153	12	data	datum	NOUN
admet-1879	153	13	were	be	AUX
admet-1879	153	14	divided	divide	VERB
admet-1879	153	15	into	into	ADP
admet-1879	153	16	six	six	NUM
admet-1879	153	17	groups	group	NOUN
admet-1879	153	18	.	.	PUNCT
admet-1879	154	1	the	the	DET
admet-1879	154	2	new	new	ADJ
admet-1879	154	3	operational	operational	ADJ
admet-1879	154	4	variant	variant	NOUN
admet-1879	154	5	[	[	X
admet-1879	154	6	20	20	NUM
admet-1879	154	7	]	]	PUNCT
admet-1879	154	8	,	,	PUNCT
admet-1879	154	9	called	call	VERB
admet-1879	154	10	absolv(grp	absolv(grp	PROPN
admet-1879	154	11	)	)	PUNCT
admet-1879	154	12	,	,	PUNCT
admet-1879	154	13	is	be	AUX
admet-1879	154	14	described	describe	VERB
admet-1879	154	15	below	below	ADV
admet-1879	154	16	.	.	PUNCT
admet-1879	155	1	●	●	NUM
admet-1879	155	2	test	test	NOUN
admet-1879	155	3	set	set	VERB
admet-1879	155	4	7	7	NUM
admet-1879	155	5	–	–	PUNCT
admet-1879	155	6	the	the	DET
admet-1879	155	7	intrinsic	intrinsic	ADJ
admet-1879	155	8	solubility	solubility	NOUN
admet-1879	155	9	of	of	ADP
admet-1879	155	10	105	105	NUM
admet-1879	155	11	newly	newly	ADV
admet-1879	155	12	fda	fda	NOUN
admet-1879	155	13	-	-	PUNCT
admet-1879	155	14	approved	approve	VERB
admet-1879	155	15	drugs	drug	NOUN
admet-1879	155	16	(	(	PUNCT
admet-1879	155	17	2016	2016	NUM
admet-1879	155	18	to	to	ADP
admet-1879	155	19	2022	2022	NUM
admet-1879	155	20	)	)	PUNCT
admet-1879	155	21	were	be	AUX
admet-1879	155	22	added	add	VERB
admet-1879	155	23	to	to	ADP
admet-1879	155	24	the	the	DET
admet-1879	155	25	wiki	wiki	NOUN
admet-1879	155	26	-	-	PUNCT
admet-1879	155	27	ps0	ps0	ADJ
admet-1879	155	28	database	database	NOUN
admet-1879	155	29	[	[	X
admet-1879	155	30	7	7	NUM
admet-1879	155	31	]	]	PUNCT
admet-1879	155	32	.	.	PUNCT
admet-1879	156	1	average	average	ADJ
admet-1879	156	2	log	log	NOUN
admet-1879	156	3	s0	s0	NOUN
admet-1879	156	4	=	=	PUNCT
admet-1879	156	5	-4.64	-4.64	X
admet-1879	156	6	(	(	PUNCT
admet-1879	156	7	ranging	range	VERB
admet-1879	156	8	-8.5	-8.5	INTJ
admet-1879	156	9	to	to	ADP
admet-1879	156	10	+0.6	+0.6	NUM
admet-1879	156	11	)	)	PUNCT
admet-1879	156	12	;	;	PUNCT
admet-1879	156	13	mwavg	mwavg	NOUN
admet-1879	156	14	=	=	SYM
admet-1879	156	15	465	465	NUM
admet-1879	156	16	da	da	NOUN
admet-1879	156	17	(	(	PUNCT
admet-1879	156	18	174	174	NUM
admet-1879	156	19	1215	1215	NUM
admet-1879	156	20	)	)	PUNCT
admet-1879	156	21	,	,	PUNCT
admet-1879	156	22	clogpavg	clogpavg	NOUN
admet-1879	156	23	=	=	NOUN
admet-1879	156	24	3.3	3.3	NUM
admet-1879	156	25	(	(	PUNCT
admet-1879	156	26	-5.8	-5.8	ADP
admet-1879	156	27	to	to	ADP
admet-1879	156	28	+8.7	+8.7	NUM
admet-1879	156	29	)	)	PUNCT
admet-1879	156	30	;	;	PUNCT
admet-1879	156	31	bavg	bavg	PROPN
admet-1879	156	32	=	=	SYM
admet-1879	156	33	2.2	2.2	NUM
admet-1879	156	34	(	(	PUNCT
admet-1879	156	35	0.8	0.8	NUM
admet-1879	156	36	7.7	7.7	NUM
admet-1879	156	37	)	)	PUNCT
admet-1879	156	38	;	;	PUNCT
admet-1879	156	39	φavg	φavg	NOUN
admet-1879	156	40	=	=	SYM
admet-1879	156	41	6.7	6.7	NUM
admet-1879	156	42	(	(	PUNCT
admet-1879	156	43	1.9	1.9	NUM
admet-1879	156	44	32.0	32.0	NUM
admet-1879	156	45	)	)	PUNCT
admet-1879	156	46	.	.	PUNCT
admet-1879	157	1	the	the	DET
admet-1879	157	2	gse(φ	gse(φ	PROPN
admet-1879	157	3	,	,	PUNCT
admet-1879	157	4	b	b	NOUN
admet-1879	157	5	)	)	PUNCT
admet-1879	157	6	was	be	AUX
admet-1879	157	7	originally	originally	ADV
admet-1879	157	8	developed	develop	VERB
admet-1879	157	9	to	to	PART
admet-1879	157	10	predict	predict	VERB
admet-1879	157	11	the	the	DET
admet-1879	157	12	solubility	solubility	NOUN
admet-1879	157	13	of	of	ADP
admet-1879	157	14	large	large	ADJ
admet-1879	157	15	flexible	flexible	ADJ
admet-1879	157	16	drug	drug	NOUN
admet-1879	157	17	-	-	PUNCT
admet-1879	157	18	like	like	ADJ
admet-1879	157	19	molecules	molecule	NOUN
admet-1879	157	20	.	.	PUNCT
admet-1879	158	1	it	it	PRON
admet-1879	158	2	was	be	AUX
admet-1879	158	3	shown	show	VERB
admet-1879	158	4	to	to	PART
admet-1879	158	5	predict	predict	VERB
admet-1879	158	6	the	the	DET
admet-1879	158	7	solubility	solubility	NOUN
admet-1879	158	8	of	of	ADP
admet-1879	158	9	drugs	drug	NOUN
admet-1879	158	10	beyond	beyond	ADP
admet-1879	158	11	lipinski	lipinski	PROPN
admet-1879	158	12	’s	’s	PART
admet-1879	158	13	‘	'	PUNCT
admet-1879	158	14	rule	rule	NOUN
admet-1879	158	15	of	of	ADP
admet-1879	158	16	5	5	NUM
admet-1879	158	17	’	'	PUNCT
admet-1879	158	18	chemical	chemical	ADJ
admet-1879	158	19	space	space	NOUN
admet-1879	158	20	(	(	PUNCT
admet-1879	158	21	bro5	bro5	PROPN
admet-1879	158	22	)	)	PUNCT
admet-1879	158	23	to	to	ADP
admet-1879	158	24	a	a	DET
admet-1879	158	25	precision	precision	NOUN
admet-1879	158	26	matching	match	VERB
admet-1879	158	27	that	that	PRON
admet-1879	158	28	of	of	ADP
admet-1879	158	29	the	the	DET
admet-1879	158	30	random	random	ADJ
admet-1879	158	31	forest	forest	NOUN
admet-1879	158	32	regression	regression	NOUN
admet-1879	158	33	(	(	PUNCT
admet-1879	158	34	rfr	rfr	PROPN
admet-1879	158	35	)	)	PUNCT
admet-1879	158	36	machine	machine	NOUN
admet-1879	158	37	learning	learning	NOUN
admet-1879	158	38	method	method	NOUN
admet-1879	158	39	[	[	X
admet-1879	158	40	18	18	NUM
admet-1879	158	41	]	]	PUNCT
admet-1879	158	42	.	.	PUNCT
admet-1879	159	1	surprisingly	surprisingly	ADV
admet-1879	159	2	,	,	PUNCT
admet-1879	159	3	the	the	DET
admet-1879	159	4	https://doi.org/10.5599/admet.1879	https://doi.org/10.5599/admet.1879	NOUN
admet-1879	159	5	a.	a.	PROPN
admet-1879	159	6	avdeef	avdeef	PROPN
admet-1879	159	7	admet	admet	PROPN
admet-1879	159	8	&	&	CCONJ
admet-1879	159	9	dmpk	dmpk	PROPN
admet-1879	159	10	11(3	11(3	NUM
admet-1879	159	11	)	)	PUNCT
admet-1879	159	12	(	(	PUNCT
admet-1879	159	13	2023	2023	NUM
admet-1879	159	14	)	)	PUNCT
admet-1879	159	15	317	317	NUM
admet-1879	159	16	-	-	SYM
admet-1879	159	17	330	330	NUM
admet-1879	159	18	322	322	NUM
admet-1879	159	19	gse(φ	gse(φ	PROPN
admet-1879	159	20	,	,	PUNCT
admet-1879	159	21	b	b	NOUN
admet-1879	159	22	)	)	PUNCT
admet-1879	159	23	appeared	appear	VERB
admet-1879	159	24	to	to	PART
admet-1879	159	25	work	work	VERB
admet-1879	159	26	well	well	ADV
admet-1879	159	27	also	also	ADV
admet-1879	159	28	for	for	ADP
admet-1879	159	29	ro5	ro5	ADJ
admet-1879	159	30	drugs	drug	NOUN
admet-1879	159	31	[	[	X
admet-1879	159	32	19	19	NUM
admet-1879	159	33	]	]	PUNCT
admet-1879	159	34	.	.	PUNCT
admet-1879	160	1	as	as	ADP
admet-1879	160	2	before	before	ADV
admet-1879	160	3	,	,	PUNCT
admet-1879	160	4	to	to	PART
admet-1879	160	5	add	add	VERB
admet-1879	160	6	context	context	NOUN
admet-1879	160	7	to	to	ADP
admet-1879	160	8	the	the	DET
admet-1879	160	9	gse(φ	gse(φ	PROPN
admet-1879	160	10	,	,	PUNCT
admet-1879	160	11	b	b	NOUN
admet-1879	160	12	)	)	PUNCT
admet-1879	160	13	model	model	NOUN
admet-1879	160	14	,	,	PUNCT
admet-1879	160	15	gse(classic	gse(classic	NOUN
admet-1879	160	16	)	)	PUNCT
admet-1879	160	17	,	,	PUNCT
admet-1879	160	18	absolv(grp	absolv(grp	PROPN
admet-1879	160	19	)	)	PUNCT
admet-1879	160	20	,	,	PUNCT
admet-1879	160	21	and	and	CCONJ
admet-1879	160	22	rfr	rfr	PROPN
admet-1879	160	23	models	model	NOUN
admet-1879	160	24	were	be	AUX
admet-1879	160	25	also	also	ADV
admet-1879	160	26	applied	apply	VERB
admet-1879	160	27	to	to	PART
admet-1879	160	28	predict	predict	VERB
admet-1879	160	29	log	log	NOUN
admet-1879	160	30	s0	s0	PROPN
admet-1879	160	31	of	of	ADP
admet-1879	160	32	the	the	DET
admet-1879	160	33	newly	newly	ADV
admet-1879	160	34	-	-	PUNCT
admet-1879	160	35	approve	approve	ADJ
admet-1879	160	36	‘	'	PUNCT
admet-1879	160	37	small	small	ADJ
admet-1879	160	38	molecule	molecule	NOUN
admet-1879	160	39	’	'	PUNCT
admet-1879	160	40	nmes	nme	NOUN
admet-1879	160	41	,	,	PUNCT
admet-1879	160	42	for	for	ADP
admet-1879	160	43	which	which	PRON
admet-1879	160	44	useable	useable	ADJ
admet-1879	160	45	reported	report	VERB
admet-1879	160	46	solubility	solubility	NOUN
admet-1879	160	47	values	value	NOUN
admet-1879	160	48	could	could	AUX
admet-1879	160	49	be	be	AUX
admet-1879	160	50	accessed	access	VERB
admet-1879	160	51	(	(	PUNCT
admet-1879	160	52	the	the	DET
admet-1879	160	53	majority	majority	NOUN
admet-1879	160	54	from	from	ADP
admet-1879	160	55	fda	fda	PROPN
admet-1879	160	56	new	new	ADJ
admet-1879	160	57	drug	drug	NOUN
admet-1879	160	58	application	application	NOUN
admet-1879	160	59	published	publish	VERB
admet-1879	160	60	reports	report	NOUN
admet-1879	160	61	)	)	PUNCT
admet-1879	160	62	.	.	PUNCT
admet-1879	161	1	the	the	DET
admet-1879	161	2	prediction	prediction	NOUN
admet-1879	161	3	models	model	NOUN
admet-1879	161	4	were	be	AUX
admet-1879	161	5	retrained	retrain	VERB
admet-1879	161	6	with	with	ADP
admet-1879	161	7	an	an	DET
admet-1879	161	8	enlarged	enlarged	ADJ
admet-1879	161	9	version	version	NOUN
admet-1879	161	10	of	of	ADP
admet-1879	161	11	the	the	DET
admet-1879	161	12	wiki	wiki	NOUN
admet-1879	161	13	-	-	PUNCT
admet-1879	161	14	ps0	ps0	ADJ
admet-1879	161	15	database	database	NOUN
admet-1879	161	16	.	.	PUNCT
admet-1879	162	1	gse(classic	gse(classic	NOUN
admet-1879	162	2	)	)	PUNCT
admet-1879	162	3	was	be	AUX
admet-1879	162	4	applied	apply	VERB
admet-1879	162	5	in	in	ADP
admet-1879	162	6	its	its	PRON
admet-1879	162	7	traditional	traditional	ADJ
admet-1879	162	8	form	form	NOUN
admet-1879	162	9	.	.	PUNCT
admet-1879	163	1	rfr	rfr	PROPN
admet-1879	163	2	and	and	CCONJ
admet-1879	163	3	gse(φ	gse(φ	PROPN
admet-1879	163	4	,	,	PUNCT
admet-1879	163	5	b	b	NOUN
admet-1879	163	6	)	)	PUNCT
admet-1879	163	7	outperformed	outperform	VERB
admet-1879	163	8	the	the	DET
admet-1879	163	9	gse(classic	gse(classic	NOUN
admet-1879	163	10	)	)	PUNCT
admet-1879	163	11	and	and	CCONJ
admet-1879	163	12	absolv(grp	absolv(grp	PROPN
admet-1879	163	13	)	)	PUNCT
admet-1879	163	14	models	model	NOUN
admet-1879	163	15	in	in	ADP
admet-1879	163	16	most	most	ADJ
admet-1879	163	17	of	of	ADP
admet-1879	163	18	the	the	DET
admet-1879	163	19	metrics	metric	NOUN
admet-1879	163	20	[	[	X
admet-1879	163	21	35	35	NUM
admet-1879	163	22	]	]	SYM
admet-1879	163	23	:	:	PUNCT
admet-1879	163	24	r2	r2	PROPN
admet-1879	163	25	=	=	PUNCT
admet-1879	163	26	(	(	PUNCT
admet-1879	163	27	0.64	0.64	NUM
admet-1879	163	28	,	,	PUNCT
admet-1879	163	29	0.59	0.59	NUM
admet-1879	163	30	,	,	PUNCT
admet-1879	163	31	0.47	0.47	NUM
admet-1879	163	32	,	,	PUNCT
admet-1879	163	33	0.41	0.41	NUM
admet-1879	163	34	)	)	PUNCT
admet-1879	163	35	,	,	PUNCT
admet-1879	163	36	rmse	rmse	NOUN
admet-1879	163	37	=	=	SYM
admet-1879	163	38	(	(	PUNCT
admet-1879	163	39	1.09	1.09	NUM
admet-1879	163	40	,	,	PUNCT
admet-1879	163	41	1.15	1.15	NUM
admet-1879	163	42	,	,	PUNCT
admet-1879	163	43	1.33	1.33	NUM
admet-1879	163	44	,	,	PUNCT
admet-1879	163	45	1.40	1.40	NUM
admet-1879	163	46	)	)	PUNCT
admet-1879	163	47	,	,	PUNCT
admet-1879	163	48	mpp	mpp	NOUN
admet-1879	163	49	=	=	PUNCT
admet-1879	163	50	(	(	PUNCT
admet-1879	163	51	37	37	NUM
admet-1879	163	52	,	,	PUNCT
admet-1879	163	53	32	32	NUM
admet-1879	163	54	,	,	PUNCT
admet-1879	163	55	29	29	NUM
admet-1879	163	56	and	and	CCONJ
admet-1879	163	57	31	31	NUM
admet-1879	163	58	%	%	NOUN
admet-1879	163	59	)	)	PUNCT
admet-1879	163	60	,	,	PUNCT
admet-1879	163	61	and	and	CCONJ
admet-1879	163	62	bias	bias	NOUN
admet-1879	163	63	=	=	SYM
admet-1879	163	64	(	(	PUNCT
admet-1879	163	65	-0.11	-0.11	X
admet-1879	163	66	,	,	PUNCT
admet-1879	163	67	-0.34	-0.34	NOUN
admet-1879	163	68	,	,	PUNCT
admet-1879	163	69	+0.01	+0.01	PROPN
admet-1879	163	70	,	,	PUNCT
admet-1879	163	71	-0.33	-0.33	ADJ
admet-1879	163	72	)	)	PUNCT
admet-1879	163	73	for	for	ADP
admet-1879	163	74	rfr	rfr	PROPN
admet-1879	163	75	,	,	PUNCT
admet-1879	163	76	gse(φ	gse(φ	PROPN
admet-1879	163	77	,	,	PUNCT
admet-1879	163	78	b	b	NOUN
admet-1879	163	79	)	)	PUNCT
admet-1879	163	80	,	,	PUNCT
admet-1879	163	81	absolv(grp	absolv(grp	PROPN
admet-1879	163	82	)	)	PUNCT
admet-1879	163	83	,	,	PUNCT
admet-1879	163	84	and	and	CCONJ
admet-1879	163	85	gse(classic	gse(classic	NUM
admet-1879	163	86	)	)	PUNCT
admet-1879	163	87	,	,	PUNCT
admet-1879	163	88	respectively	respectively	ADV
admet-1879	163	89	,	,	PUNCT
admet-1879	163	90	for	for	ADP
admet-1879	163	91	the	the	DET
admet-1879	163	92	105	105	NUM
admet-1879	163	93	new	new	ADJ
admet-1879	163	94	drugs	drug	NOUN
admet-1879	163	95	.	.	PUNCT
admet-1879	164	1	the	the	DET
admet-1879	164	2	consensus	consensus	NOUN
admet-1879	164	3	model	model	NOUN
admet-1879	164	4	[	[	X
admet-1879	164	5	19	19	NUM
admet-1879	164	6	]	]	X
admet-1879	164	7	(	(	PUNCT
admet-1879	164	8	average	average	NOUN
admet-1879	164	9	of	of	ADP
admet-1879	164	10	gse(φ	gse(φ	PROPN
admet-1879	164	11	,	,	PUNCT
admet-1879	164	12	b	b	NOUN
admet-1879	164	13	)	)	PUNCT
admet-1879	164	14	and	and	CCONJ
admet-1879	164	15	absolv(grp	absolv(grp	PROPN
admet-1879	164	16	)	)	PUNCT
admet-1879	164	17	)	)	PUNCT
admet-1879	164	18	,	,	PUNCT
admet-1879	164	19	performed	perform	VERB
admet-1879	164	20	just	just	ADV
admet-1879	164	21	about	about	ADV
admet-1879	164	22	as	as	ADV
admet-1879	164	23	well	well	ADV
admet-1879	164	24	as	as	ADP
admet-1879	164	25	the	the	DET
admet-1879	164	26	rfr	rfr	PROPN
admet-1879	164	27	model	model	NOUN
admet-1879	164	28	,	,	PUNCT
admet-1879	164	29	with	with	ADP
admet-1879	164	30	the	the	DET
admet-1879	164	31	metrics	metric	NOUN
admet-1879	164	32	:	:	PUNCT
admet-1879	164	33	r2	r2	PROPN
admet-1879	164	34	=	=	SYM
admet-1879	164	35	0.63	0.63	NUM
admet-1879	164	36	,	,	PUNCT
admet-1879	164	37	rmse	rmse	NOUN
admet-1879	164	38	=	=	SYM
admet-1879	164	39	1.10	1.10	NUM
admet-1879	164	40	,	,	PUNCT
admet-1879	164	41	mpp	mpp	NOUN
admet-1879	164	42	=	=	SYM
admet-1879	164	43	34	34	NUM
admet-1879	164	44	%	%	NOUN
admet-1879	164	45	,	,	PUNCT
admet-1879	164	46	and	and	CCONJ
admet-1879	164	47	bias	bias	NOUN
admet-1879	164	48	=	=	SYM
admet-1879	165	1	-0.16	-0.16	INTJ
admet-1879	165	2	.	.	PUNCT
admet-1879	166	1	the	the	DET
admet-1879	166	2	near	near	ADP
admet-1879	166	3	zero	zero	NUM
admet-1879	166	4	bias	bias	NOUN
admet-1879	166	5	of	of	ADP
admet-1879	166	6	the	the	DET
admet-1879	166	7	absolv(grp	absolv(grp	PROPN
admet-1879	166	8	)	)	PUNCT
admet-1879	166	9	model	model	NOUN
admet-1879	166	10	in	in	ADP
admet-1879	166	11	the	the	DET
admet-1879	166	12	most	most	ADV
admet-1879	166	13	recent	recent	ADJ
admet-1879	166	14	studies	study	NOUN
admet-1879	166	15	was	be	AUX
admet-1879	166	16	largely	largely	ADV
admet-1879	166	17	achieved	achieve	VERB
admet-1879	166	18	by	by	ADP
admet-1879	166	19	dividing	divide	VERB
admet-1879	166	20	the	the	DET
admet-1879	166	21	training	training	NOUN
admet-1879	166	22	set	set	VERB
admet-1879	166	23	into	into	ADP
admet-1879	166	24	six	six	NUM
admet-1879	166	25	sub	sub	NOUN
admet-1879	166	26	-	-	NOUN
admet-1879	166	27	classes	class	NOUN
admet-1879	166	28	.	.	PUNCT
admet-1879	167	1	big	big	ADJ
admet-1879	167	2	molecules	molecule	NOUN
admet-1879	167	3	(	(	PUNCT
admet-1879	167	4	mw	mw	X
admet-1879	167	5	>	>	X
admet-1879	167	6	800	800	NUM
admet-1879	167	7	da	da	NOUN
admet-1879	167	8	)	)	PUNCT
admet-1879	167	9	and	and	CCONJ
admet-1879	167	10	quaternary	quaternary	ADJ
admet-1879	167	11	ammonium	ammonium	NOUN
admet-1879	167	12	compounds	compound	NOUN
admet-1879	167	13	were	be	AUX
admet-1879	167	14	first	first	ADV
admet-1879	167	15	removed	remove	VERB
admet-1879	167	16	from	from	ADP
admet-1879	167	17	the	the	DET
admet-1879	167	18	training	training	NOUN
admet-1879	167	19	set	set	NOUN
admet-1879	167	20	and	and	CCONJ
admet-1879	167	21	were	be	AUX
admet-1879	167	22	each	each	PRON
admet-1879	167	23	analyzed	analyze	VERB
admet-1879	167	24	separately	separately	ADV
admet-1879	167	25	,	,	PUNCT
admet-1879	167	26	with	with	ADP
admet-1879	167	27	the	the	DET
admet-1879	167	28	a0	a0	PROPN
admet-1879	167	29	-	-	PUNCT
admet-1879	167	30	a7	a7	PROPN
admet-1879	167	31	coefficients	coefficient	NOUN
admet-1879	167	32	in	in	ADP
admet-1879	167	33	eq	eq	ADP
admet-1879	167	34	.	.	PUNCT
admet-1879	168	1	(	(	PUNCT
admet-1879	168	2	2	2	X
admet-1879	168	3	)	)	PUNCT
admet-1879	168	4	determined	determine	VERB
admet-1879	168	5	by	by	ADP
admet-1879	168	6	pls	pls	PROPN
admet-1879	168	7	regression	regression	NOUN
admet-1879	168	8	.	.	PUNCT
admet-1879	169	1	the	the	DET
admet-1879	169	2	remaining	remain	VERB
admet-1879	169	3	training	training	NOUN
admet-1879	169	4	set	set	VERB
admet-1879	169	5	molecules	molecule	NOUN
admet-1879	169	6	were	be	AUX
admet-1879	169	7	divided	divide	VERB
admet-1879	169	8	into	into	ADP
admet-1879	169	9	four	four	NUM
admet-1879	169	10	classes	class	NOUN
admet-1879	169	11	,	,	PUNCT
admet-1879	169	12	based	base	VERB
admet-1879	169	13	on	on	ADP
admet-1879	169	14	their	their	PRON
admet-1879	169	15	net	net	ADJ
admet-1879	169	16	charge	charge	NOUN
admet-1879	169	17	at	at	ADP
admet-1879	169	18	ph	ph	PROPN
admet-1879	169	19	7.4	7.4	NUM
admet-1879	169	20	:	:	PUNCT
admet-1879	169	21	acids	acid	NOUN
admet-1879	169	22	(	(	PUNCT
admet-1879	169	23	-	-	PUNCT
admet-1879	169	24	)	)	PUNCT
admet-1879	169	25	,	,	PUNCT
admet-1879	169	26	bases	basis	NOUN
admet-1879	169	27	(	(	PUNCT
admet-1879	169	28	+	+	NOUN
admet-1879	169	29	)	)	PUNCT
admet-1879	169	30	,	,	PUNCT
admet-1879	169	31	zwitterions	zwitterion	NOUN
admet-1879	169	32	(	(	PUNCT
admet-1879	169	33	±	±	NUM
admet-1879	169	34	)	)	PUNCT
admet-1879	169	35	,	,	PUNCT
admet-1879	169	36	and	and	CCONJ
admet-1879	169	37	neutrals	neutral	NOUN
admet-1879	169	38	(	(	PUNCT
admet-1879	169	39	0	0	NUM
admet-1879	169	40	)	)	PUNCT
admet-1879	169	41	.	.	PUNCT
admet-1879	170	1	table	table	NOUN
admet-1879	170	2	1	1	NUM
admet-1879	170	3	summarizes	summarize	VERB
admet-1879	170	4	the	the	DET
admet-1879	170	5	results	result	NOUN
admet-1879	170	6	of	of	ADP
admet-1879	170	7	the	the	DET
admet-1879	170	8	sub	sub	ADJ
admet-1879	170	9	-	-	ADJ
admet-1879	170	10	class	class	ADJ
admet-1879	170	11	training	training	NOUN
admet-1879	170	12	.	.	PUNCT
admet-1879	171	1	table	table	NOUN
admet-1879	171	2	1	1	NUM
admet-1879	171	3	.	.	PUNCT
admet-1879	171	4	absolv(grp	absolv(grp	PROPN
admet-1879	171	5	)	)	PUNCT
admet-1879	171	6	coefficients	coefficient	NOUN
admet-1879	171	7	determined	determine	VERB
admet-1879	171	8	by	by	ADP
admet-1879	171	9	pls	pls	INTJ
admet-1879	171	10	regression	regression	VERB
admet-1879	171	11	analysis	analysis	NOUN
admet-1879	171	12	of	of	ADP
admet-1879	171	13	training	training	NOUN
admet-1879	171	14	seta	seta	PROPN
admet-1879	171	15	log	log	PROPN
admet-1879	171	16	s0	s0	PROPN
admet-1879	171	17	absolv	absolv	PROPN
admet-1879	171	18	=	=	PROPN
admet-1879	171	19	a0	a0	PROPN
admet-1879	171	20	+	+	CCONJ
admet-1879	171	21	a1a	a1a	PROPN
admet-1879	171	22	+	+	CCONJ
admet-1879	171	23	a2b	a2b	PROPN
admet-1879	171	24	+	+	X
admet-1879	171	25	a3sπ	a3sπ	PUNCT
admet-1879	172	1	+	+	CCONJ
admet-1879	172	2	a4e	a4e	PROPN
admet-1879	172	3	+	+	CCONJ
admet-1879	172	4	a5v	a5v	PROPN
admet-1879	172	5	+	+	CCONJ
admet-1879	172	6	a6ab	a6ab	PROPN
admet-1879	172	7	group	group	NOUN
admet-1879	172	8	a0	a0	PROPN
admet-1879	172	9	a1	a1	PROPN
admet-1879	172	10	a2	a2	PROPN
admet-1879	172	11	a3	a3	PROPN
admet-1879	172	12	a4	a4	PROPN
admet-1879	172	13	a5	a5	PROPN
admet-1879	172	14	a6	a6	PROPN
admet-1879	172	15	pearson	pearson	PROPN
admet-1879	172	16	r2	r2	PROPN
admet-1879	172	17	rmse	rmse	PROPN
admet-1879	172	18	n	n	PART
admet-1879	172	19	acids	acid	NOUN
admet-1879	172	20	-0.30	-0.30	VERB
admet-1879	172	21	0.26	0.26	NUM
admet-1879	172	22	1.07	1.07	NUM
admet-1879	172	23	0.04	0.04	NUM
admet-1879	172	24	-0.91	-0.91	NOUN
admet-1879	172	25	-1.80	-1.80	NOUN
admet-1879	172	26	0.43	0.43	NUM
admet-1879	172	27	0.65	0.65	NUM
admet-1879	172	28	1.17	1.17	NUM
admet-1879	172	29	1578	1578	NUM
admet-1879	172	30	bases	basis	NOUN
admet-1879	172	31	-0.39	-0.39	NOUN
admet-1879	172	32	-0.61	-0.61	NUM
admet-1879	172	33	1.95	1.95	NUM
admet-1879	172	34	0.25	0.25	NUM
admet-1879	172	35	-1.67	-1.67	NUM
admet-1879	172	36	-1.37	-1.37	NOUN
admet-1879	172	37	0.09	0.09	NUM
admet-1879	172	38	0.64	0.64	NUM
admet-1879	172	39	1.11	1.11	NUM
admet-1879	172	40	945	945	NUM
admet-1879	172	41	zwitterions	zwitterion	NOUN
admet-1879	172	42	1.52	1.52	NUM
admet-1879	172	43	-1.44	-1.44	NUM
admet-1879	172	44	0.88	0.88	NUM
admet-1879	172	45	-0.23	-0.23	NUM
admet-1879	172	46	-1.02	-1.02	NUM
admet-1879	172	47	-1.08	-1.08	NUM
admet-1879	172	48	0.38	0.38	NUM
admet-1879	172	49	0.71	0.71	NUM
admet-1879	172	50	0.88	0.88	NUM
admet-1879	172	51	641	641	NUM
admet-1879	172	52	neutrals	neutral	NOUN
admet-1879	172	53	-0.45	-0.45	X
admet-1879	172	54	-0.18	-0.18	NUM
admet-1879	172	55	1.73	1.73	NUM
admet-1879	172	56	0.10	0.10	NUM
admet-1879	172	57	-1.48	-1.48	NUM
admet-1879	172	58	-1.36	-1.36	NUM
admet-1879	172	59	0.26	0.26	NUM
admet-1879	172	60	0.63	0.63	NUM
admet-1879	172	61	1.12	1.12	NUM
admet-1879	172	62	4246	4246	NUM
admet-1879	172	63	big	big	ADJ
admet-1879	172	64	(	(	PUNCT
admet-1879	172	65	mw	mw	X
admet-1879	172	66	>	>	X
admet-1879	172	67	800	800	NUM
admet-1879	172	68	da	da	NOUN
admet-1879	172	69	)	)	PUNCT
admet-1879	172	70	-3.76	-3.76	ADP
admet-1879	172	71	0.72	0.72	NUM
admet-1879	172	72	0.61	0.61	NUM
admet-1879	172	73	-0.03	-0.03	NUM
admet-1879	172	74	-0.47	-0.47	PROPN
admet-1879	172	75	-0.38	-0.38	PROPN
admet-1879	172	76	-0.02	-0.02	NUM
admet-1879	172	77	0.42	0.42	NUM
admet-1879	172	78	1.04	1.04	NUM
admet-1879	172	79	93	93	NUM
admet-1879	172	80	quaternaries	quaternary	NOUN
admet-1879	172	81	0.53	0.53	NUM
admet-1879	172	82	-1.23	-1.23	NUM
admet-1879	172	83	0.74	0.74	NUM
admet-1879	172	84	-0.04	-0.04	NUM
admet-1879	172	85	-0.62	-0.62	NUM
admet-1879	172	86	-0.49	-0.49	PROPN
admet-1879	172	87	0.09	0.09	NUM
admet-1879	172	88	0.66	0.66	NUM
admet-1879	172	89	0.94	0.94	NUM
admet-1879	172	90	39	39	NUM
admet-1879	172	91	aa0	aa0	ADJ
admet-1879	172	92	-	-	PUNCT
admet-1879	172	93	a6	a6	ADJ
admet-1879	172	94	coefficients	coefficient	NOUN
admet-1879	172	95	in	in	ADP
admet-1879	172	96	eq	eq	ADP
admet-1879	172	97	.	.	PUNCT
admet-1879	173	1	(	(	PUNCT
admet-1879	173	2	2	2	NUM
admet-1879	173	3	)	)	PUNCT
admet-1879	173	4	.	.	PUNCT
admet-1879	174	1	pls	pls	VERB
admet-1879	174	2	open	open	ADJ
admet-1879	174	3	-	-	PUNCT
admet-1879	174	4	source	source	NOUN
admet-1879	174	5	package	package	NOUN
admet-1879	174	6	from	from	ADP
admet-1879	174	7	https://cran.r-project.org/web/packages/pls	https://cran.r-project.org/web/packages/pls	NOUN
admet-1879	174	8	.	.	PUNCT
admet-1879	175	1	the	the	DET
admet-1879	175	2	gse(φ	gse(φ	PROPN
admet-1879	175	3	,	,	PUNCT
admet-1879	175	4	b	b	NOUN
admet-1879	175	5	)	)	PUNCT
admet-1879	175	6	model	model	NOUN
admet-1879	175	7	was	be	AUX
admet-1879	175	8	further	far	ADV
admet-1879	175	9	re	re	VERB
admet-1879	175	10	-	-	VERB
admet-1879	175	11	trained	train	VERB
admet-1879	175	12	,	,	PUNCT
admet-1879	175	13	as	as	SCONJ
admet-1879	175	14	more	more	ADJ
admet-1879	175	15	data	datum	NOUN
admet-1879	175	16	had	have	AUX
admet-1879	175	17	been	be	AUX
admet-1879	175	18	added	add	VERB
admet-1879	175	19	to	to	ADP
admet-1879	175	20	the	the	DET
admet-1879	175	21	wiki	wiki	NOUN
admet-1879	175	22	-	-	PUNCT
admet-1879	175	23	ps0	ps0	ADJ
admet-1879	175	24	database	database	NOUN
admet-1879	175	25	.	.	PUNCT
admet-1879	176	1	for	for	ADP
admet-1879	176	2	this	this	DET
admet-1879	176	3	step	step	NOUN
admet-1879	176	4	,	,	PUNCT
admet-1879	176	5	the	the	DET
admet-1879	176	6	solubility	solubility	NOUN
admet-1879	176	7	data	datum	NOUN
admet-1879	176	8	in	in	ADP
admet-1879	176	9	the	the	DET
admet-1879	176	10	training	training	NOUN
admet-1879	176	11	set	set	NOUN
admet-1879	176	12	were	be	AUX
admet-1879	176	13	sorted	sort	VERB
admet-1879	176	14	on	on	ADP
admet-1879	176	15	φ+b	φ+b	NUM
admet-1879	176	16	and	and	CCONJ
admet-1879	176	17	grouped	group	VERB
admet-1879	176	18	into	into	ADP
admet-1879	176	19	twenty	twenty	NUM
admet-1879	176	20	bins	bin	NOUN
admet-1879	176	21	of	of	ADP
admet-1879	176	22	increasing	increase	VERB
admet-1879	176	23	values	value	NOUN
admet-1879	176	24	[	[	X
admet-1879	176	25	19	19	NUM
admet-1879	176	26	]	]	PUNCT
admet-1879	176	27	.	.	PUNCT
admet-1879	177	1	in	in	ADP
admet-1879	177	2	each	each	DET
admet-1879	177	3	φ+b	φ+b	NUM
admet-1879	177	4	bin	bin	NOUN
admet-1879	177	5	of	of	ADP
admet-1879	177	6	about	about	ADV
admet-1879	177	7	700	700	NUM
admet-1879	177	8	solubility	solubility	NOUN
admet-1879	177	9	entries	entry	NOUN
admet-1879	177	10	,	,	PUNCT
admet-1879	177	11	the	the	DET
admet-1879	177	12	three	three	NUM
admet-1879	177	13	gse	gse	ADJ
admet-1879	177	14	coefficients	coefficient	NOUN
admet-1879	177	15	,	,	PUNCT
admet-1879	177	16	c0	c0	NOUN
admet-1879	177	17	-	-	NOUN
admet-1879	177	18	c2	c2	PROPN
admet-1879	177	19	in	in	ADP
admet-1879	177	20	eq	eq	ADP
admet-1879	177	21	.	.	PUNCT
admet-1879	178	1	(	(	PUNCT
admet-1879	178	2	3	3	X
admet-1879	178	3	)	)	PUNCT
admet-1879	178	4	were	be	AUX
admet-1879	178	5	each	each	PRON
admet-1879	178	6	determined	determine	VERB
admet-1879	178	7	by	by	ADP
admet-1879	178	8	linear	linear	PROPN
admet-1879	178	9	pls	pls	INTJ
admet-1879	178	10	regression	regression	NOUN
admet-1879	178	11	.	.	PUNCT
admet-1879	179	1	the	the	DET
admet-1879	179	2	resultant	resultant	NOUN
admet-1879	179	3	three	three	NUM
admet-1879	179	4	groups	group	NOUN
admet-1879	179	5	of	of	ADP
admet-1879	179	6	c	c	NOUN
admet-1879	179	7	-	-	PUNCT
admet-1879	179	8	coefficients	coefficient	NOUN
admet-1879	179	9	showed	show	VERB
admet-1879	179	10	recognizable	recognizable	ADJ
admet-1879	179	11	forms	form	NOUN
admet-1879	179	12	as	as	ADP
admet-1879	179	13	a	a	DET
admet-1879	179	14	function	function	NOUN
admet-1879	179	15	of	of	ADP
admet-1879	179	16	φ+b	φ+b	NUM
admet-1879	179	17	.	.	PUNCT
admet-1879	180	1	the	the	DET
admet-1879	180	2	trend	trend	NOUN
admet-1879	180	3	in	in	ADP
admet-1879	180	4	c0	c0	PROPN
admet-1879	180	5	was	be	AUX
admet-1879	180	6	characteristic	characteristic	ADJ
admet-1879	180	7	of	of	ADP
admet-1879	180	8	a	a	DET
admet-1879	180	9	decreasing	decrease	VERB
admet-1879	180	10	exponential	exponential	ADJ
admet-1879	180	11	function	function	NOUN
admet-1879	180	12	in	in	ADP
admet-1879	180	13	φ+b	φ+b	NUM
admet-1879	180	14	,	,	PUNCT
admet-1879	180	15	suggesting	suggest	VERB
admet-1879	180	16	that	that	SCONJ
admet-1879	180	17	the	the	DET
admet-1879	180	18	solubility	solubility	NOUN
admet-1879	180	19	of	of	ADP
admet-1879	180	20	a	a	DET
admet-1879	180	21	liquid	liquid	NOUN
admet-1879	180	22	solute	solute	NOUN
admet-1879	180	23	in	in	ADP
admet-1879	180	24	model	model	NOUN
admet-1879	180	25	lipid	lipid	NOUN
admet-1879	180	26	(	(	PUNCT
admet-1879	180	27	octanol	octanol	NOUN
admet-1879	180	28	)	)	PUNCT
admet-1879	180	29	[	[	X
admet-1879	180	30	16	16	NUM
admet-1879	180	31	-	-	SYM
admet-1879	180	32	18	18	NUM
admet-1879	180	33	]	]	PUNCT
admet-1879	180	34	decreases	decrease	NOUN
admet-1879	180	35	as	as	ADP
admet-1879	180	36	φ+b	φ+b	NUM
admet-1879	180	37	increases	increase	NOUN
admet-1879	180	38	.	.	PUNCT
admet-1879	181	1	the	the	DET
admet-1879	181	2	trend	trend	NOUN
admet-1879	181	3	in	in	ADP
admet-1879	181	4	the	the	DET
admet-1879	181	5	c1	c1	PROPN
admet-1879	181	6	coefficients	coefficient	NOUN
admet-1879	181	7	(	(	PUNCT
admet-1879	181	8	lipophilicity	lipophilicity	NOUN
admet-1879	181	9	factors	factor	NOUN
admet-1879	181	10	)	)	PUNCT
admet-1879	181	11	was	be	AUX
admet-1879	181	12	that	that	PRON
admet-1879	181	13	of	of	ADP
admet-1879	181	14	an	an	DET
admet-1879	181	15	increasing	increase	VERB
admet-1879	181	16	exponential	exponential	ADJ
admet-1879	181	17	function	function	NOUN
admet-1879	181	18	,	,	PUNCT
admet-1879	181	19	indicating	indicate	VERB
admet-1879	181	20	a	a	DET
admet-1879	181	21	decreasing	decrease	VERB
admet-1879	181	22	influence	influence	NOUN
admet-1879	181	23	due	due	ADP
admet-1879	181	24	to	to	ADP
admet-1879	181	25	lipophilicity	lipophilicity	NOUN
admet-1879	181	26	as	as	ADP
admet-1879	181	27	φ+b	φ+b	NUM
admet-1879	181	28	increases	increase	NOUN
admet-1879	181	29	.	.	PUNCT
admet-1879	182	1	the	the	DET
admet-1879	182	2	slightly	slightly	ADV
admet-1879	182	3	increasing	increase	VERB
admet-1879	182	4	c2	c2	PROPN
admet-1879	182	5	coefficients	coefficient	NOUN
admet-1879	182	6	(	(	PUNCT
admet-1879	182	7	crystal	crystal	NOUN
admet-1879	182	8	lattice	lattice	PROPN
admet-1879	182	9	effect	effect	NOUN
admet-1879	182	10	)	)	PUNCT
admet-1879	182	11	could	could	AUX
admet-1879	182	12	be	be	AUX
admet-1879	182	13	fit	fit	ADJ
admet-1879	182	14	to	to	ADP
admet-1879	182	15	an	an	DET
admet-1879	182	16	ascending	ascend	VERB
admet-1879	182	17	linear	linear	NOUN
admet-1879	182	18	form	form	NOUN
admet-1879	182	19	as	as	ADP
admet-1879	182	20	a	a	DET
admet-1879	182	21	function	function	NOUN
admet-1879	182	22	of	of	ADP
admet-1879	182	23	φ+b	φ+b	NUM
admet-1879	182	24	.	.	PUNCT
admet-1879	183	1	apparently	apparently	ADV
admet-1879	183	2	,	,	PUNCT
admet-1879	183	3	crystal	crystal	PROPN
admet-1879	183	4	lattice	lattice	PROPN
admet-1879	183	5	contributions	contribution	NOUN
admet-1879	183	6	are	be	AUX
admet-1879	183	7	not	not	PART
admet-1879	183	8	appreciably	appreciably	ADV
admet-1879	183	9	altered	alter	VERB
admet-1879	183	10	by	by	ADP
admet-1879	183	11	molecular	molecular	ADJ
admet-1879	183	12	flexibility	flexibility	NOUN
admet-1879	183	13	and	and	CCONJ
admet-1879	183	14	h	h	NOUN
admet-1879	183	15	-	-	PUNCT
admet-1879	183	16	bond	bond	NOUN
admet-1879	183	17	acceptor	acceptor	NOUN
admet-1879	183	18	character	character	NOUN
admet-1879	183	19	,	,	PUNCT
admet-1879	183	20	and	and	CCONJ
admet-1879	183	21	trend	trend	NOUN
admet-1879	183	22	near	near	ADP
admet-1879	183	23	the	the	DET
admet-1879	183	24	traditional	traditional	ADJ
admet-1879	183	25	value	value	NOUN
admet-1879	183	26	(	(	PUNCT
admet-1879	183	27	-0.01	-0.01	NOUN
admet-1879	183	28	)	)	PUNCT
admet-1879	183	29	in	in	ADP
admet-1879	183	30	eq	eq	ADP
admet-1879	183	31	.	.	PUNCT
admet-1879	184	1	(	(	PUNCT
admet-1879	184	2	1	1	NUM
admet-1879	184	3	)	)	PUNCT
admet-1879	184	4	.	.	PUNCT
admet-1879	185	1	evidently	evidently	ADV
admet-1879	185	2	,	,	PUNCT
admet-1879	185	3	solubility	solubility	NOUN
admet-1879	185	4	dependence	dependence	NOUN
admet-1879	185	5	on	on	ADP
admet-1879	185	6	flexibility	flexibility	NOUN
admet-1879	185	7	and	and	CCONJ
admet-1879	185	8	h	h	NOUN
admet-1879	185	9	-	-	PUNCT
admet-1879	185	10	bond	bond	NOUN
admet-1879	185	11	acceptor	acceptor	NOUN
admet-1879	185	12	strength	strength	NOUN
admet-1879	185	13	are	be	AUX
admet-1879	185	14	mediated	mediate	VERB
admet-1879	185	15	by	by	ADP
admet-1879	185	16	solution	solution	NOUN
admet-1879	185	17	-	-	PUNCT
admet-1879	185	18	phase	phase	NOUN
admet-1879	185	19	interactions	interaction	NOUN
admet-1879	185	20	[	[	X
admet-1879	185	21	46	46	NUM
admet-1879	185	22	]	]	PUNCT
admet-1879	185	23	.	.	PUNCT
admet-1879	186	1	table	table	NOUN
admet-1879	186	2	2	2	NUM
admet-1879	186	3	summarizes	summarize	NOUN
admet-1879	186	4	the	the	DET
admet-1879	186	5	most	most	ADV
admet-1879	186	6	-	-	PUNCT
admet-1879	186	7	recently	recently	ADV
admet-1879	186	8	trained	train	VERB
admet-1879	186	9	gse(φ	gse(φ	PROPN
admet-1879	186	10	,	,	PUNCT
admet-1879	186	11	b	b	NOUN
admet-1879	186	12	)	)	PUNCT
admet-1879	186	13	parameters	parameter	NOUN
admet-1879	186	14	.	.	PUNCT
admet-1879	187	1	table	table	NOUN
admet-1879	187	2	2	2	NUM
admet-1879	187	3	.	.	PUNCT
admet-1879	187	4	flexible	flexible	ADJ
admet-1879	187	5	-	-	PUNCT
admet-1879	187	6	acceptor	acceptor	NOUN
admet-1879	187	7	model	model	NOUN
admet-1879	187	8	,	,	PUNCT
admet-1879	187	9	gse(φ	gse(φ	PROPN
admet-1879	187	10	,	,	PUNCT
admet-1879	187	11	b)a	b)a	X
admet-1879	187	12	log	log	NOUN
admet-1879	187	13	s0	s0	PROPN
admet-1879	187	14	gse(φ	gse(φ	PROPN
admet-1879	187	15	,	,	PUNCT
admet-1879	187	16	b	b	NOUN
admet-1879	187	17	)	)	PUNCT
admet-1879	187	18	=	=	SYM
admet-1879	187	19	c0	c0	PROPN
admet-1879	187	20	+	+	CCONJ
admet-1879	187	21	c1	c1	PROPN
admet-1879	187	22	clog	clog	VERB
admet-1879	187	23	p	p	PROPN
admet-1879	188	1	+	+	PROPN
admet-1879	188	2	c2	c2	PROPN
admet-1879	188	3	(	(	PUNCT
admet-1879	188	4	mp-25)/100	mp-25)/100	PROPN
admet-1879	188	5	coefficients	coefficient	VERB
admet-1879	188	6	pearson	pearson	PROPN
admet-1879	188	7	r2	r2	PROPN
admet-1879	188	8	rmse	rmse	PROPN
admet-1879	188	9	number	number	NOUN
admet-1879	188	10	of	of	ADP
admet-1879	188	11	bins	bin	NOUN
admet-1879	188	12	c0	c0	NOUN
admet-1879	188	13	=	=	PUNCT
admet-1879	188	14	–	–	PUNCT
admet-1879	188	15	4.456	4.456	NUM
admet-1879	188	16	+	+	CCONJ
admet-1879	188	17	6.049	6.049	NUM
admet-1879	188	18	e–0.0817(φ	e–0.0817(φ	NOUN
admet-1879	188	19	,	,	PUNCT
admet-1879	188	20	b	b	NOUN
admet-1879	188	21	)	)	PUNCT
admet-1879	188	22	0.93	0.93	NUM
admet-1879	188	23	0.41	0.41	NUM
admet-1879	188	24	20	20	NUM
admet-1879	188	25	c1	c1	NOUN
admet-1879	188	26	=	=	PUNCT
admet-1879	188	27	–	–	PUNCT
admet-1879	188	28	1.326	1.326	NUM
admet-1879	188	29	+	+	NUM
admet-1879	188	30	1.058	1.058	NUM
admet-1879	188	31	(	(	PUNCT
admet-1879	188	32	1	1	NUM
admet-1879	188	33	e–0.1226(φ	e–0.1226(φ	NOUN
admet-1879	188	34	,	,	PUNCT
admet-1879	188	35	b	b	NOUN
admet-1879	188	36	)	)	PUNCT
admet-1879	188	37	)	)	PUNCT
admet-1879	188	38	0.89	0.89	NUM
admet-1879	188	39	0.09	0.09	NUM
admet-1879	188	40	20	20	NUM
admet-1879	188	41	c2	c2	PROPN
admet-1879	188	42	=	=	PUNCT
admet-1879	188	43	–	–	PUNCT
admet-1879	188	44	0.941	0.941	NUM
admet-1879	188	45	+	+	CCONJ
admet-1879	188	46	0.0389(φ	0.0389(φ	NOUN
admet-1879	188	47	,	,	PUNCT
admet-1879	188	48	b	b	NOUN
admet-1879	188	49	)	)	PUNCT
admet-1879	188	50	0.55	0.55	NUM
admet-1879	188	51	0.27	0.27	NUM
admet-1879	188	52	20	20	NUM
admet-1879	188	53	ab0	ab0	NOUN
admet-1879	188	54	-	-	PUNCT
admet-1879	188	55	b7	b7	PROPN
admet-1879	188	56	coefficients	coefficient	NOUN
admet-1879	188	57	in	in	ADP
admet-1879	188	58	eq	eq	ADP
admet-1879	188	59	.	.	PUNCT
admet-1879	189	1	(	(	PUNCT
admet-1879	189	2	3	3	X
admet-1879	189	3	)	)	PUNCT
admet-1879	189	4	determined	determine	VERB
admet-1879	189	5	for	for	ADP
admet-1879	189	6	the	the	DET
admet-1879	189	7	wiki	wiki	NOUN
admet-1879	189	8	-	-	PUNCT
admet-1879	189	9	ps0	ps0	ADJ
admet-1879	189	10	database	database	NOUN
admet-1879	189	11	,	,	PUNCT
admet-1879	189	12	using	use	VERB
admet-1879	189	13	pls	pls	PROPN
admet-1879	189	14	regression	regression	NOUN
admet-1879	189	15	:	:	PUNCT
admet-1879	189	16	open	open	ADJ
admet-1879	189	17	-	-	PUNCT
admet-1879	189	18	source	source	NOUN
admet-1879	189	19	package	package	NOUN
admet-1879	189	20	from	from	ADP
admet-1879	189	21	https://cran.r-project.org/web/packages/pls	https://cran.r-project.org/web/packages/pls	NOUN
admet-1879	189	22	.	.	PUNCT
admet-1879	190	1	https://cran.r-project.org/web/packages/pls	https://cran.r-project.org/web/packages/pls	PROPN
admet-1879	190	2	https://cran.r-project.org/web/packages/pls	https://cran.r-project.org/web/packages/pls	PROPN
admet-1879	190	3	admet	admet	PROPN
admet-1879	190	4	&	&	CCONJ
admet-1879	190	5	dmpk	dmpk	PROPN
admet-1879	190	6	11(3	11(3	NUM
admet-1879	190	7	)	)	PUNCT
admet-1879	190	8	(	(	PUNCT
admet-1879	190	9	2023	2023	NUM
admet-1879	190	10	)	)	PUNCT
admet-1879	190	11	317	317	NUM
admet-1879	190	12	-	-	SYM
admet-1879	190	13	330	330	NUM
admet-1879	190	14	mechanistically	mechanistically	ADV
admet-1879	190	15	transparent	transparent	ADJ
admet-1879	190	16	models	model	NOUN
admet-1879	190	17	for	for	ADP
admet-1879	190	18	predicting	predict	VERB
admet-1879	190	19	aqueous	aqueous	ADJ
admet-1879	190	20	solubility	solubility	NOUN
admet-1879	190	21	doi	doi	NOUN
admet-1879	190	22	:	:	PUNCT
admet-1879	190	23	https://doi.org/10.5599/admet.1879	https://doi.org/10.5599/admet.1879	NOUN
admet-1879	190	24	323	323	NUM
admet-1879	190	25	the	the	DET
admet-1879	190	26	consensus	consensus	NOUN
admet-1879	190	27	prediction	prediction	NOUN
admet-1879	190	28	equation	equation	NOUN
admet-1879	190	29	is	be	AUX
admet-1879	190	30	simple	simple	ADJ
admet-1879	190	31	in	in	ADP
admet-1879	190	32	form	form	NOUN
admet-1879	190	33	and	and	CCONJ
admet-1879	190	34	can	can	AUX
admet-1879	190	35	be	be	AUX
admet-1879	190	36	easily	easily	ADV
admet-1879	190	37	incorporated	incorporate	VERB
admet-1879	190	38	into	into	ADP
admet-1879	190	39	spreadsheet	spreadsheet	NOUN
admet-1879	190	40	calculations	calculation	NOUN
admet-1879	190	41	(	(	PUNCT
admet-1879	190	42	using	use	VERB
admet-1879	190	43	the	the	DET
admet-1879	190	44	parameters	parameter	NOUN
admet-1879	190	45	in	in	ADP
admet-1879	190	46	tables	table	NOUN
admet-1879	190	47	1	1	NUM
admet-1879	190	48	and	and	CCONJ
admet-1879	190	49	2	2	NUM
admet-1879	190	50	)	)	PUNCT
admet-1879	190	51	,	,	PUNCT
admet-1879	190	52	which	which	PRON
admet-1879	190	53	is	be	AUX
admet-1879	190	54	not	not	PART
admet-1879	190	55	the	the	DET
admet-1879	190	56	case	case	NOUN
admet-1879	190	57	for	for	ADP
admet-1879	190	58	the	the	DET
admet-1879	190	59	rfr	rfr	PROPN
admet-1879	190	60	model	model	NOUN
admet-1879	190	61	.	.	PUNCT
admet-1879	191	1	aside	aside	ADV
admet-1879	191	2	from	from	ADP
admet-1879	191	3	opaqueness	opaqueness	NOUN
admet-1879	191	4	,	,	PUNCT
admet-1879	191	5	there	there	PRON
admet-1879	191	6	are	be	VERB
admet-1879	191	7	other	other	ADJ
admet-1879	191	8	limitations	limitation	NOUN
admet-1879	191	9	to	to	ADP
admet-1879	191	10	rfr	rfr	PROPN
admet-1879	191	11	.	.	PUNCT
admet-1879	192	1	since	since	SCONJ
admet-1879	192	2	the	the	DET
admet-1879	192	3	prediction	prediction	NOUN
admet-1879	192	4	is	be	AUX
admet-1879	192	5	the	the	DET
admet-1879	192	6	average	average	ADJ
admet-1879	192	7	log	log	NOUN
admet-1879	192	8	s0	s0	NOUN
admet-1879	192	9	value	value	NOUN
admet-1879	192	10	of	of	ADP
admet-1879	192	11	several	several	ADJ
admet-1879	192	12	training	training	NOUN
admet-1879	192	13	set	set	VERB
admet-1879	192	14	molecules	molecule	NOUN
admet-1879	192	15	with	with	ADP
admet-1879	192	16	descriptors	descriptor	NOUN
admet-1879	192	17	most	most	ADV
admet-1879	192	18	like	like	ADP
admet-1879	192	19	those	those	PRON
admet-1879	192	20	of	of	ADP
admet-1879	192	21	the	the	DET
admet-1879	192	22	test	test	NOUN
admet-1879	192	23	compound	compound	NOUN
admet-1879	192	24	,	,	PUNCT
admet-1879	192	25	the	the	DET
admet-1879	192	26	rfr	rfr	PROPN
admet-1879	192	27	model	model	NOUN
admet-1879	192	28	,	,	PUNCT
admet-1879	192	29	as	as	SCONJ
admet-1879	192	30	it	it	PRON
admet-1879	192	31	is	be	AUX
admet-1879	192	32	currently	currently	ADV
admet-1879	192	33	implemented	implement	VERB
admet-1879	192	34	,	,	PUNCT
admet-1879	192	35	can	can	AUX
admet-1879	192	36	not	not	PART
admet-1879	192	37	extrapolate	extrapolate	VERB
admet-1879	192	38	beyond	beyond	ADP
admet-1879	192	39	its	its	PRON
admet-1879	192	40	training	training	NOUN
admet-1879	192	41	space	space	NOUN
admet-1879	192	42	.	.	PUNCT
admet-1879	193	1	so	so	ADV
admet-1879	193	2	,	,	PUNCT
admet-1879	193	3	for	for	ADP
admet-1879	193	4	molecules	molecule	NOUN
admet-1879	193	5	much	much	ADV
admet-1879	193	6	less	less	ADV
admet-1879	193	7	soluble	soluble	ADJ
admet-1879	193	8	than	than	ADP
admet-1879	193	9	those	those	PRON
admet-1879	193	10	in	in	ADP
admet-1879	193	11	the	the	DET
admet-1879	193	12	training	training	NOUN
admet-1879	193	13	set	set	NOUN
admet-1879	193	14	,	,	PUNCT
admet-1879	193	15	the	the	DET
admet-1879	193	16	prediction	prediction	NOUN
admet-1879	193	17	always	always	ADV
admet-1879	193	18	overestimates	overestimate	VERB
admet-1879	193	19	the	the	DET
admet-1879	193	20	solubility	solubility	NOUN
admet-1879	193	21	.	.	PUNCT
admet-1879	194	1	consequently	consequently	ADV
admet-1879	194	2	,	,	PUNCT
admet-1879	194	3	if	if	SCONJ
admet-1879	194	4	a	a	DET
admet-1879	194	5	test	test	NOUN
admet-1879	194	6	molecule	molecule	NOUN
admet-1879	194	7	is	be	AUX
admet-1879	194	8	also	also	ADV
admet-1879	194	9	inadvertently	inadvertently	ADV
admet-1879	194	10	included	include	VERB
admet-1879	194	11	in	in	ADP
admet-1879	194	12	the	the	DET
admet-1879	194	13	training	training	NOUN
admet-1879	194	14	set	set	NOUN
admet-1879	194	15	,	,	PUNCT
admet-1879	194	16	rfr	rfr	PROPN
admet-1879	194	17	will	will	AUX
admet-1879	194	18	very	very	ADV
admet-1879	194	19	likely	likely	ADV
admet-1879	194	20	present	present	VERB
admet-1879	194	21	the	the	DET
admet-1879	194	22	experimental	experimental	ADJ
admet-1879	194	23	value	value	NOUN
admet-1879	194	24	as	as	ADP
admet-1879	194	25	the	the	DET
admet-1879	194	26	prediction	prediction	NOUN
admet-1879	194	27	.	.	PUNCT
admet-1879	195	1	consensus	consensus	NOUN
admet-1879	195	2	vs.	vs.	ADP
admet-1879	195	3	exclusive	exclusive	ADJ
admet-1879	195	4	or	or	CCONJ
admet-1879	195	5	(	(	PUNCT
admet-1879	195	6	xor	xor	PROPN
admet-1879	195	7	)	)	PUNCT
admet-1879	195	8	models	model	NOUN
admet-1879	195	9	in	in	ADP
admet-1879	195	10	prediction	prediction	NOUN
admet-1879	195	11	of	of	ADP
admet-1879	195	12	the	the	DET
admet-1879	195	13	solubility	solubility	NOUN
admet-1879	195	14	of	of	ADP
admet-1879	195	15	newly	newly	ADV
admet-1879	195	16	-	-	PUNCT
admet-1879	195	17	approved	approve	VERB
admet-1879	195	18	drugs	drug	NOUN
admet-1879	195	19	[	[	X
admet-1879	195	20	19,20	19,20	X
admet-1879	195	21	]	]	PUNCT
admet-1879	195	22	,	,	PUNCT
admet-1879	195	23	the	the	DET
admet-1879	195	24	rfr	rfr	PROPN
admet-1879	195	25	and	and	CCONJ
admet-1879	195	26	gse(φ	gse(φ	PROPN
admet-1879	195	27	,	,	PUNCT
admet-1879	195	28	b	b	NOUN
admet-1879	195	29	)	)	PUNCT
admet-1879	195	30	models	model	NOUN
admet-1879	195	31	outperformed	outperform	VERB
admet-1879	195	32	the	the	DET
admet-1879	195	33	gse(classic	gse(classic	NOUN
admet-1879	195	34	)	)	PUNCT
admet-1879	195	35	and	and	CCONJ
admet-1879	195	36	absolv(grp	absolv(grp	PROPN
admet-1879	195	37	)	)	PUNCT
admet-1879	195	38	models	model	NOUN
admet-1879	195	39	in	in	ADP
admet-1879	195	40	most	most	ADJ
admet-1879	195	41	of	of	ADP
admet-1879	195	42	the	the	DET
admet-1879	195	43	metrics	metric	NOUN
admet-1879	195	44	,	,	PUNCT
admet-1879	195	45	as	as	SCONJ
admet-1879	195	46	noted	note	VERB
admet-1879	195	47	above	above	ADV
admet-1879	195	48	.	.	PUNCT
admet-1879	196	1	as	as	ADP
admet-1879	196	2	a	a	DET
admet-1879	196	3	bonus	bonus	NOUN
admet-1879	196	4	,	,	PUNCT
admet-1879	196	5	the	the	DET
admet-1879	196	6	consensus	consensus	NOUN
admet-1879	196	7	model	model	NOUN
admet-1879	196	8	based	base	VERB
admet-1879	196	9	on	on	ADP
admet-1879	196	10	the	the	DET
admet-1879	196	11	average	average	NOUN
admet-1879	196	12	of	of	ADP
admet-1879	196	13	gse(φ	gse(φ	PROPN
admet-1879	196	14	,	,	PUNCT
admet-1879	196	15	b	b	NOUN
admet-1879	196	16	)	)	PUNCT
admet-1879	196	17	and	and	CCONJ
admet-1879	196	18	absolv(grp	absolv(grp	PROPN
admet-1879	196	19	)	)	PUNCT
admet-1879	196	20	,	,	PUNCT
admet-1879	196	21	slightly	slightly	ADV
admet-1879	196	22	outperformed	outperform	VERB
admet-1879	196	23	the	the	DET
admet-1879	196	24	rfr	rfr	PROPN
admet-1879	196	25	method	method	NOUN
admet-1879	196	26	in	in	ADP
admet-1879	196	27	one	one	NUM
admet-1879	196	28	study	study	NOUN
admet-1879	196	29	[	[	X
admet-1879	196	30	19	19	NUM
admet-1879	196	31	]	]	PUNCT
admet-1879	196	32	.	.	PUNCT
admet-1879	197	1	in	in	ADP
admet-1879	197	2	this	this	DET
admet-1879	197	3	last	last	ADJ
admet-1879	197	4	section	section	NOUN
admet-1879	197	5	,	,	PUNCT
admet-1879	197	6	we	we	PRON
admet-1879	197	7	put	put	VERB
admet-1879	197	8	the	the	DET
admet-1879	197	9	rfr	rfr	PROPN
admet-1879	197	10	aside	aside	ADV
admet-1879	197	11	,	,	PUNCT
admet-1879	197	12	after	after	ADP
admet-1879	197	13	having	having	AUX
admet-1879	197	14	used	use	VERB
admet-1879	197	15	it	it	PRON
admet-1879	197	16	as	as	ADP
admet-1879	197	17	a	a	DET
admet-1879	197	18	valuable	valuable	ADJ
admet-1879	197	19	benchmark	benchmark	NOUN
admet-1879	197	20	.	.	PUNCT
admet-1879	198	1	instead	instead	ADV
admet-1879	198	2	,	,	PUNCT
admet-1879	198	3	we	we	PRON
admet-1879	198	4	focus	focus	VERB
admet-1879	198	5	on	on	ADP
admet-1879	198	6	developing	develop	VERB
admet-1879	198	7	a	a	DET
admet-1879	198	8	decision	decision	NOUN
admet-1879	198	9	tree	tree	NOUN
admet-1879	198	10	to	to	PART
admet-1879	198	11	identify	identify	VERB
admet-1879	198	12	simple	simple	ADJ
admet-1879	198	13	mechanistically	mechanistically	ADV
admet-1879	198	14	transparent	transparent	ADJ
admet-1879	198	15	and	and	CCONJ
admet-1879	198	16	easy	easy	ADJ
admet-1879	198	17	-	-	PUNCT
admet-1879	198	18	to	to	PART
admet-1879	198	19	-	-	PUNCT
admet-1879	198	20	understand	understand	VERB
admet-1879	198	21	models	model	NOUN
admet-1879	198	22	based	base	VERB
admet-1879	198	23	mainly	mainly	ADV
admet-1879	198	24	on	on	ADP
admet-1879	198	25	gse(φ	gse(φ	PROPN
admet-1879	198	26	,	,	PUNCT
admet-1879	198	27	b	b	NOUN
admet-1879	198	28	)	)	PUNCT
admet-1879	198	29	and	and	CCONJ
admet-1879	198	30	absolv(grp	absolv(grp	PROPN
admet-1879	198	31	)	)	PUNCT
admet-1879	199	1	[	[	X
admet-1879	199	2	5	5	NUM
admet-1879	199	3	]	]	PUNCT
admet-1879	199	4	.	.	PUNCT
admet-1879	200	1	as	as	SCONJ
admet-1879	200	2	we	we	PRON
admet-1879	200	3	checked	check	VERB
admet-1879	200	4	specific	specific	ADJ
admet-1879	200	5	molecules	molecule	NOUN
admet-1879	200	6	over	over	ADP
admet-1879	200	7	the	the	DET
admet-1879	200	8	entire	entire	ADJ
admet-1879	200	9	database	database	NOUN
admet-1879	200	10	ad	ad	X
admet-1879	200	11	hoc	hoc	X
admet-1879	200	12	(	(	PUNCT
admet-1879	200	13	or	or	CCONJ
admet-1879	200	14	in	in	ADP
admet-1879	200	15	the	the	DET
admet-1879	200	16	cases	case	NOUN
admet-1879	200	17	of	of	ADP
admet-1879	200	18	outliers	outlier	NOUN
admet-1879	200	19	[	[	X
admet-1879	200	20	5	5	NUM
admet-1879	200	21	]	]	PUNCT
admet-1879	200	22	,	,	PUNCT
admet-1879	200	23	discussed	discuss	VERB
admet-1879	200	24	below	below	ADV
admet-1879	200	25	)	)	PUNCT
admet-1879	200	26	,	,	PUNCT
admet-1879	200	27	we	we	PRON
admet-1879	200	28	found	find	VERB
admet-1879	200	29	that	that	SCONJ
admet-1879	200	30	the	the	DET
admet-1879	200	31	consensus	consensus	NOUN
admet-1879	200	32	model	model	NOUN
admet-1879	200	33	was	be	AUX
admet-1879	200	34	not	not	PART
admet-1879	200	35	always	always	ADV
admet-1879	200	36	the	the	DET
admet-1879	200	37	best	good	ADJ
admet-1879	200	38	predictor	predictor	NOUN
admet-1879	200	39	.	.	PUNCT
admet-1879	201	1	for	for	ADP
admet-1879	201	2	example	example	NOUN
admet-1879	201	3	,	,	PUNCT
admet-1879	201	4	we	we	PRON
admet-1879	201	5	found	find	VERB
admet-1879	201	6	that	that	SCONJ
admet-1879	201	7	in	in	ADP
admet-1879	201	8	cases	case	NOUN
admet-1879	201	9	of	of	ADP
admet-1879	201	10	molecules	molecule	NOUN
admet-1879	201	11	with	with	ADP
admet-1879	201	12	φ	φ	PROPN
admet-1879	201	13	<	<	X
admet-1879	201	14	1.66	1.66	NUM
admet-1879	201	15	(	(	PUNCT
admet-1879	201	16	182	182	NUM
admet-1879	201	17	very	very	ADV
admet-1879	201	18	rigid	rigid	ADJ
admet-1879	201	19	molecules	molecule	NOUN
admet-1879	201	20	)	)	PUNCT
admet-1879	201	21	,	,	PUNCT
admet-1879	201	22	the	the	DET
admet-1879	201	23	yalkowsky	yalkowsky	ADJ
admet-1879	201	24	gse(classic	gse(classic	NOUN
admet-1879	201	25	)	)	PUNCT
admet-1879	201	26	was	be	AUX
admet-1879	201	27	the	the	DET
admet-1879	201	28	best	good	ADJ
admet-1879	201	29	performing	perform	VERB
admet-1879	201	30	model	model	NOUN
admet-1879	201	31	,	,	PUNCT
admet-1879	201	32	but	but	CCONJ
admet-1879	201	33	just	just	ADV
admet-1879	201	34	slightly	slightly	ADV
admet-1879	201	35	so	so	ADV
admet-1879	201	36	(	(	PUNCT
admet-1879	201	37	cf	cf	NOUN
admet-1879	201	38	.	.	PUNCT
admet-1879	201	39	table	table	NOUN
admet-1879	201	40	3	3	NUM
admet-1879	201	41	,	,	PUNCT
admet-1879	201	42	and	and	CCONJ
admet-1879	201	43	fig	fig	NOUN
admet-1879	201	44	.	.	PUNCT
admet-1879	202	1	2	2	NUM
admet-1879	202	2	)	)	PUNCT
admet-1879	202	3	.	.	PUNCT
admet-1879	203	1	also	also	ADV
admet-1879	203	2	,	,	PUNCT
admet-1879	203	3	it	it	PRON
admet-1879	203	4	is	be	AUX
admet-1879	203	5	uncommon	uncommon	ADJ
admet-1879	203	6	to	to	PART
admet-1879	203	7	find	find	VERB
admet-1879	203	8	an	an	DET
admet-1879	203	9	example	example	NOUN
admet-1879	203	10	of	of	ADP
admet-1879	203	11	a	a	DET
admet-1879	203	12	better	well	ADJ
admet-1879	203	13	simple	simple	ADJ
admet-1879	203	14	predictor	predictor	NOUN
admet-1879	203	15	than	than	ADP
admet-1879	203	16	the	the	DET
admet-1879	203	17	gse(φ	gse(φ	PROPN
admet-1879	203	18	,	,	PUNCT
admet-1879	203	19	b	b	NOUN
admet-1879	203	20	)	)	PUNCT
admet-1879	203	21	model	model	NOUN
admet-1879	203	22	for	for	ADP
admet-1879	203	23	the	the	DET
admet-1879	203	24	space	space	NOUN
admet-1879	203	25	beyond	beyond	ADP
admet-1879	203	26	φ	φ	PROPN
admet-1879	203	27	>	>	X
admet-1879	203	28	10.83	10.83	NUM
admet-1879	203	29	(	(	PUNCT
admet-1879	203	30	342	342	NUM
admet-1879	203	31	very	very	ADV
admet-1879	203	32	flexible	flexible	ADJ
admet-1879	203	33	molecules	molecule	NOUN
admet-1879	203	34	)	)	PUNCT
admet-1879	203	35	(	(	PUNCT
admet-1879	203	36	cf	cf	NOUN
admet-1879	203	37	.	.	PUNCT
admet-1879	203	38	table	table	NOUN
admet-1879	203	39	3	3	NUM
admet-1879	203	40	,	,	PUNCT
admet-1879	203	41	and	and	CCONJ
admet-1879	203	42	fig	fig	NOUN
admet-1879	203	43	.	.	PUNCT
admet-1879	204	1	2	2	NUM
admet-1879	204	2	)	)	PUNCT
admet-1879	204	3	.	.	PUNCT
admet-1879	205	1	the	the	DET
admet-1879	205	2	span	span	NOUN
admet-1879	205	3	between	between	ADP
admet-1879	205	4	φ	φ	PROPN
admet-1879	205	5	1.66	1.66	NUM
admet-1879	205	6	and	and	CCONJ
admet-1879	205	7	10.83	10.83	NUM
admet-1879	205	8	(	(	PUNCT
admet-1879	205	9	comprising	comprise	VERB
admet-1879	205	10	7144	7144	NUM
admet-1879	205	11	entries	entry	NOUN
admet-1879	205	12	–	–	PUNCT
admet-1879	205	13	most	most	ADJ
admet-1879	205	14	of	of	ADP
admet-1879	205	15	the	the	DET
admet-1879	205	16	database	database	NOUN
admet-1879	205	17	)	)	PUNCT
admet-1879	205	18	revealed	reveal	VERB
admet-1879	205	19	flipflop	flipflop	NOUN
admet-1879	205	20	in	in	ADP
admet-1879	205	21	performance	performance	NOUN
admet-1879	205	22	between	between	ADP
admet-1879	205	23	gse(φ	gse(φ	PROPN
admet-1879	205	24	,	,	PUNCT
admet-1879	205	25	b	b	NOUN
admet-1879	205	26	)	)	PUNCT
admet-1879	205	27	and	and	CCONJ
admet-1879	205	28	absolv(grp	absolv(grp	PROPN
admet-1879	205	29	)	)	PUNCT
admet-1879	205	30	.	.	PUNCT
admet-1879	206	1	either	either	CCONJ
admet-1879	206	2	the	the	DET
admet-1879	206	3	latter	latter	ADJ
admet-1879	206	4	or	or	CCONJ
admet-1879	206	5	the	the	DET
admet-1879	206	6	former	former	ADJ
admet-1879	206	7	was	be	AUX
admet-1879	206	8	the	the	DET
admet-1879	206	9	best	good	ADJ
admet-1879	206	10	performer	performer	NOUN
admet-1879	206	11	,	,	PUNCT
admet-1879	206	12	i.e.	i.e.	X
admet-1879	206	13	an	an	DET
admet-1879	206	14	‘	'	PUNCT
admet-1879	206	15	exclusive	exclusive	ADJ
admet-1879	206	16	or	or	CCONJ
admet-1879	206	17	’	'	PUNCT
admet-1879	206	18	(	(	PUNCT
admet-1879	206	19	xor	xor	NOUN
admet-1879	206	20	)	)	PUNCT
admet-1879	206	21	behavior	behavior	NOUN
admet-1879	206	22	.	.	PUNCT
admet-1879	207	1	how	how	SCONJ
admet-1879	207	2	could	could	AUX
admet-1879	207	3	one	one	PRON
admet-1879	207	4	justify	justify	VERB
admet-1879	207	5	choosing	choose	VERB
admet-1879	207	6	the	the	DET
admet-1879	207	7	individual	individual	ADJ
admet-1879	207	8	models	model	NOUN
admet-1879	207	9	over	over	ADP
admet-1879	207	10	the	the	DET
admet-1879	207	11	consensus	consensus	NOUN
admet-1879	207	12	model	model	NOUN
admet-1879	207	13	?	?	PUNCT
admet-1879	208	1	insights	insight	NOUN
admet-1879	208	2	to	to	ADP
admet-1879	208	3	a	a	DET
admet-1879	208	4	possible	possible	ADJ
admet-1879	208	5	answer	answer	NOUN
admet-1879	208	6	to	to	ADP
admet-1879	208	7	the	the	DET
admet-1879	208	8	above	above	ADJ
admet-1879	208	9	question	question	NOUN
admet-1879	208	10	may	may	AUX
admet-1879	208	11	be	be	AUX
admet-1879	208	12	revealed	reveal	VERB
admet-1879	208	13	by	by	ADP
admet-1879	208	14	further	far	ADV
admet-1879	208	15	scrutinizing	scrutinize	VERB
admet-1879	208	16	the	the	DET
admet-1879	208	17	performances	performance	NOUN
admet-1879	208	18	of	of	ADP
admet-1879	208	19	gse(classic	gse(classic	NOUN
admet-1879	208	20	)	)	PUNCT
admet-1879	208	21	,	,	PUNCT
admet-1879	208	22	absolv(grp	absolv(grp	PROPN
admet-1879	208	23	)	)	PUNCT
admet-1879	208	24	and	and	CCONJ
admet-1879	208	25	gse(φ	gse(φ	PROPN
admet-1879	208	26	,	,	PUNCT
admet-1879	208	27	b	b	NOUN
admet-1879	208	28	)	)	PUNCT
admet-1879	208	29	models	model	NOUN
admet-1879	208	30	in	in	ADP
admet-1879	208	31	the	the	DET
admet-1879	208	32	entire	entire	ADJ
admet-1879	208	33	wiki	wiki	NOUN
admet-1879	208	34	-	-	PUNCT
admet-1879	208	35	ps0	ps0	ADJ
admet-1879	208	36	database	database	NOUN
admet-1879	208	37	.	.	PUNCT
admet-1879	209	1	to	to	PART
admet-1879	209	2	start	start	VERB
admet-1879	209	3	,	,	PUNCT
admet-1879	209	4	all	all	DET
admet-1879	209	5	the	the	DET
admet-1879	209	6	entries	entry	NOUN
admet-1879	209	7	in	in	ADP
admet-1879	209	8	the	the	DET
admet-1879	209	9	database	database	NOUN
admet-1879	209	10	were	be	AUX
admet-1879	209	11	sorted	sort	VERB
admet-1879	209	12	on	on	ADP
admet-1879	209	13	φ	φ	PROPN
admet-1879	209	14	into	into	ADP
admet-1879	209	15	19	19	NUM
admet-1879	209	16	bins	bin	NOUN
admet-1879	209	17	of	of	ADP
admet-1879	209	18	near	near	ADP
admet-1879	209	19	similar	similar	ADJ
admet-1879	209	20	values	value	NOUN
admet-1879	209	21	of	of	ADP
admet-1879	209	22	φ	φ	PROPN
admet-1879	209	23	.	.	PUNCT
admet-1879	210	1	in	in	ADP
admet-1879	210	2	each	each	DET
admet-1879	210	3	bin	bin	NOUN
admet-1879	210	4	for	for	ADP
admet-1879	210	5	each	each	PRON
admet-1879	210	6	of	of	ADP
admet-1879	210	7	the	the	DET
admet-1879	210	8	models	model	NOUN
admet-1879	210	9	,	,	PUNCT
admet-1879	210	10	the	the	DET
admet-1879	210	11	rmse	rmse	ADJ
admet-1879	210	12	value	value	NOUN
admet-1879	210	13	was	be	AUX
admet-1879	210	14	calculated	calculate	VERB
admet-1879	210	15	.	.	PUNCT
admet-1879	211	1	table	table	NOUN
admet-1879	211	2	3	3	NUM
admet-1879	211	3	shows	show	VERB
admet-1879	211	4	the	the	DET
admet-1879	211	5	bin	bin	PROPN
admet-1879	211	6	errors	error	NOUN
admet-1879	211	7	distributions	distribution	NOUN
admet-1879	211	8	.	.	PUNCT
admet-1879	212	1	figure	figure	NOUN
admet-1879	212	2	1	1	NUM
admet-1879	212	3	illustrates	illustrate	VERB
admet-1879	212	4	the	the	DET
admet-1879	212	5	distribution	distribution	NOUN
admet-1879	212	6	of	of	ADP
admet-1879	212	7	φavg	φavg	NOUN
admet-1879	212	8	counts	count	NOUN
admet-1879	212	9	in	in	ADP
admet-1879	212	10	the	the	DET
admet-1879	212	11	bins	bin	NOUN
admet-1879	212	12	.	.	PUNCT
admet-1879	213	1	figure	figure	NOUN
admet-1879	213	2	1	1	NUM
admet-1879	213	3	.	.	PUNCT
admet-1879	214	1	distribution	distribution	NOUN
admet-1879	214	2	of	of	ADP
admet-1879	214	3	the	the	DET
admet-1879	214	4	bin	bin	NOUN
admet-1879	214	5	-	-	ADJ
admet-1879	214	6	average	average	ADJ
admet-1879	214	7	values	value	NOUN
admet-1879	214	8	of	of	ADP
admet-1879	214	9	the	the	DET
admet-1879	214	10	molecular	molecular	ADJ
admet-1879	214	11	flexibility	flexibility	NOUN
admet-1879	214	12	indices	index	NOUN
admet-1879	214	13	,	,	PUNCT
admet-1879	214	14	φavg	φavg	NOUN
admet-1879	214	15	(	(	PUNCT
admet-1879	214	16	table	table	NOUN
admet-1879	214	17	3	3	NUM
admet-1879	214	18	)	)	PUNCT
admet-1879	214	19	.	.	PUNCT
admet-1879	215	1	https://doi.org/10.5599/admet.1879	https://doi.org/10.5599/admet.1879	PROPN
admet-1879	215	2	a.	a.	PROPN
admet-1879	215	3	avdeef	avdeef	PROPN
admet-1879	215	4	admet	admet	PROPN
admet-1879	215	5	&	&	CCONJ
admet-1879	215	6	dmpk	dmpk	PROPN
admet-1879	215	7	11(3	11(3	NUM
admet-1879	215	8	)	)	PUNCT
admet-1879	215	9	(	(	PUNCT
admet-1879	215	10	2023	2023	NUM
admet-1879	215	11	)	)	PUNCT
admet-1879	215	12	317	317	NUM
admet-1879	215	13	-	-	SYM
admet-1879	215	14	330	330	NUM
admet-1879	215	15	324	324	NUM
admet-1879	215	16	figure	figure	NOUN
admet-1879	215	17	2	2	NUM
admet-1879	215	18	compares	compare	VERB
admet-1879	215	19	the	the	DET
admet-1879	215	20	rmse	rmse	ADJ
admet-1879	215	21	values	value	NOUN
admet-1879	215	22	distribution	distribution	NOUN
admet-1879	215	23	of	of	ADP
admet-1879	215	24	the	the	DET
admet-1879	215	25	three	three	NUM
admet-1879	215	26	models	model	NOUN
admet-1879	215	27	:	:	PUNCT
admet-1879	215	28	gse(classic	gse(classic	X
admet-1879	215	29	)	)	PUNCT
admet-1879	215	30	as	as	ADP
admet-1879	215	31	red	red	ADJ
admet-1879	215	32	curves	curve	NOUN
admet-1879	215	33	with	with	ADP
admet-1879	215	34	triangle	triangle	NOUN
admet-1879	215	35	symbols	symbol	NOUN
admet-1879	215	36	,	,	PUNCT
admet-1879	215	37	absolv(grp	absolv(grp	PROPN
admet-1879	215	38	)	)	PUNCT
admet-1879	215	39	as	as	ADP
admet-1879	215	40	blue	blue	ADJ
admet-1879	215	41	dotted	dotted	ADJ
admet-1879	215	42	curves	curve	NOUN
admet-1879	215	43	with	with	ADP
admet-1879	215	44	square	square	ADJ
admet-1879	215	45	symbols	symbol	NOUN
admet-1879	215	46	,	,	PUNCT
admet-1879	215	47	and	and	CCONJ
admet-1879	215	48	gse(φ	gse(φ	PROPN
admet-1879	215	49	,	,	PUNCT
admet-1879	215	50	b	b	NOUN
admet-1879	215	51	)	)	PUNCT
admet-1879	215	52	as	as	ADP
admet-1879	215	53	green	green	ADJ
admet-1879	215	54	curves	curve	NOUN
admet-1879	215	55	with	with	ADP
admet-1879	215	56	circle	circle	NOUN
admet-1879	215	57	symbols	symbol	NOUN
admet-1879	215	58	.	.	PUNCT
admet-1879	216	1	a	a	DET
admet-1879	216	2	decision	decision	NOUN
admet-1879	216	3	tree	tree	NOUN
admet-1879	216	4	constructed	construct	VERB
admet-1879	216	5	based	base	VERB
admet-1879	216	6	on	on	ADP
admet-1879	216	7	the	the	DET
admet-1879	216	8	crossings	crossing	NOUN
admet-1879	216	9	in	in	ADP
admet-1879	216	10	figure	figure	NOUN
admet-1879	216	11	2	2	NUM
admet-1879	216	12	is	be	AUX
admet-1879	216	13	shown	show	VERB
admet-1879	216	14	in	in	ADP
admet-1879	216	15	figure	figure	NOUN
admet-1879	216	16	3	3	NUM
admet-1879	216	17	.	.	PUNCT
admet-1879	217	1	since	since	SCONJ
admet-1879	217	2	the	the	DET
admet-1879	217	3	xor	xor	PROPN
admet-1879	217	4	model	model	NOUN
admet-1879	217	5	in	in	ADP
admet-1879	217	6	figure	figure	NOUN
admet-1879	217	7	3	3	NUM
admet-1879	217	8	is	be	AUX
admet-1879	217	9	dependent	dependent	ADJ
admet-1879	217	10	on	on	ADP
admet-1879	217	11	the	the	DET
admet-1879	217	12	types	type	NOUN
admet-1879	217	13	of	of	ADP
admet-1879	217	14	molecules	molecule	NOUN
admet-1879	217	15	within	within	ADP
admet-1879	217	16	a	a	DET
admet-1879	217	17	particular	particular	ADJ
admet-1879	217	18	bin	bin	NOUN
admet-1879	217	19	of	of	ADP
admet-1879	217	20	near	near	ADJ
admet-1879	217	21	constant	constant	ADJ
admet-1879	217	22	flexibility	flexibility	NOUN
admet-1879	217	23	,	,	PUNCT
admet-1879	217	24	and	and	CCONJ
admet-1879	217	25	since	since	SCONJ
admet-1879	217	26	different	different	ADJ
admet-1879	217	27	databases	database	NOUN
admet-1879	217	28	may	may	AUX
admet-1879	217	29	have	have	VERB
admet-1879	217	30	molecules	molecule	NOUN
admet-1879	217	31	with	with	ADP
admet-1879	217	32	differing	differ	VERB
admet-1879	217	33	properties	property	NOUN
admet-1879	217	34	in	in	ADP
admet-1879	217	35	each	each	DET
admet-1879	217	36	range	range	NOUN
admet-1879	217	37	of	of	ADP
admet-1879	217	38	φ	φ	PROPN
admet-1879	217	39	values	value	NOUN
admet-1879	217	40	,	,	PUNCT
admet-1879	217	41	it	it	PRON
admet-1879	217	42	may	may	AUX
admet-1879	217	43	be	be	AUX
admet-1879	217	44	prudent	prudent	ADJ
admet-1879	217	45	to	to	PART
admet-1879	217	46	select	select	VERB
admet-1879	217	47	the	the	DET
admet-1879	217	48	consensus	consensus	NOUN
admet-1879	217	49	model	model	NOUN
admet-1879	217	50	as	as	ADP
admet-1879	217	51	the	the	DET
admet-1879	217	52	‘	'	PUNCT
admet-1879	217	53	best	good	ADJ
admet-1879	217	54	’	'	PUNCT
admet-1879	217	55	prediction	prediction	NOUN
admet-1879	217	56	.	.	PUNCT
admet-1879	218	1	in	in	ADP
admet-1879	218	2	our	our	PRON
admet-1879	218	3	case	case	NOUN
admet-1879	218	4	of	of	ADP
admet-1879	218	5	model	model	NOUN
admet-1879	218	6	training	training	NOUN
admet-1879	218	7	,	,	PUNCT
admet-1879	218	8	the	the	DET
admet-1879	218	9	cross	cross	ADJ
admet-1879	218	10	-	-	ADJ
admet-1879	218	11	over	over	ADJ
admet-1879	218	12	points	point	NOUN
admet-1879	218	13	may	may	AUX
admet-1879	218	14	be	be	AUX
admet-1879	218	15	sufficiently	sufficiently	ADV
admet-1879	218	16	grounded	ground	VERB
admet-1879	218	17	to	to	PART
admet-1879	218	18	advance	advance	VERB
admet-1879	218	19	the	the	DET
admet-1879	218	20	xor	xor	PROPN
admet-1879	218	21	model	model	NOUN
admet-1879	218	22	as	as	ADP
admet-1879	218	23	the	the	DET
admet-1879	218	24	‘	'	PUNCT
admet-1879	218	25	best	best	NOUN
admet-1879	218	26	’	'	PUNCT
admet-1879	218	27	for	for	ADP
admet-1879	218	28	the	the	DET
admet-1879	218	29	middle	middle	ADJ
admet-1879	218	30	‘	'	PUNCT
admet-1879	218	31	consensus	consensus	NOUN
admet-1879	218	32	domain	domain	NOUN
admet-1879	218	33	’	'	PUNCT
admet-1879	218	34	(	(	PUNCT
admet-1879	218	35	cf	cf	NOUN
admet-1879	218	36	.	.	PUNCT
admet-1879	219	1	zoom	zoom	NOUN
admet-1879	219	2	view	view	NOUN
admet-1879	219	3	in	in	ADP
admet-1879	219	4	fig	fig	NOUN
admet-1879	219	5	.	.	PUNCT
admet-1879	220	1	2	2	NUM
admet-1879	220	2	)	)	PUNCT
admet-1879	220	3	.	.	PUNCT
admet-1879	221	1	this	this	PRON
admet-1879	221	2	is	be	AUX
admet-1879	221	3	especially	especially	ADV
admet-1879	221	4	so	so	ADV
admet-1879	221	5	,	,	PUNCT
admet-1879	221	6	since	since	SCONJ
admet-1879	221	7	this	this	DET
admet-1879	221	8	middle	middle	ADJ
admet-1879	221	9	domain	domain	NOUN
admet-1879	221	10	is	be	AUX
admet-1879	221	11	comprised	comprise	VERB
admet-1879	221	12	of	of	ADP
admet-1879	221	13	many	many	ADJ
admet-1879	221	14	values	value	NOUN
admet-1879	221	15	of	of	ADP
admet-1879	221	16	solubility	solubility	NOUN
admet-1879	221	17	,	,	PUNCT
admet-1879	221	18	averaging	average	VERB
admet-1879	221	19	over	over	ADP
admet-1879	221	20	1100	1100	NUM
admet-1879	221	21	entries	entry	NOUN
admet-1879	221	22	/	/	SYM
admet-1879	221	23	bin	bin	NOUN
admet-1879	221	24	for	for	ADP
admet-1879	221	25	bins	bin	NOUN
admet-1879	221	26	2	2	NUM
admet-1879	221	27	-	-	SYM
admet-1879	221	28	7	7	NUM
admet-1879	221	29	(	(	PUNCT
admet-1879	221	30	table	table	NOUN
admet-1879	221	31	3	3	NUM
admet-1879	221	32	)	)	PUNCT
admet-1879	221	33	.	.	PUNCT
admet-1879	222	1	table	table	NOUN
admet-1879	222	2	3	3	NUM
admet-1879	222	3	.	.	PUNCT
admet-1879	222	4	model	model	NOUN
admet-1879	222	5	selection	selection	NOUN
admet-1879	222	6	as	as	ADP
admet-1879	222	7	a	a	DET
admet-1879	222	8	function	function	NOUN
admet-1879	222	9	of	of	ADP
admet-1879	222	10	kier	kier	PROPN
admet-1879	222	11	flexibility	flexibility	PROPN
admet-1879	222	12	,	,	PUNCT
admet-1879	222	13	φ	φ	X
admet-1879	222	14	φavg	φavg	NOUN
admet-1879	222	15	in	in	ADP
admet-1879	222	16	bin	bin	NOUN
admet-1879	222	17	number	number	NOUN
admet-1879	222	18	of	of	ADP
admet-1879	222	19	entries	entry	NOUN
admet-1879	222	20	in	in	ADP
admet-1879	222	21	bin	bin	PROPN
admet-1879	222	22	rmse	rmse	NOUN
admet-1879	222	23	(	(	PUNCT
admet-1879	222	24	gse	gse	PROPN
admet-1879	222	25	)	)	PUNCT
admet-1879	222	26	rmse	rmse	PROPN
admet-1879	222	27	absolv	absolv	PROPN
admet-1879	222	28	(	(	PUNCT
admet-1879	222	29	grp	grp	PROPN
admet-1879	222	30	)	)	PUNCT
admet-1879	222	31	rmse	rmse	PROPN
admet-1879	222	32	gse(φ	gse(φ	PROPN
admet-1879	222	33	,	,	PUNCT
admet-1879	222	34	b	b	NOUN
admet-1879	222	35	)	)	PUNCT
admet-1879	222	36	‘	'	PUNCT
admet-1879	222	37	best	good	ADJ
admet-1879	222	38	’	'	PUNCT
admet-1879	222	39	model	model	NOUN
admet-1879	222	40	1.0	1.0	NUM
admet-1879	222	41	182	182	NUM
admet-1879	222	42	1.42	1.42	NUM
admet-1879	222	43	1.57	1.57	NUM
admet-1879	222	44	1.50	1.50	NUM
admet-1879	222	45	gse(classic	gse(classic	NOUN
admet-1879	222	46	)	)	PUNCT
admet-1879	222	47	2.0	2.0	NUM
admet-1879	222	48	1882	1882	NUM
admet-1879	222	49	1.03	1.03	NUM
admet-1879	222	50	0.987	0.987	NUM
admet-1879	222	51	0.990	0.990	NUM
admet-1879	222	52	absolv(grp	absolv(grp	NOUN
admet-1879	222	53	)	)	PUNCT
admet-1879	222	54	3.0	3.0	NUM
admet-1879	222	55	1245	1245	NUM
admet-1879	222	56	1.11	1.11	NUM
admet-1879	222	57	0.99	0.99	NUM
admet-1879	222	58	1.03	1.03	NUM
admet-1879	222	59	absolv(grp	absolv(grp	NOUN
admet-1879	222	60	)	)	PUNCT
admet-1879	222	61	4.0	4.0	NUM
admet-1879	222	62	1928	1928	NUM
admet-1879	222	63	1.06	1.06	NUM
admet-1879	222	64	1.00	1.00	NUM
admet-1879	222	65	0.95	0.95	NUM
admet-1879	222	66	gse(φ	gse(φ	PROPN
admet-1879	222	67	,	,	PUNCT
admet-1879	222	68	b	b	NOUN
admet-1879	222	69	)	)	PUNCT
admet-1879	222	70	5.0	5.0	NUM
admet-1879	222	71	539	539	NUM
admet-1879	222	72	1.37	1.37	NUM
admet-1879	222	73	1.04	1.04	NUM
admet-1879	222	74	1.17	1.17	NUM
admet-1879	222	75	absolv(grp	absolv(grp	NOUN
admet-1879	222	76	)	)	PUNCT
admet-1879	223	1	6.0	6.0	NUM
admet-1879	223	2	953	953	NUM
admet-1879	223	3	1.45	1.45	NUM
admet-1879	223	4	1.24	1.24	NUM
admet-1879	223	5	1.14	1.14	NUM
admet-1879	223	6	gse(φ	gse(φ	PROPN
admet-1879	223	7	,	,	PUNCT
admet-1879	223	8	b	b	NOUN
admet-1879	223	9	)	)	PUNCT
admet-1879	223	10	7.0	7.0	NUM
admet-1879	223	11	122	122	NUM
admet-1879	223	12	1.49	1.49	NUM
admet-1879	223	13	1.40	1.40	NUM
admet-1879	223	14	1.19	1.19	NUM
admet-1879	223	15	gse(φ	gse(φ	PROPN
admet-1879	223	16	,	,	PUNCT
admet-1879	223	17	b	b	NOUN
admet-1879	223	18	)	)	PUNCT
admet-1879	223	19	7.4	7.4	NUM
admet-1879	223	20	100	100	NUM
admet-1879	223	21	1.50	1.50	NUM
admet-1879	223	22	1.12	1.12	NUM
admet-1879	223	23	1.23	1.23	NUM
admet-1879	223	24	absolv(grp	absolv(grp	NOUN
admet-1879	223	25	)	)	PUNCT
admet-1879	223	26	7.8	7.8	NUM
admet-1879	223	27	100	100	NUM
admet-1879	223	28	1.68	1.68	NUM
admet-1879	223	29	1.50	1.50	NUM
admet-1879	223	30	1.26	1.26	NUM
admet-1879	223	31	gse(φ	gse(φ	PROPN
admet-1879	223	32	,	,	PUNCT
admet-1879	223	33	b	b	NOUN
admet-1879	223	34	)	)	PUNCT
admet-1879	223	35	8.3	8.3	NUM
admet-1879	223	36	100	100	NUM
admet-1879	223	37	2.10	2.10	NUM
admet-1879	223	38	1.37	1.37	NUM
admet-1879	223	39	1.68	1.68	NUM
admet-1879	223	40	absolv(grp	absolv(grp	NOUN
admet-1879	223	41	)	)	PUNCT
admet-1879	223	42	9.0	9.0	NUM
admet-1879	223	43	100	100	NUM
admet-1879	223	44	2.09	2.09	NUM
admet-1879	223	45	1.60	1.60	NUM
admet-1879	223	46	1.53	1.53	NUM
admet-1879	223	47	gse(φ	gse(φ	PROPN
admet-1879	223	48	,	,	PUNCT
admet-1879	223	49	b	b	NOUN
admet-1879	223	50	)	)	PUNCT
admet-1879	223	51	9.9	9.9	NUM
admet-1879	223	52	75	75	NUM
admet-1879	223	53	2.36	2.36	NUM
admet-1879	223	54	1.29	1.29	NUM
admet-1879	223	55	1.71	1.71	NUM
admet-1879	223	56	absolv(grp	absolv(grp	NOUN
admet-1879	223	57	)	)	PUNCT
admet-1879	223	58	11.0	11.0	NUM
admet-1879	223	59	75	75	NUM
admet-1879	223	60	1.75	1.75	NUM
admet-1879	223	61	1.22	1.22	NUM
admet-1879	223	62	1.15	1.15	NUM
admet-1879	223	63	gse(φ	gse(φ	PROPN
admet-1879	223	64	,	,	PUNCT
admet-1879	223	65	b	b	NOUN
admet-1879	223	66	)	)	PUNCT
admet-1879	223	67	12.7	12.7	NUM
admet-1879	223	68	75	75	NUM
admet-1879	223	69	2.12	2.12	NUM
admet-1879	223	70	1.88	1.88	NUM
admet-1879	223	71	1.64	1.64	NUM
admet-1879	223	72	14.6	14.6	NUM
admet-1879	223	73	50	50	NUM
admet-1879	223	74	1.04	1.04	NUM
admet-1879	223	75	1.22	1.22	NUM
admet-1879	223	76	0.93	0.93	NUM
admet-1879	223	77	15.7	15.7	NUM
admet-1879	223	78	50	50	NUM
admet-1879	223	79	1.12	1.12	NUM
admet-1879	223	80	1.28	1.28	NUM
admet-1879	223	81	0.91	0.91	NUM
admet-1879	223	82	18.1	18.1	NUM
admet-1879	223	83	50	50	NUM
admet-1879	223	84	1.82	1.82	NUM
admet-1879	223	85	0.93	0.93	NUM
admet-1879	223	86	0.85	0.85	NUM
admet-1879	223	87	23.6	23.6	NUM
admet-1879	223	88	25	25	NUM
admet-1879	223	89	2.55	2.55	NUM
admet-1879	223	90	2.30	2.30	NUM
admet-1879	223	91	1.01	1.01	NUM
admet-1879	223	92	31.2	31.2	NUM
admet-1879	223	93	17	17	NUM
admet-1879	223	94	5.42	5.42	NUM
admet-1879	223	95	1.69	1.69	NUM
admet-1879	223	96	1.53	1.53	NUM
admet-1879	223	97	figure	figure	NOUN
admet-1879	223	98	2	2	NUM
admet-1879	223	99	.	.	PUNCT
admet-1879	223	100	distribution	distribution	NOUN
admet-1879	223	101	of	of	ADP
admet-1879	223	102	root	root	NOUN
admet-1879	223	103	-	-	PUNCT
admet-1879	223	104	mean	mean	NOUN
admet-1879	223	105	-	-	PUNCT
admet-1879	223	106	square	square	ADJ
admet-1879	223	107	(	(	PUNCT
admet-1879	223	108	rmse	rmse	ADJ
admet-1879	223	109	)	)	PUNCT
admet-1879	223	110	values	value	NOUN
admet-1879	223	111	calculated	calculate	VERB
admet-1879	223	112	for	for	ADP
admet-1879	223	113	each	each	PRON
admet-1879	223	114	of	of	ADP
admet-1879	223	115	the	the	DET
admet-1879	223	116	bins	bin	NOUN
admet-1879	223	117	in	in	ADP
admet-1879	223	118	table	table	NOUN
admet-1879	223	119	3	3	NUM
admet-1879	223	120	,	,	PUNCT
admet-1879	223	121	as	as	ADP
admet-1879	223	122	a	a	DET
admet-1879	223	123	function	function	NOUN
admet-1879	223	124	of	of	ADP
admet-1879	223	125	kier	kier	PROPN
admet-1879	223	126	molecular	molecular	ADJ
admet-1879	223	127	flexibility	flexibility	NOUN
admet-1879	223	128	index	index	NOUN
admet-1879	223	129	,	,	PUNCT
admet-1879	223	130	φ	φ	NOUN
admet-1879	223	131	.	.	PROPN
admet-1879	224	1	for	for	ADP
admet-1879	224	2	φ	φ	PROPN
admet-1879	224	3	<	<	X
admet-1879	224	4	1.66	1.66	NUM
admet-1879	224	5	,	,	PUNCT
admet-1879	224	6	the	the	DET
admet-1879	224	7	gse	gse	NOUN
admet-1879	224	8	slightly	slightly	ADV
admet-1879	224	9	outperforms	outperform	VERB
admet-1879	224	10	the	the	DET
admet-1879	224	11	other	other	ADJ
admet-1879	224	12	two	two	NUM
admet-1879	224	13	models	model	NOUN
admet-1879	224	14	(	(	PUNCT
admet-1879	224	15	as	as	SCONJ
admet-1879	224	16	demarked	demarke	VERB
admet-1879	224	17	by	by	ADP
admet-1879	224	18	the	the	DET
admet-1879	224	19	vertical	vertical	ADJ
admet-1879	224	20	dashed	dash	VERB
admet-1879	224	21	line	line	NOUN
admet-1879	224	22	)	)	PUNCT
admet-1879	224	23	.	.	PUNCT
admet-1879	225	1	for	for	ADP
admet-1879	225	2	φ	φ	PROPN
admet-1879	225	3	>	>	X
admet-1879	225	4	10.83	10.83	NUM
admet-1879	225	5	,	,	PUNCT
admet-1879	225	6	the	the	DET
admet-1879	225	7	best	well	ADV
admet-1879	225	8	performing	perform	VERB
admet-1879	225	9	simple	simple	ADJ
admet-1879	225	10	model	model	NOUN
admet-1879	225	11	is	be	AUX
admet-1879	225	12	gse(φ	gse(φ	PROPN
admet-1879	225	13	,	,	PUNCT
admet-1879	225	14	b	b	NOUN
admet-1879	225	15	)	)	PUNCT
admet-1879	225	16	–	–	PUNCT
admet-1879	225	17	the	the	DET
admet-1879	225	18	flexible	flexible	ADJ
admet-1879	225	19	-	-	PUNCT
admet-1879	225	20	acceptor	acceptor	NOUN
admet-1879	225	21	model	model	NOUN
admet-1879	225	22	fit	fit	ADJ
admet-1879	225	23	for	for	ADP
admet-1879	225	24	flexible	flexible	ADJ
admet-1879	225	25	molecules	molecule	NOUN
admet-1879	225	26	.	.	PUNCT
admet-1879	226	1	the	the	DET
admet-1879	226	2	zoom	zoom	NOUN
admet-1879	226	3	view	view	NOUN
admet-1879	226	4	on	on	ADP
admet-1879	226	5	the	the	DET
admet-1879	226	6	left	left	ADJ
admet-1879	226	7	side	side	NOUN
admet-1879	226	8	of	of	ADP
admet-1879	226	9	the	the	DET
admet-1879	226	10	drawing	drawing	NOUN
admet-1879	226	11	illustrates	illustrate	VERB
admet-1879	226	12	the	the	DET
admet-1879	226	13	gse(φ	gse(φ	PROPN
admet-1879	226	14	,	,	PUNCT
admet-1879	226	15	b)-absolv(grp	b)-absolv(grp	NOUN
admet-1879	226	16	)	)	PUNCT
admet-1879	226	17	flip	flip	NOUN
admet-1879	226	18	-	-	PUNCT
admet-1879	226	19	flop	flop	NOUN
admet-1879	226	20	consensus	consensus	NOUN
admet-1879	226	21	domain	domain	NOUN
admet-1879	226	22	region	region	NOUN
admet-1879	226	23	.	.	PUNCT
admet-1879	227	1	admet	admet	PROPN
admet-1879	227	2	&	&	CCONJ
admet-1879	227	3	dmpk	dmpk	PROPN
admet-1879	227	4	11(3	11(3	NUM
admet-1879	227	5	)	)	PUNCT
admet-1879	227	6	(	(	PUNCT
admet-1879	227	7	2023	2023	NUM
admet-1879	227	8	)	)	PUNCT
admet-1879	227	9	317	317	NUM
admet-1879	227	10	-	-	SYM
admet-1879	227	11	330	330	NUM
admet-1879	227	12	mechanistically	mechanistically	ADV
admet-1879	227	13	transparent	transparent	ADJ
admet-1879	227	14	models	model	NOUN
admet-1879	227	15	for	for	ADP
admet-1879	227	16	predicting	predict	VERB
admet-1879	227	17	aqueous	aqueous	ADJ
admet-1879	227	18	solubility	solubility	NOUN
admet-1879	227	19	doi	doi	NOUN
admet-1879	227	20	:	:	PUNCT
admet-1879	227	21	https://doi.org/10.5599/admet.1879	https://doi.org/10.5599/admet.1879	NOUN
admet-1879	227	22	325	325	NUM
admet-1879	227	23	figure	figure	NOUN
admet-1879	227	24	3	3	NUM
admet-1879	227	25	.	.	PUNCT
admet-1879	227	26	decision	decision	NOUN
admet-1879	227	27	tree	tree	NOUN
admet-1879	227	28	for	for	ADP
admet-1879	227	29	the	the	DET
admet-1879	227	30	selection	selection	NOUN
admet-1879	227	31	of	of	ADP
admet-1879	227	32	the	the	DET
admet-1879	227	33	‘	'	PUNCT
admet-1879	227	34	best	good	ADJ
admet-1879	227	35	’	'	PUNCT
admet-1879	227	36	simple	simple	ADJ
admet-1879	227	37	method	method	NOUN
admet-1879	227	38	for	for	ADP
admet-1879	227	39	the	the	DET
admet-1879	227	40	prediction	prediction	NOUN
admet-1879	227	41	of	of	ADP
admet-1879	227	42	intrinsic	intrinsic	ADJ
admet-1879	227	43	solubility	solubility	NOUN
admet-1879	227	44	.	.	PUNCT
admet-1879	228	1	either	either	CCONJ
admet-1879	228	2	the	the	DET
admet-1879	228	3	consensus	consensus	NOUN
admet-1879	228	4	model	model	NOUN
admet-1879	228	5	may	may	AUX
admet-1879	228	6	be	be	AUX
admet-1879	228	7	sought	seek	VERB
admet-1879	228	8	for	for	ADP
admet-1879	228	9	1.95	1.95	NUM
admet-1879	228	10	≤	≤	NUM
admet-1879	228	11	φ	φ	PROPN
admet-1879	228	12	<	<	X
admet-1879	228	13	10.83	10.83	NUM
admet-1879	228	14	by	by	ADP
admet-1879	228	15	taking	take	VERB
admet-1879	228	16	the	the	DET
admet-1879	228	17	average	average	NOUN
admet-1879	228	18	of	of	ADP
admet-1879	228	19	the	the	DET
admet-1879	228	20	two	two	NUM
admet-1879	228	21	best	good	ADJ
admet-1879	228	22	values	value	NOUN
admet-1879	228	23	,	,	PUNCT
admet-1879	228	24	or	or	CCONJ
admet-1879	228	25	the	the	DET
admet-1879	228	26	xor	xor	PROPN
admet-1879	228	27	model	model	NOUN
admet-1879	228	28	may	may	AUX
admet-1879	228	29	be	be	AUX
admet-1879	228	30	invokes	invoke	NOUN
admet-1879	228	31	,	,	PUNCT
admet-1879	228	32	by	by	ADP
admet-1879	228	33	picking	pick	VERB
admet-1879	228	34	best	good	ADJ
admet-1879	228	35	of	of	ADP
admet-1879	228	36	absolv(grp	absolv(grp	PROPN
admet-1879	228	37	)	)	PUNCT
admet-1879	228	38	and	and	CCONJ
admet-1879	228	39	gse(φ	gse(φ	PROPN
admet-1879	228	40	,	,	PUNCT
admet-1879	228	41	b	b	NOUN
admet-1879	228	42	)	)	PUNCT
admet-1879	228	43	models	model	NOUN
admet-1879	228	44	.	.	PUNCT
admet-1879	229	1	testing	test	VERB
admet-1879	229	2	the	the	DET
admet-1879	229	3	decision	decision	NOUN
admet-1879	229	4	tree	tree	NOUN
admet-1879	229	5	model	model	NOUN
admet-1879	229	6	:	:	PUNCT
admet-1879	229	7	consensus	consensus	NOUN
admet-1879	229	8	vs.	vs.	ADP
admet-1879	229	9	exclusive	exclusive	ADJ
admet-1879	229	10	or	or	CCONJ
admet-1879	229	11	(	(	PUNCT
admet-1879	229	12	xor	xor	PROPN
admet-1879	229	13	)	)	PUNCT
admet-1879	229	14	variants	variant	NOUN
admet-1879	229	15	the	the	DET
admet-1879	229	16	above	above	ADJ
admet-1879	229	17	decision	decision	NOUN
admet-1879	229	18	tree	tree	NOUN
admet-1879	229	19	considers	consider	VERB
admet-1879	229	20	the	the	DET
admet-1879	229	21	prediction	prediction	NOUN
admet-1879	229	22	potential	potential	NOUN
admet-1879	229	23	from	from	ADP
admet-1879	229	24	the	the	DET
admet-1879	229	25	view	view	NOUN
admet-1879	229	26	of	of	ADP
admet-1879	229	27	the	the	DET
admet-1879	229	28	entire	entire	ADJ
admet-1879	229	29	database	database	NOUN
admet-1879	229	30	.	.	PUNCT
admet-1879	230	1	however	however	ADV
admet-1879	230	2	,	,	PUNCT
admet-1879	230	3	it	it	PRON
admet-1879	230	4	is	be	AUX
admet-1879	230	5	the	the	DET
admet-1879	230	6	performance	performance	NOUN
admet-1879	230	7	of	of	ADP
admet-1879	230	8	the	the	DET
admet-1879	230	9	predictions	prediction	NOUN
admet-1879	230	10	of	of	ADP
admet-1879	230	11	test	test	NOUN
admet-1879	230	12	set	set	VERB
admet-1879	230	13	molecules	molecule	NOUN
admet-1879	230	14	that	that	PRON
admet-1879	230	15	really	really	ADV
admet-1879	230	16	counts	count	VERB
admet-1879	230	17	.	.	PUNCT
admet-1879	231	1	so	so	ADV
admet-1879	231	2	,	,	PUNCT
admet-1879	231	3	we	we	PRON
admet-1879	231	4	selected	select	VERB
admet-1879	231	5	a	a	DET
admet-1879	231	6	slightly	slightly	ADV
admet-1879	231	7	-	-	PUNCT
admet-1879	231	8	increased	increase	VERB
admet-1879	231	9	set	set	NOUN
admet-1879	231	10	of	of	ADP
admet-1879	231	11	108	108	NUM
admet-1879	231	12	newly	newly	ADV
admet-1879	231	13	-	-	PUNCT
admet-1879	231	14	approved	approve	VERB
admet-1879	231	15	fda	fda	PROPN
admet-1879	231	16	drugs	drug	NOUN
admet-1879	231	17	to	to	PART
admet-1879	231	18	examine	examine	VERB
admet-1879	231	19	this	this	DET
admet-1879	231	20	last	last	ADJ
admet-1879	231	21	point	point	NOUN
admet-1879	231	22	.	.	PUNCT
admet-1879	232	1	•	•	NUM
admet-1879	232	2	test	test	NOUN
admet-1879	232	3	set	set	VERB
admet-1879	232	4	8	8	NUM
admet-1879	232	5	–	–	PUNCT
admet-1879	232	6	three	three	NUM
admet-1879	232	7	additional	additional	ADJ
admet-1879	232	8	log	log	NOUN
admet-1879	232	9	s0	s0	NOUN
admet-1879	232	10	values	value	NOUN
admet-1879	232	11	were	be	AUX
admet-1879	232	12	added	add	VERB
admet-1879	232	13	to	to	PART
admet-1879	232	14	test	test	VERB
admet-1879	232	15	set	set	VERB
admet-1879	232	16	7	7	NUM
admet-1879	232	17	of	of	ADP
admet-1879	232	18	newly	newly	ADV
admet-1879	232	19	fda	fda	NOUN
admet-1879	232	20	-	-	PUNCT
admet-1879	232	21	approved	approve	VERB
admet-1879	232	22	drugs	drug	NOUN
admet-1879	232	23	as	as	SCONJ
admet-1879	232	24	more	more	ADJ
admet-1879	232	25	approvals	approval	NOUN
admet-1879	232	26	were	be	AUX
admet-1879	232	27	announced	announce	VERB
admet-1879	232	28	in	in	ADP
admet-1879	232	29	2022	2022	NUM
admet-1879	232	30	.	.	PUNCT
admet-1879	233	1	table	table	NOUN
admet-1879	233	2	4	4	NUM
admet-1879	233	3	summarizes	summarize	NOUN
admet-1879	233	4	the	the	DET
admet-1879	233	5	prediction	prediction	NOUN
admet-1879	233	6	metrics	metric	NOUN
admet-1879	233	7	of	of	ADP
admet-1879	233	8	the	the	DET
admet-1879	233	9	three	three	NUM
admet-1879	233	10	simple	simple	ADJ
admet-1879	233	11	models	model	NOUN
admet-1879	233	12	.	.	PUNCT
admet-1879	234	1	based	base	VERB
admet-1879	234	2	on	on	ADP
admet-1879	234	3	the	the	DET
admet-1879	234	4	properties	property	NOUN
admet-1879	234	5	of	of	ADP
admet-1879	234	6	the	the	DET
admet-1879	234	7	newlyapproved	newlyapprove	VERB
admet-1879	234	8	drugs	drug	NOUN
admet-1879	234	9	in	in	ADP
admet-1879	234	10	the	the	DET
admet-1879	234	11	test	test	NOUN
admet-1879	234	12	set	set	NOUN
admet-1879	234	13	,	,	PUNCT
admet-1879	234	14	the	the	DET
admet-1879	234	15	ranking	ranking	NOUN
admet-1879	234	16	of	of	ADP
admet-1879	234	17	the	the	DET
admet-1879	234	18	various	various	ADJ
admet-1879	234	19	methods	method	NOUN
admet-1879	234	20	is	be	AUX
admet-1879	234	21	suggested	suggest	VERB
admet-1879	234	22	.	.	PUNCT
admet-1879	235	1	for	for	ADP
admet-1879	235	2	of	of	ADP
admet-1879	235	3	r2	r2	PROPN
admet-1879	235	4	and	and	CCONJ
admet-1879	235	5	rmse	rmse	NOUN
admet-1879	235	6	,	,	PUNCT
admet-1879	235	7	the	the	DET
admet-1879	235	8	ranking	ranking	NOUN
admet-1879	235	9	of	of	ADP
admet-1879	235	10	best	good	ADJ
admet-1879	235	11	performers	performer	NOUN
admet-1879	235	12	follows	follow	VERB
admet-1879	235	13	:	:	PUNCT
admet-1879	235	14	consensus	consensus	NOUN
admet-1879	235	15	>	>	X
admet-1879	235	16	gse(φ	gse(φ	PROPN
admet-1879	235	17	,	,	PUNCT
admet-1879	235	18	b	b	NOUN
admet-1879	235	19	)	)	PUNCT
admet-1879	235	20	>	>	PUNCT
admet-1879	236	1	xor	xor	PROPN
admet-1879	236	2	decision	decision	NOUN
admet-1879	236	3	tree	tree	NOUN
admet-1879	236	4	>	>	X
admet-1879	236	5	absolv(grp	absolv(grp	PROPN
admet-1879	236	6	)	)	PUNCT
admet-1879	236	7	>	>	PUNCT
admet-1879	236	8	gse(classic	gse(classic	NOUN
admet-1879	236	9	)	)	PUNCT
admet-1879	236	10	.	.	PUNCT
admet-1879	237	1	the	the	DET
admet-1879	237	2	model	model	NOUN
admet-1879	237	3	with	with	ADP
admet-1879	237	4	the	the	DET
admet-1879	237	5	least	least	ADJ
admet-1879	237	6	bias	bias	NOUN
admet-1879	237	7	is	be	AUX
admet-1879	237	8	absolv(grp	absolv(grp	ADJ
admet-1879	237	9	)	)	PUNCT
admet-1879	237	10	and	and	CCONJ
admet-1879	237	11	the	the	DET
admet-1879	237	12	model	model	NOUN
admet-1879	237	13	with	with	ADP
admet-1879	237	14	the	the	DET
admet-1879	237	15	best	good	ADJ
admet-1879	237	16	mpp	mpp	NOUN
admet-1879	237	17	(	(	PUNCT
admet-1879	237	18	more	more	ADJ
admet-1879	237	19	molecules	molecule	NOUN
admet-1879	237	20	within	within	ADP
admet-1879	237	21	±0.5	±0.5	PROPN
admet-1879	237	22	log	log	NOUN
admet-1879	237	23	of	of	ADP
admet-1879	237	24	the	the	DET
admet-1879	237	25	correlation	correlation	NOUN
admet-1879	237	26	identity	identity	NOUN
admet-1879	237	27	line	line	NOUN
admet-1879	237	28	)	)	PUNCT
admet-1879	237	29	is	be	AUX
admet-1879	237	30	the	the	DET
admet-1879	237	31	xor	xor	PROPN
admet-1879	237	32	decision	decision	NOUN
admet-1879	237	33	tree	tree	NOUN
admet-1879	237	34	(	(	PUNCT
admet-1879	237	35	cf	cf	NOUN
admet-1879	237	36	.	.	PUNCT
admet-1879	237	37	fig	fig	NOUN
admet-1879	237	38	.	.	PUNCT
admet-1879	238	1	3	3	NUM
admet-1879	238	2	)	)	PUNCT
admet-1879	238	3	.	.	PUNCT
admet-1879	239	1	figure	figure	NOUN
admet-1879	239	2	4	4	NUM
admet-1879	239	3	illustrates	illustrate	VERB
admet-1879	239	4	the	the	DET
admet-1879	239	5	differences	difference	NOUN
admet-1879	239	6	between	between	ADP
admet-1879	239	7	the	the	DET
admet-1879	239	8	xor	xor	PROPN
admet-1879	239	9	decision	decision	NOUN
admet-1879	239	10	tree	tree	NOUN
admet-1879	239	11	and	and	CCONJ
admet-1879	239	12	consensus	consensus	NOUN
admet-1879	239	13	models	model	NOUN
admet-1879	239	14	for	for	ADP
admet-1879	239	15	the	the	DET
admet-1879	239	16	new	new	ADJ
admet-1879	239	17	drug	drug	NOUN
admet-1879	239	18	predictions	prediction	NOUN
admet-1879	239	19	.	.	PUNCT
admet-1879	240	1	the	the	DET
admet-1879	240	2	general	general	ADJ
admet-1879	240	3	scatter	scatter	NOUN
admet-1879	240	4	in	in	ADP
admet-1879	240	5	the	the	DET
admet-1879	240	6	consensus	consensus	NOUN
admet-1879	240	7	model	model	NOUN
admet-1879	240	8	is	be	AUX
admet-1879	240	9	evidently	evidently	ADV
admet-1879	240	10	less	less	ADJ
admet-1879	240	11	than	than	ADP
admet-1879	240	12	that	that	PRON
admet-1879	240	13	in	in	ADP
admet-1879	240	14	the	the	DET
admet-1879	240	15	xor	xor	PROPN
admet-1879	240	16	model	model	NOUN
admet-1879	240	17	.	.	PUNCT
admet-1879	241	1	other	other	ADJ
admet-1879	241	2	minor	minor	ADJ
admet-1879	241	3	differences	difference	NOUN
admet-1879	241	4	are	be	AUX
admet-1879	241	5	evident	evident	ADJ
admet-1879	241	6	.	.	PUNCT
admet-1879	242	1	figure	figure	NOUN
admet-1879	242	2	4	4	NUM
admet-1879	242	3	.	.	PUNCT
admet-1879	242	4	prediction	prediction	NOUN
admet-1879	242	5	of	of	ADP
admet-1879	242	6	newly	newly	ADV
admet-1879	242	7	-	-	PUNCT
admet-1879	242	8	approved	approve	VERB
admet-1879	242	9	drugs	drug	NOUN
admet-1879	242	10	(	(	PUNCT
admet-1879	242	11	2016	2016	NUM
admet-1879	242	12	-	-	SYM
admet-1879	242	13	2022	2022	NUM
admet-1879	242	14	)	)	PUNCT
admet-1879	242	15	.	.	PUNCT
admet-1879	243	1	(	(	PUNCT
admet-1879	243	2	a	a	X
admet-1879	243	3	)	)	PUNCT
admet-1879	243	4	xor	xor	PROPN
admet-1879	243	5	decision	decision	NOUN
admet-1879	243	6	tree	tree	NOUN
admet-1879	243	7	model	model	NOUN
admet-1879	243	8	predictions	prediction	NOUN
admet-1879	243	9	,	,	PUNCT
admet-1879	243	10	compared	compare	VERB
admet-1879	243	11	to	to	ADP
admet-1879	243	12	(	(	PUNCT
admet-1879	243	13	b	b	NOUN
admet-1879	243	14	)	)	PUNCT
admet-1879	243	15	consensus	consensus	NOUN
admet-1879	243	16	model	model	NOUN
admet-1879	243	17	.	.	PUNCT
admet-1879	244	1	https://doi.org/10.5599/admet.1879	https://doi.org/10.5599/admet.1879	PROPN
admet-1879	244	2	a.	a.	PROPN
admet-1879	244	3	avdeef	avdeef	PROPN
admet-1879	244	4	admet	admet	PROPN
admet-1879	244	5	&	&	CCONJ
admet-1879	244	6	dmpk	dmpk	PROPN
admet-1879	244	7	11(3	11(3	NUM
admet-1879	244	8	)	)	PUNCT
admet-1879	244	9	(	(	PUNCT
admet-1879	244	10	2023	2023	NUM
admet-1879	244	11	)	)	PUNCT
admet-1879	244	12	317	317	NUM
admet-1879	244	13	-	-	SYM
admet-1879	244	14	330	330	NUM
admet-1879	244	15	326	326	NUM
admet-1879	244	16	the	the	DET
admet-1879	244	17	summary	summary	NOUN
admet-1879	244	18	in	in	ADP
admet-1879	244	19	table	table	NOUN
admet-1879	244	20	4	4	NUM
admet-1879	244	21	may	may	AUX
admet-1879	244	22	seem	seem	VERB
admet-1879	244	23	to	to	PART
admet-1879	244	24	be	be	AUX
admet-1879	244	25	complicated	complicate	VERB
admet-1879	244	26	,	,	PUNCT
admet-1879	244	27	and	and	CCONJ
admet-1879	244	28	different	different	ADJ
admet-1879	244	29	trends	trend	NOUN
admet-1879	244	30	may	may	AUX
admet-1879	244	31	be	be	AUX
admet-1879	244	32	encountered	encounter	VERB
admet-1879	244	33	for	for	ADP
admet-1879	244	34	other	other	ADJ
admet-1879	244	35	test	test	NOUN
admet-1879	244	36	sets	set	NOUN
admet-1879	244	37	.	.	PUNCT
admet-1879	245	1	in	in	ADP
admet-1879	245	2	new	new	ADJ
admet-1879	245	3	test	test	NOUN
admet-1879	245	4	cases	case	NOUN
admet-1879	245	5	,	,	PUNCT
admet-1879	245	6	the	the	DET
admet-1879	245	7	discussed	discuss	VERB
admet-1879	245	8	simple	simple	ADJ
admet-1879	245	9	models	model	NOUN
admet-1879	245	10	can	can	AUX
admet-1879	245	11	be	be	AUX
admet-1879	245	12	easily	easily	ADV
admet-1879	245	13	incorporated	incorporate	VERB
admet-1879	245	14	into	into	ADP
admet-1879	245	15	an	an	DET
admet-1879	245	16	excel	excel	NOUN
admet-1879	245	17	spreadsheet	spreadsheet	NOUN
admet-1879	245	18	(	(	PUNCT
admet-1879	245	19	using	use	VERB
admet-1879	245	20	the	the	DET
admet-1879	245	21	refined	refined	ADJ
admet-1879	245	22	parameters	parameter	NOUN
admet-1879	245	23	in	in	ADP
admet-1879	245	24	tables	table	NOUN
admet-1879	245	25	1	1	NUM
admet-1879	245	26	and	and	CCONJ
admet-1879	245	27	2	2	NUM
admet-1879	245	28	)	)	PUNCT
admet-1879	245	29	and	and	CCONJ
admet-1879	245	30	compared	compare	VERB
admet-1879	245	31	for	for	ADP
admet-1879	245	32	new	new	ADJ
admet-1879	245	33	cases	case	NOUN
admet-1879	245	34	.	.	PUNCT
admet-1879	246	1	table	table	NOUN
admet-1879	246	2	4	4	NUM
admet-1879	246	3	.	.	PUNCT
admet-1879	246	4	simple	simple	ADJ
admet-1879	246	5	models	model	NOUN
admet-1879	246	6	for	for	ADP
admet-1879	246	7	predicting	predict	VERB
admet-1879	246	8	solubility	solubility	NOUN
admet-1879	246	9	of	of	ADP
admet-1879	246	10	newly	newly	ADV
admet-1879	246	11	-	-	PUNCT
admet-1879	246	12	approved	approve	VERB
admet-1879	246	13	drugsa	drugsa	NOUN
admet-1879	246	14	model	model	NOUN
admet-1879	246	15	r2	r2	PROPN
admet-1879	246	16	rmse	rmse	PROPN
admet-1879	246	17	bias	bias	PROPN
admet-1879	246	18	mpp	mpp	PROPN
admet-1879	246	19	,	,	PUNCT
admet-1879	246	20	%	%	NOUN
admet-1879	247	1	consensus	consensus	NOUN
admet-1879	247	2	0.64	0.64	NUM
admet-1879	247	3	1.08	1.08	NUM
admet-1879	247	4	-0.15	-0.15	NUM
admet-1879	247	5	32.4	32.4	NUM
admet-1879	247	6	gse(φ	gse(φ	PROPN
admet-1879	247	7	,	,	PUNCT
admet-1879	247	8	b	b	NOUN
admet-1879	247	9	)	)	PUNCT
admet-1879	247	10	flexible	flexible	ADJ
admet-1879	247	11	-	-	PUNCT
admet-1879	247	12	acceptor	acceptor	NOUN
admet-1879	247	13	0.62	0.62	NUM
admet-1879	247	14	1.12	1.12	NUM
admet-1879	247	15	-0.32	-0.32	NUM
admet-1879	247	16	33.3	33.3	NUM
admet-1879	247	17	xor	xor	PROPN
admet-1879	247	18	decision	decision	NOUN
admet-1879	247	19	tree	tree	NOUN
admet-1879	247	20	0.57	0.57	NUM
admet-1879	247	21	1.18	1.18	NUM
admet-1879	247	22	-0.18	-0.18	NUM
admet-1879	247	23	35.2	35.2	NUM
admet-1879	247	24	absolv(grp	absolv(grp	PROPN
admet-1879	247	25	)	)	PUNCT
admet-1879	247	26	0.51	0.51	NUM
admet-1879	247	27	1.26	1.26	NUM
admet-1879	247	28	0.02	0.02	NUM
admet-1879	247	29	32.4	32.4	NUM
admet-1879	247	30	gse(classic	gse(classic	NOUN
admet-1879	247	31	)	)	PUNCT
admet-1879	247	32	0.42	0.42	NUM
admet-1879	247	33	1.38	1.38	NUM
admet-1879	247	34	-0.36	-0.36	NUM
admet-1879	247	35	31.5	31.5	NUM
admet-1879	247	36	atest	atest	ADV
admet-1879	247	37	set	set	VERB
admet-1879	247	38	8	8	NUM
admet-1879	247	39	with	with	ADP
admet-1879	247	40	n	n	NOUN
admet-1879	247	41	=	=	SYM
admet-1879	247	42	108	108	NUM
admet-1879	247	43	.	.	PUNCT
admet-1879	248	1	the	the	DET
admet-1879	248	2	best	good	ADJ
admet-1879	248	3	metrics	metric	NOUN
admet-1879	248	4	are	be	AUX
admet-1879	248	5	highlighted	highlight	VERB
admet-1879	248	6	in	in	ADP
admet-1879	248	7	bold	bold	ADJ
admet-1879	248	8	.	.	PUNCT
admet-1879	249	1	another	another	DET
admet-1879	249	2	test	test	NOUN
admet-1879	249	3	example	example	NOUN
admet-1879	249	4	in	in	ADP
admet-1879	249	5	model	model	NOUN
admet-1879	249	6	selection	selection	NOUN
admet-1879	249	7	based	base	VERB
admet-1879	249	8	on	on	ADP
admet-1879	249	9	outliers	outlier	NOUN
admet-1879	249	10	oja	oja	X
admet-1879	249	11	et	et	PROPN
admet-1879	249	12	al	al	PROPN
admet-1879	249	13	.	.	PUNCT
admet-1879	250	1	[	[	X
admet-1879	250	2	5	5	NUM
admet-1879	250	3	]	]	PUNCT
admet-1879	250	4	responded	respond	VERB
admet-1879	250	5	to	to	ADP
admet-1879	250	6	the	the	DET
admet-1879	250	7	second	second	ADJ
admet-1879	250	8	solubility	solubility	NOUN
admet-1879	250	9	challenge	challenge	NOUN
admet-1879	250	10	[	[	X
admet-1879	250	11	3,4	3,4	NUM
admet-1879	250	12	]	]	PUNCT
admet-1879	250	13	with	with	ADP
admet-1879	250	14	three	three	NUM
admet-1879	250	15	data	data	NOUN
admet-1879	250	16	-	-	PUNCT
admet-1879	250	17	driven	drive	VERB
admet-1879	250	18	mlr	mlr	NOUN
admet-1879	250	19	models	model	NOUN
admet-1879	250	20	for	for	ADP
admet-1879	250	21	predicting	predict	VERB
admet-1879	250	22	intrinsic	intrinsic	ADJ
admet-1879	250	23	aqueous	aqueous	ADJ
admet-1879	250	24	solubility	solubility	NOUN
admet-1879	250	25	,	,	PUNCT
admet-1879	250	26	which	which	PRON
admet-1879	250	27	were	be	AUX
admet-1879	250	28	mechanistically	mechanistically	ADV
admet-1879	250	29	transparent	transparent	ADJ
admet-1879	250	30	and	and	CCONJ
admet-1879	250	31	easily	easily	ADV
admet-1879	250	32	understandable	understandable	ADJ
admet-1879	250	33	.	.	PUNCT
admet-1879	251	1	they	they	PRON
admet-1879	251	2	discussed	discuss	VERB
admet-1879	251	3	the	the	DET
admet-1879	251	4	challenges	challenge	NOUN
admet-1879	251	5	posed	pose	VERB
admet-1879	251	6	by	by	ADP
admet-1879	251	7	outlier	outlier	NOUN
admet-1879	251	8	molecules	molecule	NOUN
admet-1879	251	9	.	.	PUNCT
admet-1879	252	1	table	table	NOUN
admet-1879	252	2	5	5	NUM
admet-1879	252	3	.	.	PUNCT
admet-1879	252	4	simple	simple	ADJ
admet-1879	252	5	-	-	PUNCT
admet-1879	252	6	model	model	NOUN
admet-1879	252	7	prediction	prediction	NOUN
admet-1879	252	8	of	of	ADP
admet-1879	252	9	solubility	solubility	NOUN
admet-1879	252	10	of	of	ADP
admet-1879	252	11	outliers	outlier	NOUN
admet-1879	252	12	in	in	ADP
admet-1879	252	13	the	the	DET
admet-1879	252	14	oja	oja	NOUN
admet-1879	252	15	et	et	PROPN
admet-1879	252	16	al	al	PROPN
admet-1879	252	17	.	.	PUNCT
admet-1879	253	1	[	[	X
admet-1879	253	2	5	5	NUM
admet-1879	253	3	]	]	PUNCT
admet-1879	253	4	study	study	VERB
admet-1879	253	5	a	a	DET
admet-1879	253	6	drug	drug	NOUN
admet-1879	253	7	φ	φ	PROPN
admet-1879	253	8	log	log	NOUN
admet-1879	253	9	s0(obs	s0(ob	NOUN
admet-1879	253	10	)	)	PUNCT
admet-1879	254	1	[	[	X
admet-1879	254	2	7	7	X
admet-1879	254	3	]	]	X
admet-1879	254	4	consensus	consensus	NOUN
admet-1879	254	5	[	[	X
admet-1879	254	6	5	5	NUM
admet-1879	254	7	]	]	PUNCT
admet-1879	254	8	consensus	consensus	NOUN
admet-1879	254	9	[	[	X
admet-1879	254	10	this	this	DET
admet-1879	254	11	work	work	NOUN
admet-1879	254	12	]	]	PUNCT
admet-1879	254	13	xor	xor	PROPN
admet-1879	254	14	model	model	PROPN
admet-1879	254	15	gse(φ	gse(φ	PROPN
admet-1879	254	16	,	,	PUNCT
admet-1879	254	17	b	b	NOUN
admet-1879	254	18	)	)	PUNCT
admet-1879	254	19	flexibleacceptor	flexibleacceptor	NOUN
admet-1879	254	20	absolv	absolv	PROPN
admet-1879	254	21	(	(	PUNCT
admet-1879	254	22	grp	grp	PROPN
admet-1879	254	23	)	)	PUNCT
admet-1879	254	24	gse	gse	PROPN
admet-1879	254	25	(	(	PUNCT
admet-1879	254	26	classic	classic	ADJ
admet-1879	254	27	)	)	PUNCT
admet-1879	254	28	obs	obs	PROPN
admet-1879	254	29	-	-	PUNCT
admet-1879	254	30	calc	calc	NOUN
admet-1879	254	31	closest	close	ADJ
admet-1879	254	32	prediction	prediction	NOUN
admet-1879	254	33	folic	folic	NOUN
admet-1879	254	34	acid	acid	NOUN
admet-1879	254	35	6.6	6.6	NUM
admet-1879	254	36	-5.91	-5.91	NUM
admet-1879	254	37	±	±	NUM
admet-1879	254	38	0.17	0.17	NUM
admet-1879	254	39	-3.88	-3.88	NUM
admet-1879	254	40	-2.51	-2.51	NUM
admet-1879	254	41	-4.07	-4.07	NUM
admet-1879	254	42	-2.97	-2.97	NOUN
admet-1879	254	43	-2.05	-2.05	ADJ
admet-1879	254	44	-1.71	-1.71	PROPN
admet-1879	254	45	-1.84	-1.84	X
admet-1879	254	46	cisapride	cisapride	PROPN
admet-1879	254	47	8.6	8.6	NUM
admet-1879	254	48	-6.78	-6.78	NOUN
admet-1879	254	49	±	±	NUM
admet-1879	254	50	0.17	0.17	NUM
admet-1879	254	51	-4.21	-4.21	PROPN
admet-1879	254	52	-4.16	-4.16	PROPN
admet-1879	254	53	-2.97	-2.97	PROPN
admet-1879	254	54	-4.24	-4.24	X
admet-1879	254	55	-4.07	-4.07	NUM
admet-1879	254	56	-3.71	-3.71	NOUN
admet-1879	254	57	-2.54	-2.54	NOUN
admet-1879	254	58	amiodarone	amiodarone	NOUN
admet-1879	254	59	9.2	9.2	NUM
admet-1879	254	60	-10.40	-10.40	SYM
admet-1879	254	61	±	±	PROPN
admet-1879	254	62	0.50	0.50	NUM
admet-1879	254	63	-7.86	-7.86	NUM
admet-1879	254	64	-7.21	-7.21	NUM
admet-1879	254	65	-4.38	-4.38	PRON
admet-1879	254	66	-6.48	-6.48	NUM
admet-1879	254	67	-7.93	-7.93	NUM
admet-1879	254	68	-7.75	-7.75	ADJ
admet-1879	254	69	-2.47	-2.47	X
admet-1879	254	70	itraconazole	itraconazole	PROPN
admet-1879	254	71	9.6	9.6	NUM
admet-1879	254	72	-8.71	-8.71	NUM
admet-1879	254	73	±	±	NUM
admet-1879	254	74	0.57	0.57	NUM
admet-1879	254	75	-7.27	-7.27	PROPN
admet-1879	254	76	-7.12	-7.12	NUM
admet-1879	254	77	-7.93	-7.93	NUM
admet-1879	254	78	-5.69	-5.69	NUM
admet-1879	254	79	-8.54	-8.54	NUM
admet-1879	254	80	-6.48	-6.48	NUM
admet-1879	254	81	-0.17	-0.17	PROPN
admet-1879	254	82	rifabutin	rifabutin	PROPN
admet-1879	254	83	13.1	13.1	NUM
admet-1879	254	84	-3.99	-3.99	NUM
admet-1879	254	85	±	±	NUM
admet-1879	254	86	0.43	0.43	NUM
admet-1879	254	87	-6.81	-6.81	NOUN
admet-1879	254	88	-5.05	-5.05	NOUN
admet-1879	254	89	-8.54	-8.54	NUM
admet-1879	254	90	-5.21	-5.21	NUM
admet-1879	254	91	-4.89	-4.89	NUM
admet-1879	254	92	-5.63	-5.63	NUM
admet-1879	254	93	0.90	0.90	NUM
admet-1879	254	94	cyclosporine	cyclosporine	NOUN
admet-1879	254	95	a	a	DET
admet-1879	254	96	31.5	31.5	NUM
admet-1879	254	97	-5.03	-5.03	NUM
admet-1879	254	98	±	±	NUM
admet-1879	254	99	0.16	0.16	NUM
admet-1879	254	100	-8.27	-8.27	NUM
admet-1879	254	101	-4.49	-4.49	NUM
admet-1879	254	102	-5.21	-5.21	PROPN
admet-1879	254	103	-4.38	-4.38	INTJ
admet-1879	254	104	-4.59	-4.59	NUM
admet-1879	254	105	-4.03	-4.03	PROPN
admet-1879	254	106	-0.44	-0.44	NUM
admet-1879	254	107	aclosest	aclos	ADJ
admet-1879	254	108	predictions	prediction	NOUN
admet-1879	254	109	are	be	AUX
admet-1879	254	110	highlighted	highlight	VERB
admet-1879	254	111	in	in	ADP
admet-1879	254	112	bold	bold	ADJ
admet-1879	254	113	table	table	NOUN
admet-1879	254	114	5	5	NUM
admet-1879	254	115	shows	show	VERB
admet-1879	254	116	a	a	DET
admet-1879	254	117	different	different	ADJ
admet-1879	254	118	pattern	pattern	NOUN
admet-1879	254	119	of	of	ADP
admet-1879	254	120	performance	performance	NOUN
admet-1879	254	121	ranking	rank	VERB
admet-1879	254	122	compared	compare	VERB
admet-1879	254	123	to	to	ADP
admet-1879	254	124	that	that	PRON
admet-1879	254	125	in	in	ADP
admet-1879	254	126	table	table	NOUN
admet-1879	254	127	4	4	NUM
admet-1879	254	128	.	.	PUNCT
admet-1879	254	129	absolv(grp	absolv(grp	PROPN
admet-1879	254	130	)	)	PUNCT
admet-1879	254	131	performed	perform	VERB
admet-1879	254	132	consistently	consistently	ADV
admet-1879	254	133	in	in	ADP
admet-1879	254	134	the	the	DET
admet-1879	254	135	first	first	ADJ
admet-1879	254	136	position	position	NOUN
admet-1879	254	137	for	for	ADP
admet-1879	254	138	the	the	DET
admet-1879	254	139	four	four	NUM
admet-1879	254	140	most	most	ADV
admet-1879	254	141	flexible	flexible	ADJ
admet-1879	254	142	molecules	molecule	NOUN
admet-1879	254	143	.	.	PUNCT
admet-1879	255	1	for	for	ADP
admet-1879	255	2	the	the	DET
admet-1879	255	3	least	least	ADJ
admet-1879	255	4	flexible	flexible	ADJ
admet-1879	255	5	molecules	molecule	NOUN
admet-1879	255	6	,	,	PUNCT
admet-1879	255	7	folic	folic	NOUN
admet-1879	255	8	acid	acid	NOUN
admet-1879	255	9	and	and	CCONJ
admet-1879	255	10	cisapride	cisapride	NOUN
admet-1879	255	11	,	,	PUNCT
admet-1879	255	12	the	the	DET
admet-1879	255	13	xor	xor	PROPN
admet-1879	255	14	and	and	CCONJ
admet-1879	255	15	gse(φ	gse(φ	PROPN
admet-1879	255	16	,	,	PUNCT
admet-1879	255	17	b	b	X
admet-1879	255	18	)	)	PUNCT
admet-1879	255	19	looked	look	VERB
admet-1879	255	20	promising	promising	ADJ
admet-1879	255	21	.	.	PUNCT
admet-1879	256	1	our	our	PRON
admet-1879	256	2	consensus	consensus	NOUN
admet-1879	256	3	model	model	NOUN
admet-1879	256	4	lagged	lag	VERB
admet-1879	256	5	the	the	DET
admet-1879	256	6	others	other	NOUN
admet-1879	256	7	in	in	ADP
admet-1879	256	8	this	this	DET
admet-1879	256	9	outliers	outlier	NOUN
admet-1879	256	10	example	example	VERB
admet-1879	256	11	.	.	PUNCT
admet-1879	257	1	conclusion	conclusion	NOUN
admet-1879	257	2	large	large	ADJ
admet-1879	257	3	,	,	PUNCT
admet-1879	257	4	well	well	ADV
admet-1879	257	5	-	-	PUNCT
admet-1879	257	6	curated	curate	VERB
admet-1879	257	7	aqueous	aqueous	ADJ
admet-1879	257	8	intrinsic	intrinsic	ADJ
admet-1879	257	9	solubility	solubility	NOUN
admet-1879	257	10	databases	database	NOUN
admet-1879	257	11	are	be	AUX
admet-1879	257	12	available	available	ADJ
admet-1879	257	13	,	,	PUNCT
admet-1879	257	14	with	with	ADP
admet-1879	257	15	average	average	ADJ
admet-1879	257	16	interlaboratory	interlaboratory	ADJ
admet-1879	257	17	reproducibility	reproducibility	NOUN
admet-1879	257	18	of	of	ADP
admet-1879	257	19	less	less	ADJ
admet-1879	257	20	than	than	ADP
admet-1879	257	21	0.2	0.2	NUM
admet-1879	257	22	log	log	NOUN
admet-1879	257	23	unit	unit	NOUN
admet-1879	257	24	.	.	PUNCT
admet-1879	258	1	however	however	ADV
admet-1879	258	2	,	,	PUNCT
admet-1879	258	3	the	the	DET
admet-1879	258	4	distribution	distribution	NOUN
admet-1879	258	5	of	of	ADP
admet-1879	258	6	drugs	drug	NOUN
admet-1879	258	7	in	in	ADP
admet-1879	258	8	the	the	DET
admet-1879	258	9	chemical	chemical	NOUN
admet-1879	258	10	space	space	NOUN
admet-1879	258	11	might	might	AUX
admet-1879	258	12	not	not	PART
admet-1879	258	13	be	be	AUX
admet-1879	258	14	uniform	uniform	ADJ
admet-1879	258	15	but	but	CCONJ
admet-1879	258	16	may	may	AUX
admet-1879	258	17	be	be	AUX
admet-1879	258	18	sparsely	sparsely	ADV
admet-1879	258	19	populated	populate	VERB
admet-1879	258	20	in	in	ADP
admet-1879	258	21	clusters	cluster	NOUN
admet-1879	258	22	[	[	X
admet-1879	258	23	47	47	NUM
admet-1879	258	24	]	]	PUNCT
admet-1879	258	25	.	.	PUNCT
admet-1879	259	1	even	even	ADV
admet-1879	259	2	a	a	DET
admet-1879	259	3	massive	massive	ADJ
admet-1879	259	4	database	database	NOUN
admet-1879	259	5	might	might	AUX
admet-1879	259	6	miss	miss	VERB
admet-1879	259	7	some	some	DET
admet-1879	259	8	clusters	cluster	NOUN
admet-1879	259	9	.	.	PUNCT
admet-1879	260	1	test	test	NOUN
admet-1879	260	2	compounds	compound	NOUN
admet-1879	260	3	from	from	ADP
admet-1879	260	4	such	such	DET
admet-1879	260	5	an	an	DET
admet-1879	260	6	under	under	ADV
admet-1879	260	7	-	-	PUNCT
admet-1879	260	8	represented	represent	VERB
admet-1879	260	9	portion	portion	NOUN
admet-1879	260	10	of	of	ADP
admet-1879	260	11	space	space	NOUN
admet-1879	260	12	may	may	AUX
admet-1879	260	13	be	be	AUX
admet-1879	260	14	poorly	poorly	ADV
admet-1879	260	15	predicted	predict	VERB
admet-1879	260	16	,	,	PUNCT
admet-1879	260	17	as	as	SCONJ
admet-1879	260	18	the	the	DET
admet-1879	260	19	outliers	outlier	NOUN
admet-1879	260	20	in	in	ADP
admet-1879	260	21	table	table	NOUN
admet-1879	260	22	5	5	NUM
admet-1879	260	23	could	could	AUX
admet-1879	260	24	suggest	suggest	VERB
admet-1879	260	25	.	.	PUNCT
admet-1879	261	1	also	also	ADV
admet-1879	261	2	,	,	PUNCT
admet-1879	261	3	the	the	DET
admet-1879	261	4	32	32	NUM
admet-1879	261	5	‘	'	PUNCT
admet-1879	261	6	difficult	difficult	ADJ
admet-1879	261	7	-	-	PUNCT
admet-1879	261	8	to	to	PART
admet-1879	261	9	-	-	PUNCT
admet-1879	261	10	predict	predict	VERB
admet-1879	261	11	’	'	PUNCT
admet-1879	261	12	drugs	drug	NOUN
admet-1879	261	13	in	in	ADP
admet-1879	261	14	the	the	DET
admet-1879	261	15	second	second	ADJ
admet-1879	261	16	solubility	solubility	NOUN
admet-1879	261	17	challenge	challenge	NOUN
admet-1879	261	18	[	[	X
admet-1879	261	19	3,4	3,4	NUM
admet-1879	261	20	]	]	PUNCT
admet-1879	261	21	may	may	AUX
admet-1879	261	22	be	be	AUX
admet-1879	261	23	good	good	ADJ
admet-1879	261	24	examples	example	NOUN
admet-1879	261	25	of	of	ADP
admet-1879	261	26	underpopulated	underpopulated	ADJ
admet-1879	261	27	cluster	cluster	NOUN
admet-1879	261	28	space	space	NOUN
admet-1879	261	29	,	,	PUNCT
admet-1879	261	30	for	for	ADP
admet-1879	261	31	which	which	PRON
admet-1879	261	32	better	well	ADJ
admet-1879	261	33	representation	representation	NOUN
admet-1879	261	34	is	be	AUX
admet-1879	261	35	needed	need	VERB
admet-1879	261	36	.	.	PUNCT
admet-1879	262	1	it	it	PRON
admet-1879	262	2	should	should	AUX
admet-1879	262	3	also	also	ADV
admet-1879	262	4	be	be	AUX
admet-1879	262	5	noted	note	VERB
admet-1879	262	6	that	that	SCONJ
admet-1879	262	7	the	the	DET
admet-1879	262	8	32	32	NUM
admet-1879	262	9	molecules	molecule	NOUN
admet-1879	262	10	are	be	AUX
admet-1879	262	11	also	also	ADV
admet-1879	262	12	‘	'	PUNCT
admet-1879	262	13	difficult	difficult	ADJ
admet-1879	262	14	-	-	PUNCT
admet-1879	262	15	to	to	ADP
admet-1879	262	16	-	-	PUNCT
admet-1879	262	17	measure	measure	NOUN
admet-1879	262	18	’	'	PUNCT
admet-1879	262	19	drugs	drug	NOUN
admet-1879	262	20	.	.	PUNCT
admet-1879	263	1	the	the	DET
admet-1879	263	2	increasing	increase	VERB
admet-1879	263	3	use	use	NOUN
admet-1879	263	4	of	of	ADP
admet-1879	263	5	ml	ml	NOUN
admet-1879	263	6	/	/	SYM
admet-1879	263	7	ai	ai	PROPN
admet-1879	263	8	methods	method	NOUN
admet-1879	263	9	can	can	AUX
admet-1879	263	10	lead	lead	VERB
admet-1879	263	11	to	to	ADP
admet-1879	263	12	accurate	accurate	ADJ
admet-1879	263	13	predictions	prediction	NOUN
admet-1879	263	14	,	,	PUNCT
admet-1879	263	15	as	as	SCONJ
admet-1879	263	16	we	we	PRON
admet-1879	263	17	have	have	AUX
admet-1879	263	18	seen	see	VERB
admet-1879	263	19	.	.	PUNCT
admet-1879	264	1	however	however	ADV
admet-1879	264	2	,	,	PUNCT
admet-1879	264	3	these	these	DET
admet-1879	264	4	results	result	NOUN
admet-1879	264	5	may	may	AUX
admet-1879	264	6	not	not	PART
admet-1879	264	7	readily	readily	ADV
admet-1879	264	8	suggest	suggest	VERB
admet-1879	264	9	the	the	DET
admet-1879	264	10	steps	step	NOUN
admet-1879	264	11	to	to	PART
admet-1879	264	12	take	take	VERB
admet-1879	264	13	to	to	PART
admet-1879	264	14	improve	improve	VERB
admet-1879	264	15	the	the	DET
admet-1879	264	16	properties	property	NOUN
admet-1879	264	17	of	of	ADP
admet-1879	264	18	tested	test	VERB
admet-1879	264	19	compounds	compound	NOUN
admet-1879	264	20	.	.	PUNCT
admet-1879	265	1	our	our	PRON
admet-1879	265	2	five	five	NUM
admet-1879	265	3	studies	study	NOUN
admet-1879	265	4	in	in	ADP
admet-1879	265	5	solubility	solubility	NOUN
admet-1879	265	6	prediction	prediction	NOUN
admet-1879	265	7	have	have	AUX
admet-1879	265	8	attempted	attempt	VERB
admet-1879	265	9	to	to	PART
admet-1879	265	10	match	match	VERB
admet-1879	265	11	the	the	DET
admet-1879	265	12	performance	performance	NOUN
admet-1879	265	13	of	of	ADP
admet-1879	265	14	the	the	DET
admet-1879	265	15	random	random	ADJ
admet-1879	265	16	forest	forest	NOUN
admet-1879	265	17	regression	regression	NOUN
admet-1879	265	18	method	method	NOUN
admet-1879	265	19	,	,	PUNCT
admet-1879	265	20	using	use	VERB
admet-1879	265	21	relatively	relatively	ADV
admet-1879	265	22	simple	simple	ADJ
admet-1879	265	23	,	,	PUNCT
admet-1879	265	24	mechanistically	mechanistically	ADV
admet-1879	265	25	transparent	transparent	ADJ
admet-1879	265	26	,	,	PUNCT
admet-1879	265	27	and	and	CCONJ
admet-1879	265	28	easily	easily	ADV
admet-1879	265	29	applied	apply	VERB
admet-1879	265	30	models	model	NOUN
admet-1879	265	31	[	[	X
admet-1879	265	32	5	5	NUM
admet-1879	265	33	]	]	PUNCT
admet-1879	265	34	.	.	PUNCT
admet-1879	266	1	increasingly	increasingly	ADV
admet-1879	266	2	,	,	PUNCT
admet-1879	266	3	current	current	ADJ
admet-1879	266	4	trends	trend	NOUN
admet-1879	266	5	in	in	ADP
admet-1879	266	6	in	in	ADP
admet-1879	266	7	-	-	PUNCT
admet-1879	266	8	silico	silico	NOUN
admet-1879	266	9	predictions	prediction	NOUN
admet-1879	266	10	of	of	ADP
admet-1879	266	11	solubility	solubility	NOUN
admet-1879	266	12	use	use	NOUN
admet-1879	266	13	calculated	calculate	VERB
admet-1879	266	14	input	input	NOUN
admet-1879	266	15	descriptors	descriptor	NOUN
admet-1879	266	16	,	,	PUNCT
admet-1879	266	17	which	which	PRON
admet-1879	266	18	may	may	AUX
admet-1879	266	19	be	be	AUX
admet-1879	266	20	an	an	DET
admet-1879	266	21	advantage	advantage	NOUN
admet-1879	266	22	to	to	PART
admet-1879	266	23	explore	explore	VERB
admet-1879	266	24	properties	property	NOUN
admet-1879	266	25	of	of	ADP
admet-1879	266	26	molecules	molecule	NOUN
admet-1879	266	27	yet	yet	ADV
admet-1879	266	28	to	to	PART
admet-1879	266	29	be	be	AUX
admet-1879	266	30	synthesized	synthesize	VERB
admet-1879	266	31	.	.	PUNCT
admet-1879	267	1	the	the	DET
admet-1879	267	2	risk	risk	NOUN
admet-1879	267	3	may	may	AUX
admet-1879	267	4	be	be	AUX
admet-1879	267	5	that	that	PRON
admet-1879	267	6	overall	overall	ADJ
admet-1879	267	7	prediction	prediction	NOUN
admet-1879	267	8	approaches	approach	NOUN
admet-1879	267	9	might	might	AUX
admet-1879	267	10	be	be	AUX
admet-1879	267	11	based	base	VERB
admet-1879	267	12	on	on	ADP
admet-1879	267	13	accumulated	accumulate	VERB
admet-1879	267	14	uncertainty	uncertainty	NOUN
admet-1879	267	15	,	,	PUNCT
admet-1879	267	16	something	something	PRON
admet-1879	267	17	that	that	PRON
admet-1879	267	18	is	be	AUX
admet-1879	267	19	often	often	ADV
admet-1879	267	20	not	not	PART
admet-1879	267	21	emphasized	emphasize	VERB
admet-1879	267	22	[	[	X
admet-1879	267	23	47	47	NUM
admet-1879	267	24	]	]	PUNCT
admet-1879	267	25	.	.	PUNCT
admet-1879	268	1	admet	admet	PROPN
admet-1879	268	2	&	&	CCONJ
admet-1879	268	3	dmpk	dmpk	PROPN
admet-1879	268	4	11(3	11(3	NUM
admet-1879	268	5	)	)	PUNCT
admet-1879	268	6	(	(	PUNCT
admet-1879	268	7	2023	2023	NUM
admet-1879	268	8	)	)	PUNCT
admet-1879	268	9	317	317	NUM
admet-1879	268	10	-	-	SYM
admet-1879	268	11	330	330	NUM
admet-1879	268	12	mechanistically	mechanistically	ADV
admet-1879	268	13	transparent	transparent	ADJ
admet-1879	268	14	models	model	NOUN
admet-1879	268	15	for	for	ADP
admet-1879	268	16	predicting	predict	VERB
admet-1879	268	17	aqueous	aqueous	ADJ
admet-1879	268	18	solubility	solubility	NOUN
admet-1879	268	19	doi	doi	NOUN
admet-1879	268	20	:	:	PUNCT
admet-1879	268	21	https://doi.org/10.5599/admet.1879	https://doi.org/10.5599/admet.1879	NOUN
admet-1879	268	22	327	327	NUM
admet-1879	268	23	the	the	DET
admet-1879	268	24	knowledge	knowledge	NOUN
admet-1879	268	25	gained	gain	VERB
admet-1879	268	26	and	and	CCONJ
admet-1879	268	27	predictive	predictive	ADJ
admet-1879	268	28	power	power	NOUN
admet-1879	268	29	applied	apply	VERB
admet-1879	268	30	to	to	ADP
admet-1879	268	31	novel	novel	ADJ
admet-1879	268	32	classes	class	NOUN
admet-1879	268	33	of	of	ADP
admet-1879	268	34	test	test	NOUN
admet-1879	268	35	molecules	molecule	NOUN
admet-1879	268	36	can	can	AUX
admet-1879	268	37	still	still	ADV
admet-1879	268	38	be	be	AUX
admet-1879	268	39	limited	limit	VERB
admet-1879	268	40	by	by	ADP
admet-1879	268	41	the	the	DET
admet-1879	268	42	calculated	calculate	VERB
admet-1879	268	43	descriptors	descriptor	NOUN
admet-1879	268	44	.	.	PUNCT
admet-1879	269	1	based	base	VERB
admet-1879	269	2	on	on	ADP
admet-1879	269	3	our	our	PRON
admet-1879	269	4	latest	late	ADJ
admet-1879	269	5	findings	finding	NOUN
admet-1879	269	6	,	,	PUNCT
admet-1879	269	7	we	we	PRON
admet-1879	269	8	recommend	recommend	VERB
admet-1879	269	9	that	that	SCONJ
admet-1879	269	10	both	both	DET
admet-1879	269	11	absolv(grp	absolv(grp	PROPN
admet-1879	269	12	)	)	PUNCT
admet-1879	269	13	and	and	CCONJ
admet-1879	269	14	gse(φ	gse(φ	PROPN
admet-1879	269	15	,	,	PUNCT
admet-1879	269	16	b	b	X
admet-1879	269	17	)	)	PUNCT
admet-1879	269	18	be	be	AUX
admet-1879	269	19	calculated	calculate	VERB
admet-1879	269	20	(	(	PUNCT
admet-1879	269	21	e.g.	e.g.	ADV
admet-1879	269	22	,	,	PUNCT
admet-1879	269	23	by	by	ADP
admet-1879	269	24	taking	take	VERB
admet-1879	269	25	advantage	advantage	NOUN
admet-1879	269	26	of	of	ADP
admet-1879	269	27	the	the	DET
admet-1879	269	28	refined	refined	ADJ
admet-1879	269	29	parameters	parameter	NOUN
admet-1879	269	30	in	in	ADP
admet-1879	269	31	tables	table	NOUN
admet-1879	269	32	1	1	NUM
admet-1879	269	33	and	and	CCONJ
admet-1879	269	34	2	2	NUM
admet-1879	269	35	)	)	PUNCT
admet-1879	269	36	.	.	PUNCT
admet-1879	270	1	for	for	ADP
admet-1879	270	2	molecules	molecule	NOUN
admet-1879	270	3	with	with	ADP
admet-1879	270	4	φ	φ	PROPN
admet-1879	270	5	<	<	X
admet-1879	270	6	11	11	NUM
admet-1879	270	7	,	,	PUNCT
admet-1879	270	8	the	the	DET
admet-1879	270	9	prudent	prudent	ADJ
admet-1879	270	10	choice	choice	NOUN
admet-1879	270	11	is	be	AUX
admet-1879	270	12	to	to	PART
admet-1879	270	13	pick	pick	VERB
admet-1879	270	14	the	the	DET
admet-1879	270	15	consensus	consensus	NOUN
admet-1879	270	16	model	model	NOUN
admet-1879	270	17	,	,	PUNCT
admet-1879	270	18	the	the	DET
admet-1879	270	19	average	average	NOUN
admet-1879	270	20	of	of	ADP
admet-1879	270	21	absolv(grp	absolv(grp	PROPN
admet-1879	270	22	)	)	PUNCT
admet-1879	270	23	and	and	CCONJ
admet-1879	270	24	gse(φ	gse(φ	PROPN
admet-1879	270	25	,	,	PUNCT
admet-1879	270	26	b	b	NOUN
admet-1879	270	27	)	)	PUNCT
admet-1879	270	28	.	.	PUNCT
admet-1879	271	1	for	for	ADP
admet-1879	271	2	more	more	ADV
admet-1879	271	3	flexible	flexible	ADJ
admet-1879	271	4	molecules	molecule	NOUN
admet-1879	271	5	,	,	PUNCT
admet-1879	271	6	gse(φ	gse(φ	PROPN
admet-1879	271	7	,	,	PUNCT
admet-1879	271	8	b	b	NOUN
admet-1879	271	9	)	)	PUNCT
admet-1879	271	10	is	be	AUX
admet-1879	271	11	recommended	recommend	VERB
admet-1879	271	12	.	.	PUNCT
admet-1879	272	1	abbreviations	abbreviation	NOUN
admet-1879	272	2	and	and	CCONJ
admet-1879	272	3	definitions	definition	NOUN
admet-1879	272	4	s0	s0	PROPN
admet-1879	272	5	intrinsic	intrinsic	ADJ
admet-1879	272	6	aqueous	aqueous	ADJ
admet-1879	272	7	solubility	solubility	NOUN
admet-1879	272	8	(	(	PUNCT
admet-1879	272	9	i.e.	i.e.	X
admet-1879	272	10	solubility	solubility	NOUN
admet-1879	272	11	of	of	ADP
admet-1879	272	12	the	the	DET
admet-1879	272	13	uncharged	uncharged	ADJ
admet-1879	272	14	form	form	NOUN
admet-1879	272	15	of	of	ADP
admet-1879	272	16	the	the	DET
admet-1879	272	17	compound	compound	NOUN
admet-1879	272	18	,	,	PUNCT
admet-1879	272	19	in	in	ADP
admet-1879	272	20	molarity	molarity	NOUN
admet-1879	272	21	units	unit	NOUN
admet-1879	272	22	)	)	PUNCT
admet-1879	272	23	rmse	rmse	NOUN
admet-1879	272	24	correlation	correlation	NOUN
admet-1879	272	25	root	root	NOUN
admet-1879	272	26	-	-	PUNCT
admet-1879	272	27	mean	mean	ADJ
admet-1879	272	28	-	-	PUNCT
admet-1879	272	29	square	square	NOUN
admet-1879	272	30	error	error	NOUN
admet-1879	272	31	:	:	PUNCT
admet-1879	272	32	rmsebias	rmsebia	NOUN
admet-1879	272	33	=	=	PUNCT
admet-1879	272	34	[	[	PUNCT
admet-1879	272	35	1/(n-1	1/(n-1	NUM
admet-1879	272	36	)	)	PUNCT
admet-1879	272	37	σi	σi	NOUN
admet-1879	272	38	(	(	PUNCT
admet-1879	272	39	yi	yi	PROPN
admet-1879	272	40	obs	obs	PROPN
admet-1879	272	41	bias	bias	PROPN
admet-1879	272	42	yi	yi	PROPN
admet-1879	272	43	calc)2	calc)2	NOUN
admet-1879	272	44	]	]	PUNCT
admet-1879	272	45	1/2	1/2	NUM
admet-1879	272	46	,	,	PUNCT
admet-1879	272	47	where	where	SCONJ
admet-1879	272	48	yobs	yob	NOUN
admet-1879	272	49	or	or	CCONJ
admet-1879	272	50	ycalc	ycalc	NOUN
admet-1879	272	51	is	be	AUX
admet-1879	272	52	the	the	DET
admet-1879	272	53	measured	measured	ADJ
admet-1879	272	54	or	or	CCONJ
admet-1879	272	55	calculated	calculate	VERB
admet-1879	272	56	value	value	NOUN
admet-1879	272	57	of	of	ADP
admet-1879	272	58	log	log	NOUN
admet-1879	272	59	s0	s0	PROPN
admet-1879	272	60	,	,	PUNCT
admet-1879	272	61	n	n	NOUN
admet-1879	272	62	=	=	NOUN
admet-1879	272	63	number	number	NOUN
admet-1879	272	64	of	of	ADP
admet-1879	272	65	measurements	measurement	NOUN
admet-1879	272	66	of	of	ADP
admet-1879	272	67	log	log	NOUN
admet-1879	272	68	s0	s0	PROPN
admet-1879	272	69	.	.	PUNCT
admet-1879	273	1	note	note	NOUN
admet-1879	273	2	:	:	PUNCT
admet-1879	273	3	some	some	DET
admet-1879	273	4	statistical	statistical	ADJ
admet-1879	273	5	programs	program	NOUN
admet-1879	273	6	define	define	VERB
admet-1879	273	7	rmse	rmse	NOUN
admet-1879	273	8	slightly	slightly	ADV
admet-1879	273	9	differently	differently	ADV
admet-1879	273	10	:	:	PUNCT
admet-1879	273	11	see	see	VERB
admet-1879	273	12	discussion	discussion	NOUN
admet-1879	273	13	in	in	ADP
admet-1879	273	14	ref	ref	NOUN
admet-1879	273	15	.	.	PUNCT
admet-1879	274	1	[	[	X
admet-1879	274	2	35	35	NUM
admet-1879	274	3	]	]	PUNCT
admet-1879	274	4	.	.	PUNCT
admet-1879	275	1	‘	'	PUNCT
admet-1879	275	2	validation	validation	NOUN
admet-1879	275	3	’	'	PUNCT
admet-1879	275	4	type	type	NOUN
admet-1879	275	5	rmseval	rmseval	NOUN
admet-1879	275	6	=	=	PUNCT
admet-1879	276	1	[	[	X
admet-1879	276	2	1	1	NUM
admet-1879	276	3	/	/	SYM
admet-1879	276	4	n	n	PRON
admet-1879	276	5	σi	σi	NOUN
admet-1879	276	6	(	(	PUNCT
admet-1879	276	7	yi	yi	PROPN
admet-1879	276	8	obs	obs	PROPN
admet-1879	276	9	yi	yi	PROPN
admet-1879	276	10	calc)2]1/2	calc)2]1/2	PROPN
admet-1879	276	11	r2	r2	PROPN
admet-1879	276	12	correlation	correlation	NOUN
admet-1879	276	13	coefficient	coefficient	NOUN
admet-1879	276	14	of	of	ADP
admet-1879	276	15	determination	determination	NOUN
admet-1879	276	16	,	,	PUNCT
admet-1879	276	17	r2	r2	NOUN
admet-1879	276	18	bias	bias	NOUN
admet-1879	276	19	=	=	SYM
admet-1879	276	20	1	1	NUM
admet-1879	276	21	σi(yi	σi(yi	PROPN
admet-1879	276	22	obs	obs	PROPN
admet-1879	276	23	bias	bias	PROPN
admet-1879	276	24	yi	yi	PROPN
admet-1879	276	25	calc)2	calc)2	NOUN
admet-1879	276	26	/	/	SYM
admet-1879	276	27	σi(yi	σi(yi	PROPN
admet-1879	276	28	obs	obs	PROPN
admet-1879	276	29	<	<	X
admet-1879	276	30	yobs>)2	yobs>)2	NOUN
admet-1879	276	31	,	,	PUNCT
admet-1879	276	32	where	where	SCONJ
admet-1879	276	33	y	y	PROPN
admet-1879	276	34	=	=	PUNCT
admet-1879	276	35	log	log	NOUN
admet-1879	276	36	s0	s0	PROPN
admet-1879	276	37	,	,	PUNCT
admet-1879	276	38	and	and	CCONJ
admet-1879	276	39	<	<	X
admet-1879	276	40	yobs	yob	NOUN
admet-1879	276	41	>	>	X
admet-1879	276	42	is	be	AUX
admet-1879	276	43	the	the	DET
admet-1879	276	44	mean	mean	ADJ
admet-1879	276	45	value	value	NOUN
admet-1879	276	46	of	of	ADP
admet-1879	276	47	measured	measure	VERB
admet-1879	276	48	log	log	NOUN
admet-1879	276	49	s0	s0	PROPN
admet-1879	276	50	.	.	PUNCT
admet-1879	277	1	note	note	NOUN
admet-1879	277	2	:	:	PUNCT
admet-1879	277	3	some	some	DET
admet-1879	277	4	statistical	statistical	ADJ
admet-1879	277	5	programs	program	NOUN
admet-1879	277	6	define	define	VERB
admet-1879	277	7	r2	r2	PROPN
admet-1879	277	8	slightly	slightly	ADV
admet-1879	277	9	differently	differently	ADV
admet-1879	277	10	.	.	PUNCT
admet-1879	278	1	‘	'	PUNCT
admet-1879	278	2	validation	validation	NOUN
admet-1879	278	3	’	'	PUNCT
admet-1879	278	4	type	type	NOUN
admet-1879	278	5	[	[	X
admet-1879	278	6	35	35	NUM
admet-1879	278	7	]	]	X
admet-1879	278	8	r2	r2	NOUN
admet-1879	278	9	val	val	NOUN
admet-1879	278	10	=	=	SYM
admet-1879	278	11	1	1	X
admet-1879	278	12	σi(yi	σi(yi	PROPN
admet-1879	278	13	obs	obs	PROPN
admet-1879	278	14	yi	yi	PROPN
admet-1879	278	15	calc)2	calc)2	NOUN
admet-1879	278	16	/	/	SYM
admet-1879	278	17	σi(yi	σi(yi	PROPN
admet-1879	278	18	obs	obs	PROPN
admet-1879	278	19	<	<	X
admet-1879	278	20	yobs>)2	yobs>)2	NOUN
admet-1879	278	21	bias	bias	NOUN
admet-1879	278	22	intercept	intercept	NOUN
admet-1879	278	23	(	(	PUNCT
admet-1879	278	24	a	a	NOUN
admet-1879	278	25	)	)	PUNCT
admet-1879	278	26	in	in	ADP
admet-1879	278	27	the	the	DET
admet-1879	278	28	correlation	correlation	NOUN
admet-1879	278	29	fit	fit	NOUN
admet-1879	278	30	:	:	PUNCT
admet-1879	278	31	yobs	yob	NOUN
admet-1879	278	32	=	=	PUNCT
admet-1879	278	33	a	a	DET
admet-1879	278	34	+	+	NUM
admet-1879	278	35	bycalc	bycalc	NOUN
admet-1879	278	36	,	,	PUNCT
admet-1879	278	37	where	where	SCONJ
admet-1879	278	38	the	the	DET
admet-1879	278	39	slope	slope	NOUN
admet-1879	278	40	factor	factor	NOUN
admet-1879	278	41	b	b	PROPN
admet-1879	278	42	is	be	AUX
admet-1879	278	43	fixed	fix	VERB
admet-1879	278	44	at	at	ADP
admet-1879	278	45	unity	unity	NOUN
admet-1879	278	46	.	.	PUNCT
admet-1879	279	1	sd	sd	ADP
admet-1879	279	2	standard	standard	ADJ
admet-1879	279	3	deviation	deviation	NOUN
admet-1879	279	4	:	:	PUNCT
admet-1879	279	5	sd	sd	ADP
admet-1879	279	6	=	=	PUNCT
admet-1879	280	1	[	[	X
admet-1879	280	2	1	1	NUM
admet-1879	280	3	/	/	SYM
admet-1879	280	4	n	n	NUM
admet-1879	280	5	σi(yi	σi(yi	PROPN
admet-1879	280	6	obs	obs	PROPN
admet-1879	280	7	<	<	PROPN
admet-1879	280	8	y>)2]1/2	y>)2]1/2	PROPN
admet-1879	280	9	,	,	PUNCT
admet-1879	280	10	where	where	SCONJ
admet-1879	280	11	n	n	NOUN
admet-1879	280	12	=	=	NOUN
admet-1879	280	13	number	number	NOUN
admet-1879	280	14	of	of	ADP
admet-1879	280	15	measurements	measurement	NOUN
admet-1879	280	16	,	,	PUNCT
admet-1879	280	17	<	<	X
admet-1879	280	18	y	y	X
admet-1879	280	19	>	>	X
admet-1879	280	20	=	=	SYM
admet-1879	281	1	mean	mean	ADJ
admet-1879	281	2	value	value	NOUN
admet-1879	281	3	of	of	ADP
admet-1879	281	4	log	log	NOUN
admet-1879	281	5	s0	s0	PROPN
admet-1879	281	6	.	.	PUNCT
admet-1879	282	1	mpp	mpp	PROPN
admet-1879	282	2	measure	measure	NOUN
admet-1879	282	3	of	of	ADP
admet-1879	282	4	prediction	prediction	NOUN
admet-1879	282	5	performance	performance	NOUN
admet-1879	282	6	[	[	X
admet-1879	282	7	2	2	NUM
admet-1879	282	8	]	]	PUNCT
admet-1879	282	9	.	.	PUNCT
admet-1879	283	1	it	it	PRON
admet-1879	283	2	refers	refer	VERB
admet-1879	283	3	to	to	ADP
admet-1879	283	4	the	the	DET
admet-1879	283	5	percent	percent	NOUN
admet-1879	283	6	of	of	ADP
admet-1879	283	7	‘	'	PUNCT
admet-1879	283	8	correct	correct	ADJ
admet-1879	283	9	’	'	PUNCT
admet-1879	283	10	predictions	prediction	NOUN
admet-1879	283	11	,	,	PUNCT
admet-1879	283	12	defined	define	VERB
admet-1879	283	13	as	as	ADP
admet-1879	283	14	the	the	DET
admet-1879	283	15	percentage	percentage	NOUN
admet-1879	283	16	of	of	ADP
admet-1879	283	17	log	log	NOUN
admet-1879	283	18	residuals	residual	NOUN
admet-1879	283	19	within	within	ADP
admet-1879	283	20	0.5	0.5	NUM
admet-1879	283	21	log	log	NOUN
admet-1879	283	22	unit	unit	NOUN
admet-1879	283	23	of	of	ADP
admet-1879	283	24	the	the	DET
admet-1879	283	25	identity	identity	NOUN
admet-1879	283	26	line	line	NOUN
admet-1879	283	27	.	.	PUNCT
admet-1879	284	1	mpp	mpp	NOUN
admet-1879	284	2	is	be	AUX
admet-1879	284	3	represented	represent	VERB
admet-1879	284	4	as	as	ADP
admet-1879	284	5	a	a	DET
admet-1879	284	6	pie	pie	NOUN
admet-1879	284	7	chart	chart	NOUN
admet-1879	284	8	in	in	ADP
admet-1879	284	9	the	the	DET
admet-1879	284	10	correlation	correlation	NOUN
admet-1879	284	11	plots	plot	NOUN
admet-1879	284	12	.	.	PUNCT
admet-1879	285	1	abraham	abraham	PROPN
admet-1879	285	2	solvation	solvation	NOUN
admet-1879	285	3	descriptors	descriptor	VERB
admet-1879	285	4	a	a	DET
admet-1879	285	5	h	h	NOUN
admet-1879	285	6	-	-	PUNCT
admet-1879	285	7	bond	bond	NOUN
admet-1879	285	8	total	total	ADJ
admet-1879	285	9	acidity	acidity	NOUN
admet-1879	285	10	(	(	PUNCT
admet-1879	285	11	donor	donor	NOUN
admet-1879	285	12	potential	potential	NOUN
admet-1879	285	13	)	)	PUNCT
admet-1879	285	14	b	b	NOUN
admet-1879	285	15	h	h	X
admet-1879	285	16	-	-	PUNCT
admet-1879	285	17	bond	bond	NOUN
admet-1879	285	18	total	total	NOUN
admet-1879	285	19	basicity	basicity	NOUN
admet-1879	285	20	(	(	PUNCT
admet-1879	285	21	acceptor	acceptor	NOUN
admet-1879	285	22	potential	potential	NOUN
admet-1879	285	23	)	)	PUNCT
admet-1879	285	24	sπ	sπ	NOUN
admet-1879	285	25	dipolarity	dipolarity	NOUN
admet-1879	285	26	/	/	SYM
admet-1879	285	27	polarizability	polarizability	NOUN
admet-1879	285	28	due	due	ADP
admet-1879	285	29	to	to	ADP
admet-1879	285	30	solute	solute	VERB
admet-1879	285	31	-	-	PUNCT
admet-1879	285	32	solvent	solvent	ADJ
admet-1879	285	33	interactions	interaction	NOUN
admet-1879	285	34	between	between	ADP
admet-1879	285	35	bond	bond	NOUN
admet-1879	285	36	dipoles	dipole	NOUN
admet-1879	285	37	and	and	CCONJ
admet-1879	285	38	induced	induce	VERB
admet-1879	285	39	dipoles	dipole	NOUN
admet-1879	285	40	e	e	NOUN
admet-1879	285	41	excess	excess	ADJ
admet-1879	285	42	molar	molar	ADJ
admet-1879	285	43	refraction	refraction	NOUN
admet-1879	285	44	(	(	PUNCT
admet-1879	285	45	dm3	dm3	PROPN
admet-1879	285	46	mol-1	mol-1	X
admet-1879	285	47	/	/	SYM
admet-1879	285	48	10	10	NUM
admet-1879	285	49	)	)	PUNCT
admet-1879	285	50	;	;	PUNCT
admet-1879	285	51	which	which	PRON
admet-1879	285	52	models	model	VERB
admet-1879	285	53	dispersion	dispersion	NOUN
admet-1879	285	54	force	force	NOUN
admet-1879	285	55	interaction	interaction	NOUN
admet-1879	285	56	arising	arise	VERB
admet-1879	285	57	from	from	ADP
admet-1879	285	58	π	π	PROPN
admet-1879	285	59	and	and	CCONJ
admet-1879	285	60	n	n	CCONJ
admet-1879	285	61	-	-	PUNCT
admet-1879	285	62	electrons	electron	NOUN
admet-1879	285	63	of	of	ADP
admet-1879	285	64	the	the	DET
admet-1879	285	65	solute	solute	NOUN
admet-1879	285	66	v	v	ADP
admet-1879	285	67	mcgowan	mcgowan	PROPN
admet-1879	285	68	molar	molar	PROPN
admet-1879	285	69	volume	volume	NOUN
admet-1879	285	70	(	(	PUNCT
admet-1879	285	71	dm3	dm3	PROPN
admet-1879	285	72	mol-1	mol-1	X
admet-1879	285	73	/	/	SYM
admet-1879	285	74	100	100	NUM
admet-1879	285	75	)	)	PUNCT
admet-1879	285	76	a·b	a·b	VERB
admet-1879	285	77	acid	acid	NOUN
admet-1879	285	78	-	-	PUNCT
admet-1879	285	79	base	base	NOUN
admet-1879	285	80	h	h	NOUN
admet-1879	285	81	-	-	PUNCT
admet-1879	285	82	bonding	bond	VERB
admet-1879	285	83	product	product	NOUN
admet-1879	285	84	descriptor	descriptor	NOUN
admet-1879	285	85	used	use	VERB
admet-1879	285	86	in	in	ADP
admet-1879	285	87	absolv	absolv	ADJ
admet-1879	285	88	solubility	solubility	NOUN
admet-1879	285	89	prediction	prediction	NOUN
admet-1879	285	90	availability	availability	NOUN
admet-1879	285	91	of	of	ADP
admet-1879	285	92	the	the	DET
admet-1879	285	93	wiki	wiki	NOUN
admet-1879	285	94	-	-	PUNCT
admet-1879	285	95	ps0	ps0	ADJ
admet-1879	285	96	database	database	NOUN
admet-1879	285	97	:	:	PUNCT
admet-1879	285	98	a	a	DET
admet-1879	285	99	book	book	NOUN
admet-1879	285	100	tentatively	tentatively	ADV
admet-1879	285	101	entitled	entitle	VERB
admet-1879	285	102	:	:	PUNCT
admet-1879	285	103	“	"	PUNCT
admet-1879	285	104	predicting	predict	VERB
admet-1879	285	105	solubility	solubility	NOUN
admet-1879	285	106	of	of	ADP
admet-1879	285	107	new	new	ADJ
admet-1879	285	108	drugs	drug	NOUN
admet-1879	285	109	handbook	handbook	NOUN
admet-1879	285	110	of	of	ADP
admet-1879	285	111	critically	critically	ADV
admet-1879	285	112	curated	curate	VERB
admet-1879	285	113	data	datum	NOUN
admet-1879	285	114	for	for	ADP
admet-1879	285	115	pharmaceutical	pharmaceutical	ADJ
admet-1879	285	116	research	research	NOUN
admet-1879	285	117	”	"	PUNCT
admet-1879	285	118	is	be	AUX
admet-1879	285	119	under	under	ADP
admet-1879	285	120	review	review	NOUN
admet-1879	285	121	by	by	ADP
admet-1879	285	122	a	a	DET
admet-1879	285	123	publisher	publisher	NOUN
admet-1879	285	124	.	.	PUNCT
admet-1879	286	1	it	it	PRON
admet-1879	286	2	is	be	AUX
admet-1879	286	3	anticipated	anticipate	VERB
admet-1879	286	4	to	to	PART
admet-1879	286	5	be	be	AUX
admet-1879	286	6	available	available	ADJ
admet-1879	286	7	in	in	ADP
admet-1879	286	8	april	april	PROPN
admet-1879	286	9	2024	2024	NUM
admet-1879	286	10	.	.	PUNCT
admet-1879	287	1	acknowledgment	acknowledgment	NOUN
admet-1879	287	2	:	:	PUNCT
admet-1879	287	3	collaborations	collaboration	NOUN
admet-1879	287	4	and	and	CCONJ
admet-1879	287	5	in	in	ADP
admet-1879	287	6	-	-	PUNCT
admet-1879	287	7	depth	depth	NOUN
admet-1879	287	8	discussions	discussion	NOUN
admet-1879	287	9	of	of	ADP
admet-1879	287	10	the	the	DET
admet-1879	287	11	prediction	prediction	NOUN
admet-1879	287	12	of	of	ADP
admet-1879	287	13	drugs	drug	NOUN
admet-1879	287	14	with	with	ADP
admet-1879	287	15	dr	dr	PROPN
admet-1879	287	16	.	.	PROPN
admet-1879	287	17	manfred	manfred	PROPN
admet-1879	287	18	kansy	kansy	PROPN
admet-1879	287	19	(	(	PUNCT
admet-1879	287	20	freiburg	freiburg	PROPN
admet-1879	287	21	,	,	PUNCT
admet-1879	287	22	germany	germany	PROPN
admet-1879	287	23	)	)	PUNCT
admet-1879	287	24	are	be	AUX
admet-1879	287	25	deeply	deeply	ADV
admet-1879	287	26	appreciated	appreciated	ADJ
admet-1879	287	27	.	.	PUNCT
admet-1879	288	1	conflict	conflict	NOUN
admet-1879	288	2	of	of	ADP
admet-1879	288	3	interest	interest	NOUN
admet-1879	288	4	:	:	PUNCT
admet-1879	288	5	none	none	NOUN
admet-1879	288	6	references	reference	VERB
admet-1879	288	7	[	[	X
admet-1879	288	8	1	1	NUM
admet-1879	288	9	]	]	PUNCT
admet-1879	288	10	a.	a.	NOUN
admet-1879	288	11	llinàs	llinàs	PROPN
admet-1879	288	12	,	,	PUNCT
admet-1879	288	13	r.c	r.c	PROPN
admet-1879	288	14	.	.	PROPN
admet-1879	288	15	glen	glen	PROPN
admet-1879	288	16	,	,	PUNCT
admet-1879	288	17	j.m	j.m	PROPN
admet-1879	288	18	.	.	PROPN
admet-1879	288	19	goodman	goodman	PROPN
admet-1879	288	20	.	.	PUNCT
admet-1879	289	1	solubility	solubility	NOUN
admet-1879	289	2	challenge	challenge	NOUN
admet-1879	289	3	:	:	PUNCT
admet-1879	289	4	can	can	AUX
admet-1879	289	5	you	you	PRON
admet-1879	289	6	predict	predict	VERB
admet-1879	289	7	solubilities	solubility	NOUN
admet-1879	289	8	of	of	ADP
admet-1879	289	9	32	32	NUM
admet-1879	289	10	molecules	molecule	NOUN
admet-1879	289	11	using	use	VERB
admet-1879	289	12	a	a	DET
admet-1879	289	13	database	database	NOUN
admet-1879	289	14	of	of	ADP
admet-1879	289	15	100	100	NUM
admet-1879	289	16	reliable	reliable	ADJ
admet-1879	289	17	measurements	measurement	NOUN
admet-1879	289	18	?	?	PUNCT
admet-1879	290	1	journal	journal	NOUN
admet-1879	290	2	of	of	ADP
admet-1879	290	3	chemical	chemical	ADJ
admet-1879	290	4	information	information	NOUN
admet-1879	290	5	and	and	CCONJ
admet-1879	290	6	modeling	model	VERB
admet-1879	290	7	48	48	NUM
admet-1879	290	8	(	(	PUNCT
admet-1879	290	9	2008	2008	NUM
admet-1879	290	10	)	)	PUNCT
admet-1879	290	11	1289	1289	NUM
admet-1879	290	12	-	-	SYM
admet-1879	290	13	1303	1303	NUM
admet-1879	290	14	.	.	PUNCT
admet-1879	291	1	https://doi.org/10.1021/ci800058v	https://doi.org/10.1021/ci800058v	PROPN
admet-1879	291	2	.	.	PUNCT
admet-1879	292	1	[	[	X
admet-1879	292	2	2	2	NUM
admet-1879	292	3	]	]	X
admet-1879	292	4	a.j	a.j	PROPN
admet-1879	292	5	.	.	PROPN
admet-1879	292	6	hopfinger	hopfinger	PROPN
admet-1879	292	7	,	,	PUNCT
admet-1879	292	8	e.x	e.x	PROPN
admet-1879	292	9	.	.	PROPN
admet-1879	292	10	esposito	esposito	PROPN
admet-1879	292	11	,	,	PUNCT
admet-1879	292	12	a.	a.	PROPN
admet-1879	292	13	llinàs	llinàs	PROPN
admet-1879	292	14	,	,	PUNCT
admet-1879	292	15	r.c	r.c	PROPN
admet-1879	292	16	.	.	PROPN
admet-1879	292	17	glen	glen	PROPN
admet-1879	292	18	,	,	PUNCT
admet-1879	292	19	j.m	j.m	PROPN
admet-1879	292	20	.	.	PROPN
admet-1879	292	21	goodman	goodman	PROPN
admet-1879	292	22	.	.	PUNCT
admet-1879	293	1	findings	finding	NOUN
admet-1879	293	2	of	of	ADP
admet-1879	293	3	the	the	DET
admet-1879	293	4	challenge	challenge	NOUN
admet-1879	293	5	to	to	PART
admet-1879	293	6	predict	predict	VERB
admet-1879	293	7	aqueous	aqueous	ADJ
admet-1879	293	8	solubility	solubility	NOUN
admet-1879	293	9	.	.	PUNCT
admet-1879	294	1	journal	journal	PROPN
admet-1879	294	2	of	of	ADP
admet-1879	294	3	chemical	chemical	ADJ
admet-1879	294	4	information	information	NOUN
admet-1879	294	5	and	and	CCONJ
admet-1879	294	6	modeling	model	VERB
admet-1879	294	7	49	49	NUM
admet-1879	294	8	(	(	PUNCT
admet-1879	294	9	2009	2009	NUM
admet-1879	294	10	)	)	PUNCT
admet-1879	294	11	1	1	NUM
admet-1879	294	12	-	-	SYM
admet-1879	294	13	5	5	NUM
admet-1879	294	14	.	.	PUNCT
admet-1879	295	1	https://doi.org/10.1021/ci800436c	https://doi.org/10.1021/ci800436c	ADV
admet-1879	295	2	.	.	PUNCT
admet-1879	296	1	[	[	X
admet-1879	296	2	3	3	NUM
admet-1879	296	3	]	]	PUNCT
admet-1879	296	4	a.	a.	NOUN
admet-1879	296	5	llinas	llinas	PROPN
admet-1879	296	6	,	,	PUNCT
admet-1879	296	7	a.	a.	NOUN
admet-1879	296	8	avdeef	avdeef	PROPN
admet-1879	296	9	.	.	PUNCT
admet-1879	297	1	solubility	solubility	NOUN
admet-1879	297	2	challenge	challenge	NOUN
admet-1879	297	3	revisited	revisit	VERB
admet-1879	297	4	after	after	ADP
admet-1879	297	5	ten	ten	NUM
admet-1879	297	6	years	year	NOUN
admet-1879	297	7	,	,	PUNCT
admet-1879	297	8	with	with	ADP
admet-1879	297	9	multi	multi	ADJ
admet-1879	297	10	-	-	ADJ
admet-1879	297	11	lab	lab	ADJ
admet-1879	297	12	shake	shake	NOUN
admet-1879	297	13	-	-	PUNCT
admet-1879	297	14	flask	flask	NOUN
admet-1879	297	15	data	datum	NOUN
admet-1879	297	16	,	,	PUNCT
admet-1879	297	17	using	use	VERB
admet-1879	297	18	tight	tight	ADJ
admet-1879	297	19	(	(	PUNCT
admet-1879	297	20	sd	sd	ADP
admet-1879	297	21	∼	∼	NOUN
admet-1879	297	22	0.17	0.17	NUM
admet-1879	297	23	log	log	NOUN
admet-1879	297	24	)	)	PUNCT
admet-1879	297	25	and	and	CCONJ
admet-1879	297	26	loose	loose	ADJ
admet-1879	297	27	(	(	PUNCT
admet-1879	297	28	sd	sd	ADP
admet-1879	297	29	∼	∼	NOUN
admet-1879	297	30	0.62	0.62	NUM
admet-1879	297	31	log	log	NOUN
admet-1879	297	32	)	)	PUNCT
admet-1879	297	33	test	test	NOUN
admet-1879	297	34	sets	set	NOUN
admet-1879	297	35	.	.	PUNCT
admet-1879	298	1	journal	journal	NOUN
admet-1879	298	2	of	of	ADP
admet-1879	298	3	chemical	chemical	ADJ
admet-1879	298	4	information	information	NOUN
admet-1879	298	5	and	and	CCONJ
admet-1879	298	6	modeling	model	VERB
admet-1879	298	7	59	59	NUM
admet-1879	298	8	(	(	PUNCT
admet-1879	298	9	2019	2019	NUM
admet-1879	298	10	)	)	PUNCT
admet-1879	298	11	3036	3036	NUM
admet-1879	298	12	-	-	SYM
admet-1879	298	13	3040	3040	NUM
admet-1879	298	14	.	.	PUNCT
admet-1879	299	1	https://doi.org/10.1021/acs.jcim.9b00345	https://doi.org/10.1021/acs.jcim.9b00345	X
admet-1879	299	2	.	.	PUNCT
admet-1879	300	1	https://doi.org/10.5599/admet.1879	https://doi.org/10.5599/admet.1879	PROPN
admet-1879	300	2	https://doi.org/10.1021/ci800058v	https://doi.org/10.1021/ci800058v	VERB
admet-1879	300	3	https://doi.org/10.1021/ci800436c	https://doi.org/10.1021/ci800436c	ADV
admet-1879	300	4	https://doi.org/10.1021/acs.jcim.9b00345	https://doi.org/10.1021/acs.jcim.9b00345	PROPN
admet-1879	300	5	a.	a.	NOUN
admet-1879	300	6	avdeef	avdeef	PROPN
admet-1879	300	7	admet	admet	PROPN
admet-1879	300	8	&	&	CCONJ
admet-1879	300	9	dmpk	dmpk	PROPN
admet-1879	300	10	11(3	11(3	NUM
admet-1879	300	11	)	)	PUNCT
admet-1879	300	12	(	(	PUNCT
admet-1879	300	13	2023	2023	NUM
admet-1879	300	14	)	)	PUNCT
admet-1879	300	15	317	317	NUM
admet-1879	300	16	-	-	SYM
admet-1879	300	17	330	330	NUM
admet-1879	300	18	328	328	NUM
admet-1879	300	19	[	[	X
admet-1879	300	20	4	4	NUM
admet-1879	300	21	]	]	PUNCT
admet-1879	300	22	a.	a.	NOUN
admet-1879	300	23	llinas	llinas	PROPN
admet-1879	300	24	,	,	PUNCT
admet-1879	300	25	i.	i.	NOUN
admet-1879	300	26	oprisiu	oprisiu	PROPN
admet-1879	300	27	,	,	PUNCT
admet-1879	300	28	a.	a.	NOUN
admet-1879	300	29	avdeef	avdeef	PROPN
admet-1879	300	30	.	.	PUNCT
admet-1879	301	1	findings	finding	NOUN
admet-1879	301	2	of	of	ADP
admet-1879	301	3	the	the	DET
admet-1879	301	4	second	second	ADJ
admet-1879	301	5	challenge	challenge	NOUN
admet-1879	301	6	to	to	PART
admet-1879	301	7	predict	predict	VERB
admet-1879	301	8	aqueous	aqueous	ADJ
admet-1879	301	9	solubility	solubility	NOUN
admet-1879	301	10	.	.	PUNCT
admet-1879	302	1	j.	j.	PROPN
admet-1879	302	2	chem	chem	PROPN
admet-1879	302	3	.	.	PUNCT
admet-1879	303	1	inf	inf	PROPN
admet-1879	303	2	.	.	PROPN
admet-1879	303	3	model	model	PROPN
admet-1879	303	4	.	.	PUNCT
admet-1879	304	1	60	60	NUM
admet-1879	304	2	(	(	PUNCT
admet-1879	304	3	2020	2020	NUM
admet-1879	304	4	)	)	PUNCT
admet-1879	304	5	4791	4791	NUM
admet-1879	304	6	-	-	SYM
admet-1879	304	7	4803	4803	NUM
admet-1879	304	8	.	.	PUNCT
admet-1879	305	1	https://doi.org/10.1021/acs.jcim.0c00701	https://doi.org/10.1021/acs.jcim.0c00701	PRON
admet-1879	305	2	.	.	PUNCT
admet-1879	306	1	[	[	X
admet-1879	306	2	5	5	X
admet-1879	306	3	]	]	PUNCT
admet-1879	306	4	m.	m.	NOUN
admet-1879	306	5	oja	oja	PROPN
admet-1879	306	6	,	,	PUNCT
admet-1879	306	7	s.	s.	PROPN
admet-1879	306	8	sild	sild	PROPN
admet-1879	306	9	,	,	PUNCT
admet-1879	306	10	g.	g.	PROPN
admet-1879	306	11	piir	piir	PROPN
admet-1879	306	12	,	,	PUNCT
admet-1879	306	13	u.	u.	PROPN
admet-1879	306	14	maran	maran	PROPN
admet-1879	306	15	.	.	PUNCT
admet-1879	307	1	intrinsic	intrinsic	ADJ
admet-1879	307	2	aqueous	aqueous	ADJ
admet-1879	307	3	solubility	solubility	NOUN
admet-1879	307	4	:	:	PUNCT
admet-1879	307	5	mechanistically	mechanistically	ADV
admet-1879	307	6	transparent	transparent	ADJ
admet-1879	307	7	data	data	NOUN
admet-1879	307	8	-	-	PUNCT
admet-1879	307	9	driven	drive	VERB
admet-1879	307	10	modeling	modeling	NOUN
admet-1879	307	11	of	of	ADP
admet-1879	307	12	drug	drug	NOUN
admet-1879	307	13	substances	substance	NOUN
admet-1879	307	14	.	.	PUNCT
admet-1879	308	1	pharmaceutics	pharmaceutic	NOUN
admet-1879	308	2	14	14	NUM
admet-1879	308	3	(	(	PUNCT
admet-1879	308	4	2022	2022	NUM
admet-1879	308	5	)	)	PUNCT
admet-1879	308	6	2248	2248	NUM
admet-1879	308	7	.	.	PUNCT
admet-1879	309	1	https://doi.org/10.3390/pharmaceutics14102248	https://doi.org/10.3390/pharmaceutics14102248	NOUN
admet-1879	309	2	.	.	PUNCT
admet-1879	310	1	[	[	X
admet-1879	310	2	6	6	NUM
admet-1879	310	3	]	]	X
admet-1879	310	4	d.s	d.s	PROPN
admet-1879	310	5	.	.	PROPN
admet-1879	310	6	palmer	palmer	PROPN
admet-1879	310	7	,	,	PUNCT
admet-1879	310	8	j.b.o	j.b.o	PROPN
admet-1879	310	9	.	.	PROPN
admet-1879	310	10	mitchell	mitchell	PROPN
admet-1879	310	11	.	.	PUNCT
admet-1879	310	12	is	be	AUX
admet-1879	310	13	experimental	experimental	ADJ
admet-1879	310	14	data	datum	NOUN
admet-1879	310	15	quality	quality	NOUN
admet-1879	310	16	the	the	DET
admet-1879	310	17	limiting	limit	VERB
admet-1879	310	18	factor	factor	NOUN
admet-1879	310	19	in	in	ADP
admet-1879	310	20	predicting	predict	VERB
admet-1879	310	21	the	the	DET
admet-1879	310	22	aqueous	aqueous	ADJ
admet-1879	310	23	solubility	solubility	NOUN
admet-1879	310	24	of	of	ADP
admet-1879	310	25	druglike	druglike	ADJ
admet-1879	310	26	molecules	molecule	NOUN
admet-1879	310	27	?	?	PUNCT
admet-1879	311	1	molecular	molecular	ADJ
admet-1879	311	2	pharmaceutics	pharmaceutic	NOUN
admet-1879	311	3	11	11	NUM
admet-1879	311	4	(	(	PUNCT
admet-1879	311	5	2014	2014	NUM
admet-1879	311	6	)	)	PUNCT
admet-1879	311	7	2962	2962	NUM
admet-1879	311	8	-	-	SYM
admet-1879	311	9	2972	2972	NUM
admet-1879	311	10	.	.	PUNCT
admet-1879	312	1	https://doi.org/10.1021/mp500103r	https://doi.org/10.1021/mp500103r	X
admet-1879	312	2	.	.	PUNCT
admet-1879	313	1	[	[	X
admet-1879	313	2	7	7	NUM
admet-1879	313	3	]	]	PUNCT
admet-1879	313	4	a.	a.	NOUN
admet-1879	313	5	avdeef	avdeef	PROPN
admet-1879	313	6	.	.	PUNCT
admet-1879	314	1	predicting	predict	VERB
admet-1879	314	2	solubility	solubility	NOUN
admet-1879	314	3	of	of	ADP
admet-1879	314	4	new	new	ADJ
admet-1879	314	5	drugs	drug	NOUN
admet-1879	314	6	handbook	handbook	NOUN
admet-1879	314	7	of	of	ADP
admet-1879	314	8	critically	critically	ADV
admet-1879	314	9	curated	curate	VERB
admet-1879	314	10	data	datum	NOUN
admet-1879	314	11	for	for	ADP
admet-1879	314	12	pharmaceutical	pharmaceutical	ADJ
admet-1879	314	13	research	research	NOUN
admet-1879	314	14	.	.	PUNCT
admet-1879	315	1	crc	crc	PROPN
admet-1879	315	2	press	press	PROPN
admet-1879	315	3	,	,	PUNCT
admet-1879	315	4	boca	boca	PROPN
admet-1879	315	5	raton	raton	PROPN
admet-1879	315	6	,	,	PUNCT
admet-1879	315	7	fl	fl	PROPN
admet-1879	315	8	,	,	PUNCT
admet-1879	315	9	usa	usa	PROPN
admet-1879	315	10	,	,	PUNCT
admet-1879	315	11	2024	2024	NUM
admet-1879	315	12	isbn	isbn	NOUN
admet-1879	315	13	:	:	PUNCT
admet-1879	315	14	978	978	NUM
admet-1879	315	15	-	-	SYM
admet-1879	315	16	1032617671	1032617671	NUM
admet-1879	315	17	.	.	PUNCT
admet-1879	316	1	https://www.barnesandnoble.com/w/predicting-solubility-of-new-drugs-alex-avdeef/1143832638	https://www.barnesandnoble.com/w/predicting-solubility-of-new-drugs-alex-avdeef/1143832638	NOUN
admet-1879	316	2	.	.	PUNCT
admet-1879	317	1	[	[	X
admet-1879	317	2	8	8	NUM
admet-1879	317	3	]	]	PUNCT
admet-1879	317	4	a.	a.	NOUN
admet-1879	317	5	avdeef	avdeef	PROPN
admet-1879	317	6	.	.	PUNCT
admet-1879	318	1	suggested	suggest	VERB
admet-1879	318	2	improvements	improvement	NOUN
admet-1879	318	3	for	for	ADP
admet-1879	318	4	measurement	measurement	NOUN
admet-1879	318	5	of	of	ADP
admet-1879	318	6	equilibrium	equilibrium	NOUN
admet-1879	318	7	solubility	solubility	NOUN
admet-1879	318	8	-	-	PUNCT
admet-1879	318	9	ph	ph	NOUN
admet-1879	318	10	of	of	ADP
admet-1879	318	11	ionizable	ionizable	ADJ
admet-1879	318	12	drugs	drug	NOUN
admet-1879	318	13	.	.	PUNCT
admet-1879	319	1	admet	admet	PROPN
admet-1879	319	2	&	&	CCONJ
admet-1879	319	3	dmpk	dmpk	PROPN
admet-1879	319	4	3	3	NUM
admet-1879	319	5	(	(	PUNCT
admet-1879	319	6	2105	2105	NUM
admet-1879	319	7	)	)	PUNCT
admet-1879	319	8	84	84	NUM
admet-1879	319	9	-	-	SYM
admet-1879	319	10	109	109	NUM
admet-1879	319	11	.	.	PUNCT
admet-1879	320	1	https://doi.org/10.5599/admet.3.2.193	https://doi.org/10.5599/admet.3.2.193	PROPN
admet-1879	320	2	.	.	PUNCT
admet-1879	321	1	[	[	X
admet-1879	321	2	9	9	NUM
admet-1879	321	3	]	]	PUNCT
admet-1879	321	4	a.	a.	NOUN
admet-1879	321	5	avdeef	avdeef	PROPN
admet-1879	321	6	,	,	PUNCT
admet-1879	321	7	e.	e.	PROPN
admet-1879	321	8	fuguet	fuguet	PROPN
admet-1879	321	9	,	,	PUNCT
admet-1879	321	10	a.	a.	PROPN
admet-1879	321	11	llinàs	llinàs	PROPN
admet-1879	321	12	,	,	PUNCT
admet-1879	321	13	c.	c.	PROPN
admet-1879	321	14	ràfols	ràfols	PROPN
admet-1879	321	15	,	,	PUNCT
admet-1879	321	16	e.	e.	PROPN
admet-1879	321	17	bosch	bosch	PROPN
admet-1879	321	18	,	,	PUNCT
admet-1879	321	19	g.	g.	PROPN
admet-1879	321	20	völgyi	völgyi	PROPN
admet-1879	321	21	,	,	PUNCT
admet-1879	321	22	t.	t.	NOUN
admet-1879	321	23	verbić	verbić	PROPN
admet-1879	321	24	,	,	PUNCT
admet-1879	321	25	e.	e.	PROPN
admet-1879	321	26	boldyreva	boldyreva	PROPN
admet-1879	321	27	,	,	PUNCT
admet-1879	321	28	k.	k.	PROPN
admet-1879	321	29	takács	takács	PROPN
admet-1879	321	30	-	-	PUNCT
admet-1879	321	31	novák	novák	PROPN
admet-1879	321	32	.	.	PUNCT
admet-1879	321	33	equilibrium	equilibrium	NOUN
admet-1879	321	34	solubility	solubility	NOUN
admet-1879	321	35	measurement	measurement	NOUN
admet-1879	321	36	of	of	ADP
admet-1879	321	37	ionizable	ionizable	ADJ
admet-1879	321	38	drugs	drug	NOUN
admet-1879	321	39	–	–	PUNCT
admet-1879	321	40	consensus	consensus	NOUN
admet-1879	321	41	recommendations	recommendation	NOUN
admet-1879	321	42	for	for	ADP
admet-1879	321	43	improving	improve	VERB
admet-1879	321	44	data	datum	NOUN
admet-1879	321	45	quality	quality	NOUN
admet-1879	321	46	.	.	PUNCT
admet-1879	322	1	admet	admet	PROPN
admet-1879	322	2	&	&	CCONJ
admet-1879	322	3	dmpk	dmpk	PROPN
admet-1879	322	4	4	4	NUM
admet-1879	322	5	(	(	PUNCT
admet-1879	322	6	2016	2016	NUM
admet-1879	322	7	)	)	PUNCT
admet-1879	322	8	117	117	NUM
admet-1879	322	9	-	-	SYM
admet-1879	322	10	178	178	NUM
admet-1879	322	11	.	.	PUNCT
admet-1879	323	1	https://doi.org/10.5599/admet.4.2.292	https://doi.org/10.5599/admet.4.2.292	PRON
admet-1879	323	2	.	.	PUNCT
admet-1879	324	1	[	[	X
admet-1879	324	2	10	10	NUM
admet-1879	324	3	]	]	PUNCT
admet-1879	324	4	a.	a.	NOUN
admet-1879	324	5	veseli	veseli	PROPN
admet-1879	324	6	,	,	PUNCT
admet-1879	324	7	s.	s.	PROPN
admet-1879	324	8	žakelj	žakelj	PROPN
admet-1879	324	9	,	,	PUNCT
admet-1879	324	10	a.	a.	PROPN
admet-1879	324	11	kristl	kristl	PROPN
admet-1879	324	12	.	.	PUNCT
admet-1879	325	1	a	a	DET
admet-1879	325	2	review	review	NOUN
admet-1879	325	3	of	of	ADP
admet-1879	325	4	methods	method	NOUN
admet-1879	325	5	for	for	ADP
admet-1879	325	6	solubility	solubility	NOUN
admet-1879	325	7	determination	determination	NOUN
admet-1879	325	8	in	in	ADP
admet-1879	325	9	biopharmaceutical	biopharmaceutical	ADJ
admet-1879	325	10	drug	drug	NOUN
admet-1879	325	11	characterization	characterization	NOUN
admet-1879	325	12	.	.	PUNCT
admet-1879	326	1	drug	drug	NOUN
admet-1879	326	2	development	development	NOUN
admet-1879	326	3	and	and	CCONJ
admet-1879	326	4	industrial	industrial	ADJ
admet-1879	326	5	pharmacy	pharmacy	NOUN
admet-1879	326	6	45	45	NUM
admet-1879	326	7	(	(	PUNCT
admet-1879	326	8	2019	2019	NUM
admet-1879	326	9	)	)	PUNCT
admet-1879	326	10	1717	1717	NUM
admet-1879	326	11	-	-	SYM
admet-1879	326	12	1724	1724	NUM
admet-1879	326	13	.	.	PUNCT
admet-1879	327	1	https://doi.org/10.1080/03639045.2019.1665062	https://doi.org/10.1080/03639045.2019.1665062	X
admet-1879	327	2	.	.	PUNCT
admet-1879	328	1	[	[	X
admet-1879	328	2	11	11	NUM
admet-1879	328	3	]	]	PUNCT
admet-1879	328	4	a.	a.	NOUN
admet-1879	328	5	ono	ono	PROPN
admet-1879	328	6	,	,	PUNCT
admet-1879	328	7	n.	n.	PROPN
admet-1879	328	8	matsumura	matsumura	ADV
admet-1879	328	9	,	,	PUNCT
admet-1879	328	10	t.	t.	PROPN
admet-1879	328	11	kimoto	kimoto	PROPN
admet-1879	328	12	,	,	PUNCT
admet-1879	328	13	y.	y.	PROPN
admet-1879	328	14	akiyama	akiyama	PROPN
admet-1879	328	15	,	,	PUNCT
admet-1879	328	16	s.	s.	PROPN
admet-1879	328	17	funaki	funaki	PROPN
admet-1879	328	18	,	,	PUNCT
admet-1879	328	19	n.	n.	PROPN
admet-1879	328	20	tamura	tamura	PROPN
admet-1879	328	21	,	,	PUNCT
admet-1879	328	22	s.	s.	PROPN
admet-1879	328	23	hayashi	hayashi	PROPN
admet-1879	328	24	,	,	PUNCT
admet-1879	328	25	y.	y.	PROPN
admet-1879	328	26	kojima	kojima	PROPN
admet-1879	328	27	,	,	PUNCT
admet-1879	328	28	m.	m.	NOUN
admet-1879	328	29	fushimi	fushimi	PROPN
admet-1879	328	30	,	,	PUNCT
admet-1879	328	31	h.	h.	PROPN
admet-1879	328	32	sudaki	sudaki	PROPN
admet-1879	328	33	,	,	PUNCT
admet-1879	328	34	r.	r.	PROPN
admet-1879	328	35	aihara	aihara	PROPN
admet-1879	328	36	,	,	PUNCT
admet-1879	328	37	y.	y.	PROPN
admet-1879	328	38	haruna	haruna	PROPN
admet-1879	328	39	,	,	PUNCT
admet-1879	328	40	m.	m.	NOUN
admet-1879	328	41	jiko	jiko	PROPN
admet-1879	328	42	,	,	PUNCT
admet-1879	328	43	m.	m.	NOUN
admet-1879	328	44	iwasaki	iwasaki	PROPN
admet-1879	328	45	,	,	PUNCT
admet-1879	328	46	t.	t.	PROPN
admet-1879	328	47	fujita	fujita	PROPN
admet-1879	328	48	,	,	PUNCT
admet-1879	328	49	k.	k.	PROPN
admet-1879	328	50	sugano	sugano	PROPN
admet-1879	328	51	.	.	PUNCT
admet-1879	329	1	harmonizing	harmonize	VERB
admet-1879	329	2	solubility	solubility	NOUN
admet-1879	329	3	measurement	measurement	NOUN
admet-1879	329	4	to	to	PART
admet-1879	329	5	lower	lower	VERB
admet-1879	329	6	inter	inter	ADJ
admet-1879	329	7	-	-	ADJ
admet-1879	329	8	laboratory	laboratory	ADJ
admet-1879	329	9	variance	variance	NOUN
admet-1879	329	10	–	–	PUNCT
admet-1879	329	11	progress	progress	NOUN
admet-1879	329	12	of	of	ADP
admet-1879	329	13	consortium	consortium	NOUN
admet-1879	329	14	of	of	ADP
admet-1879	329	15	biopharmaceutical	biopharmaceutical	ADJ
admet-1879	329	16	tools	tool	NOUN
admet-1879	329	17	(	(	PUNCT
admet-1879	329	18	cobito	cobito	ADJ
admet-1879	329	19	)	)	PUNCT
admet-1879	329	20	in	in	ADP
admet-1879	329	21	japan	japan	PROPN
admet-1879	329	22	.	.	PUNCT
admet-1879	330	1	admet	admet	PROPN
admet-1879	330	2	&	&	CCONJ
admet-1879	330	3	dmpk	dmpk	PROPN
admet-1879	330	4	7	7	NUM
admet-1879	330	5	(	(	PUNCT
admet-1879	330	6	2019	2019	NUM
admet-1879	330	7	)	)	PUNCT
admet-1879	330	8	183	183	NUM
admet-1879	330	9	-	-	SYM
admet-1879	330	10	195	195	NUM
admet-1879	330	11	.	.	PUNCT
admet-1879	330	12	http://dx.doi.org/10.5599/admet.704	http://dx.doi.org/10.5599/admet.704	NOUN
admet-1879	330	13	.	.	PUNCT
admet-1879	331	1	[	[	X
admet-1879	331	2	12	12	NUM
admet-1879	331	3	]	]	PUNCT
admet-1879	331	4	m.	m.	NOUN
admet-1879	331	5	vertzoni	vertzoni	PROPN
admet-1879	331	6	,	,	PUNCT
admet-1879	331	7	j.	j.	PROPN
admet-1879	331	8	alsenz	alsenz	PROPN
admet-1879	331	9	,	,	PUNCT
admet-1879	331	10	p.	p.	NOUN
admet-1879	331	11	augustijns	augustijns	NOUN
admet-1879	331	12	,	,	PUNCT
admet-1879	331	13	a.	a.	PROPN
admet-1879	331	14	bauer	bauer	PROPN
admet-1879	331	15	-	-	PUNCT
admet-1879	331	16	brandl	brandl	PROPN
admet-1879	331	17	,	,	PUNCT
admet-1879	331	18	c.a.s	c.a.	VERB
admet-1879	331	19	.	.	PROPN
admet-1879	331	20	bergström	bergström	PROPN
admet-1879	331	21	,	,	PUNCT
admet-1879	331	22	j.	j.	PROPN
admet-1879	331	23	brouwers	brouwers	PROPN
admet-1879	331	24	,	,	PUNCT
admet-1879	331	25	a.	a.	NOUN
admet-1879	331	26	müllerz	müllerz	PROPN
admet-1879	331	27	,	,	PUNCT
admet-1879	331	28	g.	g.	PROPN
admet-1879	331	29	perlovich	perlovich	PROPN
admet-1879	331	30	,	,	PUNCT
admet-1879	331	31	c.	c.	PROPN
admet-1879	331	32	saal	saal	PROPN
admet-1879	331	33	,	,	PUNCT
admet-1879	331	34	k.	k.	PROPN
admet-1879	331	35	sugano	sugano	PROPN
admet-1879	331	36	,	,	PUNCT
admet-1879	331	37	c.	c.	PROPN
admet-1879	331	38	reppas	reppas	PROPN
admet-1879	331	39	.	.	PUNCT
admet-1879	332	1	ungap	ungap	NOUN
admet-1879	332	2	best	good	ADJ
admet-1879	332	3	practice	practice	NOUN
admet-1879	332	4	for	for	ADP
admet-1879	332	5	improving	improve	VERB
admet-1879	332	6	solubility	solubility	NOUN
admet-1879	332	7	data	datum	NOUN
admet-1879	332	8	quality	quality	NOUN
admet-1879	332	9	of	of	ADP
admet-1879	332	10	orally	orally	ADV
admet-1879	332	11	administered	administer	VERB
admet-1879	332	12	drugs	drug	NOUN
admet-1879	332	13	.	.	PUNCT
admet-1879	333	1	european	european	ADJ
admet-1879	333	2	journal	journal	PROPN
admet-1879	333	3	of	of	ADP
admet-1879	333	4	pharmaceutical	pharmaceutical	PROPN
admet-1879	333	5	sciences	science	NOUN
admet-1879	333	6	168	168	NUM
admet-1879	333	7	(	(	PUNCT
admet-1879	333	8	2022	2022	NUM
admet-1879	333	9	)	)	PUNCT
admet-1879	333	10	106043	106043	NUM
admet-1879	333	11	.	.	PUNCT
admet-1879	334	1	https://doi.org/10.1016/j.ejps.2021.106043	https://doi.org/10.1016/j.ejps.2021.106043	NOUN
admet-1879	334	2	.	.	PUNCT
admet-1879	335	1	[	[	X
admet-1879	335	2	13	13	NUM
admet-1879	335	3	]	]	X
admet-1879	335	4	n.	n.	PROPN
admet-1879	335	5	sun	sun	PROPN
admet-1879	335	6	,	,	PUNCT
admet-1879	335	7	a.	a.	NOUN
admet-1879	335	8	avdeef	avdeef	PROPN
admet-1879	335	9	.	.	PUNCT
admet-1879	336	1	biorelevant	biorelevant	PROPN
admet-1879	336	2	pka	pka	PROPN
admet-1879	336	3	(	(	PUNCT
admet-1879	336	4	37	37	NUM
admet-1879	336	5	oc	oc	NOUN
admet-1879	336	6	)	)	PUNCT
admet-1879	336	7	predicted	predict	VERB
admet-1879	336	8	from	from	ADP
admet-1879	336	9	the	the	DET
admet-1879	336	10	2d	2d	NUM
admet-1879	336	11	structure	structure	NOUN
admet-1879	336	12	of	of	ADP
admet-1879	336	13	the	the	DET
admet-1879	336	14	molecule	molecule	NOUN
admet-1879	336	15	and	and	CCONJ
admet-1879	336	16	its	its	PRON
admet-1879	336	17	pka	pka	NOUN
admet-1879	336	18	at	at	ADP
admet-1879	336	19	25oc	25oc	NOUN
admet-1879	336	20	.	.	PUNCT
admet-1879	337	1	journal	journal	PROPN
admet-1879	337	2	of	of	ADP
admet-1879	337	3	pharmaceutical	pharmaceutical	NOUN
admet-1879	337	4	and	and	CCONJ
admet-1879	337	5	biomedical	biomedical	ADJ
admet-1879	337	6	56	56	NUM
admet-1879	337	7	(	(	PUNCT
admet-1879	337	8	2011	2011	NUM
admet-1879	337	9	)	)	PUNCT
admet-1879	337	10	173	173	NUM
admet-1879	337	11	-	-	SYM
admet-1879	337	12	182	182	NUM
admet-1879	337	13	.	.	PUNCT
admet-1879	338	1	https://doi.org/10.1016/j.jpba.2011.05.007	https://doi.org/10.1016/j.jpba.2011.05.007	VERB
admet-1879	338	2	.	.	PUNCT
admet-1879	339	1	[	[	X
admet-1879	339	2	14	14	NUM
admet-1879	339	3	]	]	PUNCT
admet-1879	339	4	a.	a.	NOUN
admet-1879	339	5	avdeef	avdeef	PROPN
admet-1879	339	6	.	.	PUNCT
admet-1879	340	1	solubility	solubility	NOUN
admet-1879	340	2	temperature	temperature	NOUN
admet-1879	340	3	dependence	dependence	NOUN
admet-1879	340	4	predicted	predict	VERB
admet-1879	340	5	from	from	ADP
admet-1879	340	6	2d	2d	NUM
admet-1879	340	7	structure	structure	NOUN
admet-1879	340	8	.	.	PUNCT
admet-1879	341	1	admet	admet	PROPN
admet-1879	341	2	&	&	CCONJ
admet-1879	341	3	dmpk	dmpk	PROPN
admet-1879	341	4	3	3	NUM
admet-1879	341	5	(	(	PUNCT
admet-1879	341	6	2015	2015	NUM
admet-1879	341	7	)	)	PUNCT
admet-1879	341	8	298	298	NUM
admet-1879	341	9	-	-	SYM
admet-1879	341	10	344	344	NUM
admet-1879	341	11	.	.	PUNCT
admet-1879	342	1	https://doi.org/10.5599/admet.3.4.259	https://doi.org/10.5599/admet.3.4.259	NOUN
admet-1879	342	2	.	.	PUNCT
admet-1879	343	1	[	[	X
admet-1879	343	2	15	15	NUM
admet-1879	343	3	]	]	X
admet-1879	343	4	a.	a.	NOUN
admet-1879	343	5	avdeef	avdeef	PROPN
admet-1879	343	6	.	.	PUNCT
admet-1879	344	1	multi	multi	ADJ
admet-1879	344	2	-	-	ADJ
admet-1879	344	3	lab	lab	ADJ
admet-1879	344	4	intrinsic	intrinsic	ADJ
admet-1879	344	5	solubility	solubility	NOUN
admet-1879	344	6	measurement	measurement	NOUN
admet-1879	344	7	reproducibility	reproducibility	NOUN
admet-1879	344	8	in	in	ADP
admet-1879	344	9	cheqsol	cheqsol	NOUN
admet-1879	344	10	and	and	CCONJ
admet-1879	344	11	shake	shake	NOUN
admet-1879	344	12	-	-	PUNCT
admet-1879	344	13	flask	flask	NOUN
admet-1879	344	14	methods	method	NOUN
admet-1879	344	15	.	.	PUNCT
admet-1879	345	1	admet	admet	PROPN
admet-1879	345	2	&	&	CCONJ
admet-1879	345	3	dmpk	dmpk	PROPN
admet-1879	345	4	7	7	NUM
admet-1879	345	5	(	(	PUNCT
admet-1879	345	6	2019	2019	NUM
admet-1879	345	7	)	)	PUNCT
admet-1879	345	8	210	210	NUM
admet-1879	345	9	-	-	SYM
admet-1879	345	10	219	219	NUM
admet-1879	345	11	.	.	PUNCT
admet-1879	345	12	http://dx.doi.org/10.5599/admet.698	http://dx.doi.org/10.5599/admet.698	NOUN
admet-1879	345	13	.	.	PUNCT
admet-1879	346	1	[	[	X
admet-1879	346	2	16	16	NUM
admet-1879	346	3	]	]	PUNCT
admet-1879	346	4	a.	a.	NOUN
admet-1879	346	5	avdeef	avdeef	PROPN
admet-1879	346	6	.	.	PUNCT
admet-1879	347	1	prediction	prediction	NOUN
admet-1879	347	2	of	of	ADP
admet-1879	347	3	aqueous	aqueous	ADJ
admet-1879	347	4	intrinsic	intrinsic	ADJ
admet-1879	347	5	solubility	solubility	NOUN
admet-1879	347	6	of	of	ADP
admet-1879	347	7	druglike	druglike	ADJ
admet-1879	347	8	molecules	molecule	NOUN
admet-1879	347	9	using	use	VERB
admet-1879	347	10	random	random	ADJ
admet-1879	347	11	forest	forest	NOUN
admet-1879	347	12	regression	regression	NOUN
admet-1879	347	13	trained	train	VERB
admet-1879	347	14	with	with	ADP
admet-1879	347	15	wiki	wiki	NOUN
admet-1879	347	16	-	-	PUNCT
admet-1879	347	17	ps0	ps0	ADJ
admet-1879	347	18	database	database	NOUN
admet-1879	347	19	.	.	PUNCT
admet-1879	348	1	admet	admet	PROPN
admet-1879	348	2	&	&	CCONJ
admet-1879	348	3	dmpk	dmpk	PROPN
admet-1879	348	4	8	8	NUM
admet-1879	348	5	(	(	PUNCT
admet-1879	348	6	2020	2020	NUM
admet-1879	348	7	)	)	PUNCT
admet-1879	348	8	29	29	NUM
admet-1879	348	9	-	-	SYM
admet-1879	348	10	77	77	NUM
admet-1879	348	11	.	.	PUNCT
admet-1879	348	12	https://dx.doi.org/10.5599/admet.766	https://dx.doi.org/10.5599/admet.766	ADJ
admet-1879	348	13	.	.	PUNCT
admet-1879	349	1	[	[	X
admet-1879	349	2	17	17	NUM
admet-1879	349	3	]	]	PUNCT
admet-1879	349	4	a.	a.	NOUN
admet-1879	349	5	avdeef	avdeef	PROPN
admet-1879	349	6	,	,	PUNCT
admet-1879	349	7	m.	m.	PROPN
admet-1879	349	8	kansy	kansy	PROPN
admet-1879	349	9	.	.	PUNCT
admet-1879	350	1	can	can	AUX
admet-1879	350	2	small	small	ADJ
admet-1879	350	3	drugs	drug	NOUN
admet-1879	350	4	predict	predict	VERB
admet-1879	350	5	the	the	DET
admet-1879	350	6	intrinsic	intrinsic	ADJ
admet-1879	350	7	aqueous	aqueous	ADJ
admet-1879	350	8	solubility	solubility	NOUN
admet-1879	350	9	of	of	ADP
admet-1879	350	10	‘	'	PUNCT
admet-1879	350	11	beyond	beyond	ADP
admet-1879	350	12	rule	rule	NOUN
admet-1879	350	13	of	of	ADP
admet-1879	350	14	5	5	NUM
admet-1879	350	15	’	'	PUNCT
admet-1879	350	16	big	big	ADJ
admet-1879	350	17	drugs	drug	NOUN
admet-1879	350	18	?	?	PUNCT
admet-1879	351	1	admet	admet	PROPN
admet-1879	351	2	&	&	CCONJ
admet-1879	351	3	dmpk	dmpk	PROPN
admet-1879	351	4	8	8	NUM
admet-1879	351	5	(	(	PUNCT
admet-1879	351	6	2020	2020	NUM
admet-1879	351	7	)	)	PUNCT
admet-1879	351	8	180–206	180–206	NUM
admet-1879	351	9	.	.	PUNCT
admet-1879	352	1	https://dx.doi.org/10.5599/admet.794	https://dx.doi.org/10.5599/admet.794	PROPN
admet-1879	352	2	.	.	PUNCT
admet-1879	353	1	[	[	X
admet-1879	353	2	18	18	NUM
admet-1879	353	3	]	]	PUNCT
admet-1879	353	4	a.	a.	NOUN
admet-1879	353	5	avdeef	avdeef	PROPN
admet-1879	353	6	,	,	PUNCT
admet-1879	353	7	m.	m.	PROPN
admet-1879	353	8	kansy	kansy	PROPN
admet-1879	353	9	.	.	PUNCT
admet-1879	354	1	‘	'	PUNCT
admet-1879	354	2	flexible	flexible	ADJ
admet-1879	354	3	-	-	PUNCT
admet-1879	354	4	acceptor	acceptor	NOUN
admet-1879	354	5	’	'	PUNCT
admet-1879	354	6	general	general	ADJ
admet-1879	354	7	solubility	solubility	NOUN
admet-1879	354	8	equation	equation	NOUN
admet-1879	354	9	for	for	ADP
admet-1879	354	10	beyond	beyond	ADP
admet-1879	354	11	rule	rule	NOUN
admet-1879	354	12	of	of	ADP
admet-1879	354	13	5	5	NUM
admet-1879	354	14	drugs	drug	NOUN
admet-1879	354	15	.	.	PUNCT
admet-1879	355	1	mol	mol	PROPN
admet-1879	355	2	.	.	PUNCT
admet-1879	356	1	pharmaceutics	pharmaceutic	NOUN
admet-1879	356	2	17	17	NUM
admet-1879	356	3	(	(	PUNCT
admet-1879	356	4	2021	2021	NUM
admet-1879	356	5	)	)	PUNCT
admet-1879	356	6	3930	3930	NUM
admet-1879	356	7	-	-	SYM
admet-1879	356	8	3940	3940	NUM
admet-1879	356	9	.	.	PUNCT
admet-1879	357	1	https://doi.org/10.1021/acs.molpharmaceut.0c00689	https://doi.org/10.1021/acs.molpharmaceut.0c00689	X
admet-1879	357	2	.	.	PUNCT
admet-1879	358	1	[	[	X
admet-1879	358	2	19	19	NUM
admet-1879	358	3	]	]	PUNCT
admet-1879	358	4	a.	a.	NOUN
admet-1879	358	5	avdeef	avdeef	PROPN
admet-1879	358	6	,	,	PUNCT
admet-1879	358	7	m.	m.	PROPN
admet-1879	358	8	kansy	kansy	PROPN
admet-1879	358	9	.	.	PUNCT
admet-1879	359	1	predicting	predict	VERB
admet-1879	359	2	solubility	solubility	NOUN
admet-1879	359	3	of	of	ADP
admet-1879	359	4	newly	newly	ADV
admet-1879	359	5	-	-	PUNCT
admet-1879	359	6	approved	approve	VERB
admet-1879	359	7	drugs	drug	NOUN
admet-1879	359	8	(	(	PUNCT
admet-1879	359	9	2016	2016	NUM
admet-1879	359	10	-	-	SYM
admet-1879	359	11	2020	2020	NUM
admet-1879	359	12	)	)	PUNCT
admet-1879	359	13	with	with	ADP
admet-1879	359	14	a	a	DET
admet-1879	359	15	simple	simple	ADJ
admet-1879	359	16	absolv	absolv	NOUN
admet-1879	359	17	and	and	CCONJ
admet-1879	359	18	gse(flexible	gse(flexible	ADJ
admet-1879	359	19	-	-	PUNCT
admet-1879	359	20	acceptor	acceptor	NOUN
admet-1879	359	21	)	)	PUNCT
admet-1879	359	22	consensus	consensus	NOUN
admet-1879	359	23	model	model	NOUN
admet-1879	359	24	outperforming	outperform	VERB
admet-1879	359	25	random	random	ADJ
admet-1879	359	26	forest	forest	NOUN
admet-1879	359	27	regression	regression	NOUN
admet-1879	359	28	.	.	PUNCT
admet-1879	360	1	journal	journal	NOUN
admet-1879	360	2	of	of	ADP
admet-1879	360	3	solution	solution	NOUN
admet-1879	360	4	chemistry	chemistry	NOUN
admet-1879	360	5	51	51	NUM
admet-1879	360	6	(	(	PUNCT
admet-1879	360	7	2022	2022	NUM
admet-1879	360	8	)	)	PUNCT
admet-1879	360	9	1020	1020	NUM
admet-1879	360	10	-	-	SYM
admet-1879	360	11	1055	1055	NUM
admet-1879	360	12	.	.	PUNCT
admet-1879	361	1	https://doi.org/10.1007/s10953-022-01141-7	https://doi.org/10.1007/s10953-022-01141-7	NUM
admet-1879	361	2	.	.	PUNCT
admet-1879	362	1	[	[	X
admet-1879	362	2	20	20	NUM
admet-1879	362	3	]	]	PUNCT
admet-1879	362	4	a.	a.	NOUN
admet-1879	362	5	avdeef	avdeef	PROPN
admet-1879	362	6	,	,	PUNCT
admet-1879	362	7	m.	m.	PROPN
admet-1879	362	8	kansy	kansy	PROPN
admet-1879	362	9	.	.	PUNCT
admet-1879	363	1	trends	trend	NOUN
admet-1879	363	2	in	in	ADP
admet-1879	363	3	physchem	physchem	NOUN
admet-1879	363	4	properties	property	NOUN
admet-1879	363	5	of	of	ADP
admet-1879	363	6	newly	newly	ADV
admet-1879	363	7	approved	approve	VERB
admet-1879	363	8	drugs	drug	NOUN
admet-1879	363	9	over	over	ADP
admet-1879	363	10	the	the	DET
admet-1879	363	11	last	last	ADJ
admet-1879	363	12	six	six	NUM
admet-1879	363	13	years	year	NOUN
admet-1879	363	14	,	,	PUNCT
admet-1879	363	15	predicting	predict	VERB
admet-1879	363	16	solubility	solubility	NOUN
admet-1879	363	17	of	of	ADP
admet-1879	363	18	drugs	drug	NOUN
admet-1879	363	19	approved	approve	VERB
admet-1879	363	20	in	in	ADP
admet-1879	363	21	2021	2021	NUM
admet-1879	363	22	.	.	PUNCT
admet-1879	364	1	journal	journal	NOUN
admet-1879	364	2	of	of	ADP
admet-1879	364	3	solution	solution	NOUN
admet-1879	364	4	chemistry	chemistry	NOUN
admet-1879	364	5	51	51	NUM
admet-1879	364	6	(	(	PUNCT
admet-1879	364	7	2022	2022	NUM
admet-1879	364	8	)	)	PUNCT
admet-1879	364	9	14551481	14551481	NUM
admet-1879	364	10	.	.	PUNCT
admet-1879	365	1	https://doi.org/10.1007/s10953-022-01199-3	https://doi.org/10.1007/s10953-022-01199-3	NOUN
admet-1879	365	2	.	.	PUNCT
admet-1879	366	1	[	[	X
admet-1879	366	2	21	21	NUM
admet-1879	366	3	]	]	X
admet-1879	366	4	s.h	s.h	PROPN
admet-1879	366	5	.	.	NOUN
admet-1879	366	6	yalkowsky	yalkowsky	ADJ
admet-1879	366	7	,	,	PUNCT
admet-1879	366	8	s.c	s.c	PROPN
admet-1879	366	9	.	.	PROPN
admet-1879	366	10	valvani	valvani	PROPN
admet-1879	366	11	.	.	PUNCT
admet-1879	367	1	solubility	solubility	NOUN
admet-1879	367	2	and	and	CCONJ
admet-1879	367	3	partitioning	partition	VERB
admet-1879	367	4	i	i	PRON
admet-1879	367	5	:	:	PUNCT
admet-1879	367	6	solubility	solubility	NOUN
admet-1879	367	7	of	of	ADP
admet-1879	367	8	nonelectrolytes	nonelectrolyte	NOUN
admet-1879	367	9	in	in	ADP
admet-1879	367	10	water	water	NOUN
admet-1879	367	11	.	.	PUNCT
admet-1879	368	1	journal	journal	PROPN
admet-1879	368	2	of	of	ADP
admet-1879	368	3	pharmaceutical	pharmaceutical	PROPN
admet-1879	368	4	sciences	science	NOUN
admet-1879	368	5	69	69	NUM
admet-1879	368	6	(	(	PUNCT
admet-1879	368	7	1980	1980	NUM
admet-1879	368	8	)	)	PUNCT
admet-1879	368	9	912	912	NUM
admet-1879	368	10	-	-	SYM
admet-1879	368	11	922	922	NUM
admet-1879	368	12	.	.	PUNCT
admet-1879	369	1	https://doi.org/10.1002/jps.2600690814	https://doi.org/10.1002/jps.2600690814	PROPN
admet-1879	369	2	.	.	PUNCT
admet-1879	370	1	https://doi.org/10.1021/acs.jcim.0c00701	https://doi.org/10.1021/acs.jcim.0c00701	PRON
admet-1879	370	2	https://doi.org/10.3390/pharmaceutics14102248	https://doi.org/10.3390/pharmaceutics14102248	NOUN
admet-1879	370	3	https://doi.org/10.1021/mp500103r	https://doi.org/10.1021/mp500103r	VERB
admet-1879	370	4	https://www.barnesandnoble.com/w/predicting-solubility-of-new-drugs-alex-avdeef/1143832638	https://www.barnesandnoble.com/w/predicting-solubility-of-new-drugs-alex-avdeef/1143832638	PROPN
admet-1879	370	5	https://doi.org/10.5599/admet.3.2.193	https://doi.org/10.5599/admet.3.2.193	VERB
admet-1879	370	6	https://doi.org/10.5599/admet.4.2.292	https://doi.org/10.5599/admet.4.2.292	PRON
admet-1879	370	7	https://doi.org/10.1080/03639045.2019.1665062	https://doi.org/10.1080/03639045.2019.1665062	PRON
admet-1879	370	8	http://dx.doi.org/10.5599/admet.704	http://dx.doi.org/10.5599/admet.704	VERB
admet-1879	370	9	https://doi.org/10.1016/j.ejps.2021.106043	https://doi.org/10.1016/j.ejps.2021.106043	NOUN
admet-1879	370	10	https://doi.org/10.1016/j.jpba.2011.05.007	https://doi.org/10.1016/j.jpba.2011.05.007	VERB
admet-1879	370	11	https://doi.org/10.5599/admet.3.4.259	https://doi.org/10.5599/admet.3.4.259	NOUN
admet-1879	370	12	http://dx.doi.org/10.5599/admet.698	http://dx.doi.org/10.5599/admet.698	ADP
admet-1879	370	13	https://dx.doi.org/10.5599/admet.766	https://dx.doi.org/10.5599/admet.766	PROPN
admet-1879	370	14	https://dx.doi.org/10.5599/admet.794	https://dx.doi.org/10.5599/admet.794	PROPN
admet-1879	370	15	https://doi.org/10.1021/acs.molpharmaceut.0c00689	https://doi.org/10.1021/acs.molpharmaceut.0c00689	VERB
admet-1879	370	16	https://doi.org/10.1007/s10953-022-01141-7	https://doi.org/10.1007/s10953-022-01141-7	PROPN
admet-1879	370	17	https://doi.org/10.1007/s10953-022-01199-3	https://doi.org/10.1007/s10953-022-01199-3	NUM
admet-1879	370	18	https://doi.org/10.1002/jps.2600690814	https://doi.org/10.1002/jps.2600690814	PROPN
admet-1879	370	19	admet	admet	PROPN
admet-1879	370	20	&	&	CCONJ
admet-1879	370	21	dmpk	dmpk	PROPN
admet-1879	370	22	11(3	11(3	NUM
admet-1879	370	23	)	)	PUNCT
admet-1879	370	24	(	(	PUNCT
admet-1879	370	25	2023	2023	NUM
admet-1879	370	26	)	)	PUNCT
admet-1879	370	27	317	317	NUM
admet-1879	370	28	-	-	SYM
admet-1879	370	29	330	330	NUM
admet-1879	370	30	mechanistically	mechanistically	ADV
admet-1879	370	31	transparent	transparent	ADJ
admet-1879	370	32	models	model	NOUN
admet-1879	370	33	for	for	ADP
admet-1879	370	34	predicting	predict	VERB
admet-1879	370	35	aqueous	aqueous	ADJ
admet-1879	370	36	solubility	solubility	NOUN
admet-1879	370	37	doi	doi	NOUN
admet-1879	370	38	:	:	PUNCT
admet-1879	370	39	https://doi.org/10.5599/admet.1879	https://doi.org/10.5599/admet.1879	NOUN
admet-1879	370	40	329	329	NUM
admet-1879	370	41	[	[	X
admet-1879	370	42	22	22	NUM
admet-1879	370	43	]	]	X
admet-1879	370	44	s.h	s.h	PROPN
admet-1879	370	45	.	.	NOUN
admet-1879	370	46	yalkowsky	yalkowsky	PROPN
admet-1879	370	47	,	,	PUNCT
admet-1879	370	48	s.	s.	PROPN
admet-1879	370	49	banerjee	banerjee	PROPN
admet-1879	370	50	.	.	PUNCT
admet-1879	371	1	aqueous	aqueous	ADJ
admet-1879	371	2	solubility	solubility	NOUN
admet-1879	371	3	:	:	PUNCT
admet-1879	371	4	methods	method	NOUN
admet-1879	371	5	of	of	ADP
admet-1879	371	6	estimation	estimation	NOUN
admet-1879	371	7	for	for	ADP
admet-1879	371	8	organic	organic	ADJ
admet-1879	371	9	compounds	compound	NOUN
admet-1879	371	10	.	.	PUNCT
admet-1879	372	1	marcel	marcel	PROPN
admet-1879	372	2	dekker	dekker	PROPN
admet-1879	372	3	,	,	PUNCT
admet-1879	372	4	inc	inc	PROPN
admet-1879	372	5	.	.	PROPN
admet-1879	372	6	:	:	PUNCT
admet-1879	373	1	new	new	PROPN
admet-1879	373	2	york	york	PROPN
admet-1879	373	3	.	.	PUNCT
admet-1879	374	1	(	(	PUNCT
admet-1879	374	2	1992	1992	NUM
admet-1879	374	3	)	)	PUNCT
admet-1879	375	1	p.	p.	NOUN
admet-1879	375	2	142	142	NUM
admet-1879	375	3	.	.	PUNCT
admet-1879	376	1	https://api.semanticscholar.org/corpusid:92804093	https://api.semanticscholar.org/corpusid:92804093	PROPN
admet-1879	376	2	.	.	PUNCT
admet-1879	377	1	[	[	X
admet-1879	377	2	23	23	NUM
admet-1879	377	3	]	]	X
admet-1879	377	4	y.	y.	PROPN
admet-1879	377	5	ran	run	VERB
admet-1879	377	6	,	,	PUNCT
admet-1879	377	7	n	n	CCONJ
admet-1879	377	8	,	,	PUNCT
admet-1879	377	9	jain	jain	PROPN
admet-1879	377	10	,	,	PUNCT
admet-1879	377	11	s.h	s.h	PROPN
admet-1879	377	12	.	.	NOUN
admet-1879	377	13	yalkowsky	yalkowsky	ADJ
admet-1879	377	14	.	.	PUNCT
admet-1879	378	1	prediction	prediction	NOUN
admet-1879	378	2	of	of	ADP
admet-1879	378	3	aqueous	aqueous	ADJ
admet-1879	378	4	solubility	solubility	NOUN
admet-1879	378	5	of	of	ADP
admet-1879	378	6	organic	organic	ADJ
admet-1879	378	7	compounds	compound	NOUN
admet-1879	378	8	by	by	ADP
admet-1879	378	9	the	the	DET
admet-1879	378	10	general	general	ADJ
admet-1879	378	11	solubility	solubility	NOUN
admet-1879	378	12	equation	equation	NOUN
admet-1879	378	13	(	(	PUNCT
admet-1879	378	14	gse	gse	PROPN
admet-1879	378	15	)	)	PUNCT
admet-1879	378	16	.	.	PUNCT
admet-1879	379	1	j.	j.	PROPN
admet-1879	379	2	chem	chem	PROPN
admet-1879	379	3	.	.	PUNCT
admet-1879	380	1	inf	inf	PROPN
admet-1879	380	2	.	.	PUNCT
admet-1879	380	3	comput	comput	PROPN
admet-1879	380	4	.	.	PUNCT
admet-1879	381	1	sci	sci	PROPN
admet-1879	381	2	.	.	PROPN
admet-1879	382	1	41	41	NUM
admet-1879	382	2	(	(	PUNCT
admet-1879	382	3	2001	2001	NUM
admet-1879	382	4	)	)	PUNCT
admet-1879	382	5	1208	1208	NUM
admet-1879	382	6	-	-	SYM
admet-1879	382	7	1217	1217	NUM
admet-1879	382	8	.	.	PUNCT
admet-1879	383	1	https://doi.org/10.1021/ci010287z	https://doi.org/10.1021/ci010287z	PROPN
admet-1879	383	2	.	.	PUNCT
admet-1879	384	1	[	[	X
admet-1879	384	2	24	24	NUM
admet-1879	384	3	]	]	X
admet-1879	384	4	n.	n.	PROPN
admet-1879	384	5	jain	jain	PROPN
admet-1879	384	6	,	,	PUNCT
admet-1879	384	7	g.	g.	PROPN
admet-1879	384	8	yang	yang	PROPN
admet-1879	384	9	,	,	PUNCT
admet-1879	384	10	s.g	s.g	PROPN
admet-1879	384	11	.	.	PROPN
admet-1879	384	12	machatha	machatha	PROPN
admet-1879	384	13	,	,	PUNCT
admet-1879	384	14	s.h	s.h	PROPN
admet-1879	384	15	.	.	NOUN
admet-1879	384	16	yalkowsky	yalkowsky	ADJ
admet-1879	384	17	.	.	PUNCT
admet-1879	385	1	estimation	estimation	NOUN
admet-1879	385	2	of	of	ADP
admet-1879	385	3	the	the	DET
admet-1879	385	4	aqueous	aqueous	ADJ
admet-1879	385	5	solubility	solubility	NOUN
admet-1879	385	6	of	of	ADP
admet-1879	385	7	weak	weak	ADJ
admet-1879	385	8	electrolytes	electrolyte	NOUN
admet-1879	385	9	.	.	PUNCT
admet-1879	386	1	international	international	ADJ
admet-1879	386	2	journal	journal	PROPN
admet-1879	386	3	of	of	ADP
admet-1879	386	4	pharmaceutics	pharmaceutic	NOUN
admet-1879	386	5	319	319	NUM
admet-1879	386	6	(	(	PUNCT
admet-1879	386	7	2006	2006	NUM
admet-1879	386	8	)	)	PUNCT
admet-1879	386	9	169	169	NUM
admet-1879	386	10	-	-	SYM
admet-1879	386	11	171	171	NUM
admet-1879	386	12	.	.	PUNCT
admet-1879	387	1	https://doi.org/10.1016/j.ijpharm.2006.04.022	https://doi.org/10.1016/j.ijpharm.2006.04.022	PROPN
admet-1879	387	2	.	.	PUNCT
admet-1879	388	1	[	[	X
admet-1879	388	2	25	25	NUM
admet-1879	388	3	]	]	X
admet-1879	388	4	s.h	s.h	PROPN
admet-1879	388	5	.	.	NOUN
admet-1879	388	6	yalkowsky	yalkowsky	ADJ
admet-1879	388	7	,	,	PUNCT
admet-1879	388	8	y.	y.	PROPN
admet-1879	388	9	he	he	PRON
admet-1879	388	10	,	,	PUNCT
admet-1879	388	11	p.	p.	PROPN
admet-1879	388	12	jain	jain	PROPN
admet-1879	388	13	.	.	PUNCT
admet-1879	389	1	handbook	handbook	NOUN
admet-1879	389	2	of	of	ADP
admet-1879	389	3	aqueous	aqueous	ADJ
admet-1879	389	4	solubility	solubility	NOUN
admet-1879	389	5	data	datum	NOUN
admet-1879	389	6	,	,	PUNCT
admet-1879	389	7	second	second	ADJ
admet-1879	389	8	edition	edition	NOUN
admet-1879	389	9	.	.	PUNCT
admet-1879	390	1	crc	crc	PROPN
admet-1879	390	2	press	press	PROPN
admet-1879	390	3	:	:	PUNCT
admet-1879	390	4	boca	boca	PROPN
admet-1879	390	5	raton	raton	PROPN
admet-1879	390	6	,	,	PUNCT
admet-1879	390	7	fl	fl	PROPN
admet-1879	390	8	,	,	PUNCT
admet-1879	390	9	(	(	PUNCT
admet-1879	390	10	2010	2010	NUM
admet-1879	390	11	)	)	PUNCT
admet-1879	390	12	.	.	PUNCT
admet-1879	391	1	https://doi.org/10.1201/ebk1439802458	https://doi.org/10.1201/ebk1439802458	NOUN
admet-1879	391	2	.	.	PUNCT
admet-1879	392	1	[	[	X
admet-1879	392	2	26	26	NUM
admet-1879	392	3	]	]	X
admet-1879	392	4	d.	d.	PROPN
admet-1879	392	5	alantari	alantari	PROPN
admet-1879	392	6	,	,	PUNCT
admet-1879	392	7	s.	s.	PROPN
admet-1879	392	8	yalkowsky	yalkowsky	PROPN
admet-1879	392	9	.	.	PUNCT
admet-1879	393	1	comments	comment	NOUN
admet-1879	393	2	on	on	ADP
admet-1879	393	3	prediction	prediction	NOUN
admet-1879	393	4	of	of	ADP
admet-1879	393	5	the	the	DET
admet-1879	393	6	aqueous	aqueous	ADJ
admet-1879	393	7	solubility	solubility	NOUN
admet-1879	393	8	using	use	VERB
admet-1879	393	9	the	the	DET
admet-1879	393	10	general	general	ADJ
admet-1879	393	11	solubility	solubility	NOUN
admet-1879	393	12	equation	equation	NOUN
admet-1879	393	13	(	(	PUNCT
admet-1879	393	14	gse	gse	PROPN
admet-1879	393	15	)	)	PUNCT
admet-1879	393	16	versus	versus	ADP
admet-1879	393	17	a	a	DET
admet-1879	393	18	genetic	genetic	ADJ
admet-1879	393	19	algorithm	algorithm	NOUN
admet-1879	393	20	and	and	CCONJ
admet-1879	393	21	a	a	DET
admet-1879	393	22	support	support	NOUN
admet-1879	393	23	vector	vector	NOUN
admet-1879	393	24	machine	machine	NOUN
admet-1879	393	25	model	model	NOUN
admet-1879	393	26	.	.	PUNCT
admet-1879	394	1	pharmaceutical	pharmaceutical	NOUN
admet-1879	394	2	development	development	NOUN
admet-1879	394	3	and	and	CCONJ
admet-1879	394	4	technology	technology	NOUN
admet-1879	394	5	23	23	NUM
admet-1879	394	6	(	(	PUNCT
admet-1879	394	7	2018	2018	NUM
admet-1879	394	8	)	)	PUNCT
admet-1879	394	9	739	739	NUM
admet-1879	394	10	-	-	SYM
admet-1879	394	11	740	740	NUM
admet-1879	394	12	.	.	PUNCT
admet-1879	395	1	https://doi.org/10.1080/10837450.2017.1321663	https://doi.org/10.1080/10837450.2017.1321663	PROPN
admet-1879	395	2	.	.	PUNCT
admet-1879	396	1	[	[	X
admet-1879	396	2	27	27	NUM
admet-1879	396	3	]	]	X
admet-1879	396	4	m.h	m.h	PROPN
admet-1879	396	5	.	.	PROPN
admet-1879	396	6	abraham	abraham	PROPN
admet-1879	396	7	.	.	PUNCT
admet-1879	397	1	scales	scale	NOUN
admet-1879	397	2	of	of	ADP
admet-1879	397	3	hydrogen	hydrogen	NOUN
admet-1879	397	4	bonding	bond	VERB
admet-1879	397	5	their	their	PRON
admet-1879	397	6	construction	construction	NOUN
admet-1879	397	7	and	and	CCONJ
admet-1879	397	8	application	application	NOUN
admet-1879	397	9	to	to	ADP
admet-1879	397	10	physicochemical	physicochemical	ADJ
admet-1879	397	11	and	and	CCONJ
admet-1879	397	12	biochemical	biochemical	ADJ
admet-1879	397	13	processes	process	NOUN
admet-1879	397	14	.	.	PUNCT
admet-1879	398	1	chemical	chemical	NOUN
admet-1879	398	2	society	society	PROPN
admet-1879	398	3	reviews	review	VERB
admet-1879	398	4	22	22	NUM
admet-1879	398	5	(	(	PUNCT
admet-1879	398	6	1993	1993	NUM
admet-1879	398	7	)	)	PUNCT
admet-1879	398	8	73	73	NUM
admet-1879	398	9	-	-	SYM
admet-1879	398	10	83	83	NUM
admet-1879	398	11	.	.	PUNCT
admet-1879	399	1	https://doi.org/10.1039/cs9932200073	https://doi.org/10.1039/cs9932200073	X
admet-1879	399	2	.	.	PUNCT
admet-1879	400	1	[	[	X
admet-1879	400	2	28	28	NUM
admet-1879	400	3	]	]	X
admet-1879	400	4	m.h	m.h	PROPN
admet-1879	400	5	.	.	PROPN
admet-1879	400	6	abraham	abraham	PROPN
admet-1879	400	7	,	,	PUNCT
admet-1879	400	8	j.	j.	PROPN
admet-1879	400	9	le	le	PROPN
admet-1879	400	10	.	.	PUNCT
admet-1879	401	1	the	the	DET
admet-1879	401	2	correlation	correlation	NOUN
admet-1879	401	3	and	and	CCONJ
admet-1879	401	4	prediction	prediction	NOUN
admet-1879	401	5	of	of	ADP
admet-1879	401	6	the	the	DET
admet-1879	401	7	solubility	solubility	NOUN
admet-1879	401	8	of	of	ADP
admet-1879	401	9	compounds	compound	NOUN
admet-1879	401	10	in	in	ADP
admet-1879	401	11	water	water	NOUN
admet-1879	401	12	using	use	VERB
admet-1879	401	13	an	an	DET
admet-1879	401	14	amended	amend	VERB
admet-1879	401	15	solvation	solvation	NOUN
admet-1879	401	16	energy	energy	NOUN
admet-1879	401	17	relationship	relationship	NOUN
admet-1879	401	18	.	.	PUNCT
admet-1879	402	1	journal	journal	PROPN
admet-1879	402	2	of	of	ADP
admet-1879	402	3	pharmaceutical	pharmaceutical	NOUN
admet-1879	402	4	sciences	science	NOUN
admet-1879	402	5	88	88	NUM
admet-1879	402	6	(	(	PUNCT
admet-1879	402	7	1999	1999	NUM
admet-1879	402	8	)	)	PUNCT
admet-1879	402	9	868	868	NUM
admet-1879	402	10	-	-	SYM
admet-1879	402	11	880	880	NUM
admet-1879	402	12	.	.	PUNCT
admet-1879	403	1	https://doi.org/10.1021/js9901007	https://doi.org/10.1021/js9901007	VERB
admet-1879	403	2	.	.	PUNCT
admet-1879	404	1	[	[	X
admet-1879	404	2	29	29	NUM
admet-1879	404	3	]	]	X
admet-1879	404	4	j.a	j.a	PROPN
admet-1879	404	5	.	.	PROPN
admet-1879	404	6	platts	platts	PROPN
admet-1879	404	7	,	,	PUNCT
admet-1879	404	8	d.	d.	PROPN
admet-1879	404	9	butina	butina	PROPN
admet-1879	404	10	,	,	PUNCT
admet-1879	404	11	m.h	m.h	PROPN
admet-1879	404	12	.	.	PROPN
admet-1879	404	13	abraham	abraham	PROPN
admet-1879	404	14	,	,	PUNCT
admet-1879	404	15	a.	a.	PROPN
admet-1879	404	16	hersey	hersey	PROPN
admet-1879	404	17	.	.	PUNCT
admet-1879	405	1	estimation	estimation	NOUN
admet-1879	405	2	of	of	ADP
admet-1879	405	3	molecular	molecular	ADJ
admet-1879	405	4	linear	linear	ADJ
admet-1879	405	5	free	free	ADJ
admet-1879	405	6	energy	energy	NOUN
admet-1879	405	7	relation	relation	NOUN
admet-1879	405	8	descriptors	descriptor	NOUN
admet-1879	405	9	using	use	VERB
admet-1879	405	10	a	a	DET
admet-1879	405	11	group	group	NOUN
admet-1879	405	12	contribution	contribution	NOUN
admet-1879	405	13	approach	approach	NOUN
admet-1879	405	14	.	.	PUNCT
admet-1879	406	1	journal	journal	PROPN
admet-1879	406	2	of	of	ADP
admet-1879	406	3	chemical	chemical	ADJ
admet-1879	406	4	information	information	NOUN
admet-1879	406	5	and	and	CCONJ
admet-1879	406	6	computer	computer	NOUN
admet-1879	406	7	sciences	science	NOUN
admet-1879	406	8	39	39	NUM
admet-1879	406	9	(	(	PUNCT
admet-1879	406	10	1999	1999	NUM
admet-1879	406	11	)	)	PUNCT
admet-1879	406	12	835	835	NUM
admet-1879	406	13	-	-	SYM
admet-1879	406	14	845	845	NUM
admet-1879	406	15	.	.	PUNCT
admet-1879	407	1	https://doi.org/10.1021/ci980339	https://doi.org/10.1021/ci980339	PROPN
admet-1879	408	1	t.	t.	PROPN
admet-1879	408	2	[	[	X
admet-1879	408	3	30	30	NUM
admet-1879	408	4	]	]	X
admet-1879	408	5	l.	l.	PROPN
admet-1879	408	6	breiman	breiman	PROPN
admet-1879	408	7	.	.	PUNCT
admet-1879	409	1	random	random	ADJ
admet-1879	409	2	forests	forest	NOUN
admet-1879	409	3	.	.	PUNCT
admet-1879	410	1	machine	machine	NOUN
admet-1879	410	2	learning	learn	VERB
admet-1879	410	3	45	45	NUM
admet-1879	410	4	(	(	PUNCT
admet-1879	410	5	2001	2001	NUM
admet-1879	410	6	)	)	PUNCT
admet-1879	410	7	5	5	NUM
admet-1879	410	8	-	-	SYM
admet-1879	410	9	32	32	NUM
admet-1879	410	10	.	.	PUNCT
admet-1879	411	1	https://doi.org/10.1023/a:1010933404324	https://doi.org/10.1023/a:1010933404324	ADJ
admet-1879	411	2	.	.	PUNCT
admet-1879	412	1	[	[	X
admet-1879	412	2	31	31	NUM
admet-1879	412	3	]	]	X
admet-1879	412	4	d.s	d.s	PROPN
admet-1879	412	5	.	.	PROPN
admet-1879	412	6	palmer	palmer	PROPN
admet-1879	412	7	,	,	PUNCT
admet-1879	412	8	n.m	n.m	PROPN
admet-1879	412	9	.	.	PROPN
admet-1879	412	10	o’boyle	o’boyle	PROPN
admet-1879	412	11	,	,	PUNCT
admet-1879	412	12	r.c	r.c	PROPN
admet-1879	412	13	.	.	PROPN
admet-1879	412	14	glen	glen	PROPN
admet-1879	412	15	,	,	PUNCT
admet-1879	412	16	j.b.o	j.b.o	PROPN
admet-1879	412	17	.	.	PROPN
admet-1879	412	18	mitchell	mitchell	PROPN
admet-1879	412	19	.	.	PUNCT
admet-1879	413	1	random	random	ADJ
admet-1879	413	2	forest	forest	NOUN
admet-1879	413	3	models	model	NOUN
admet-1879	413	4	to	to	PART
admet-1879	413	5	predict	predict	VERB
admet-1879	413	6	aqueous	aqueous	ADJ
admet-1879	413	7	solubility	solubility	NOUN
admet-1879	413	8	.	.	PUNCT
admet-1879	414	1	journal	journal	PROPN
admet-1879	414	2	of	of	ADP
admet-1879	414	3	chemical	chemical	ADJ
admet-1879	414	4	information	information	NOUN
admet-1879	414	5	and	and	CCONJ
admet-1879	414	6	modeling	model	VERB
admet-1879	414	7	47	47	NUM
admet-1879	414	8	(	(	PUNCT
admet-1879	414	9	2007	2007	NUM
admet-1879	414	10	)	)	PUNCT
admet-1879	414	11	150	150	NUM
admet-1879	414	12	-	-	SYM
admet-1879	414	13	158	158	NUM
admet-1879	414	14	.	.	PUNCT
admet-1879	415	1	https://doi.org/10.1021/ci060164k	https://doi.org/10.1021/ci060164k	NOUN
admet-1879	415	2	.	.	PUNCT
admet-1879	416	1	[	[	X
admet-1879	416	2	32	32	NUM
admet-1879	416	3	]	]	SYM
admet-1879	416	4	w.p	w.p	PROPN
admet-1879	416	5	.	.	PROPN
admet-1879	416	6	walters	walters	PROPN
admet-1879	416	7	.	.	PUNCT
admet-1879	417	1	what	what	PRON
admet-1879	417	2	are	be	AUX
admet-1879	417	3	our	our	PRON
admet-1879	417	4	models	model	NOUN
admet-1879	417	5	really	really	ADV
admet-1879	417	6	telling	tell	VERB
admet-1879	417	7	us	we	PRON
admet-1879	417	8	?	?	PUNCT
admet-1879	418	1	a	a	DET
admet-1879	418	2	practical	practical	ADJ
admet-1879	418	3	tutorial	tutorial	NOUN
admet-1879	418	4	on	on	ADP
admet-1879	418	5	avoiding	avoid	VERB
admet-1879	418	6	common	common	ADJ
admet-1879	418	7	mistakes	mistake	NOUN
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admet-1879	421	2	-	-	SYM
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admet-1879	421	4	.	.	PUNCT
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admet-1879	423	6	.	.	PUNCT
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admet-1879	424	4	,	,	PUNCT
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admet-1879	424	6	,	,	PUNCT
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admet-1879	427	7	.	.	PUNCT
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admet-1879	431	2	(	(	PUNCT
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admet-1879	431	4	)	)	PUNCT
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admet-1879	431	6	-	-	SYM
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admet-1879	433	6	.	.	PUNCT
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admet-1879	435	5	(	(	PUNCT
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admet-1879	439	6	(	(	PUNCT
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admet-1879	439	10	-	-	SYM
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admet-1879	441	16	.	.	PUNCT
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admet-1879	443	9	-	-	SYM
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admet-1879	444	2	.	.	PUNCT
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admet-1879	459	7	)	)	PUNCT
admet-1879	459	8	1707	1707	NUM
admet-1879	459	9	-	-	SYM
admet-1879	459	10	1729	1729	NUM
admet-1879	459	11	.	.	PUNCT
admet-1879	460	1	https://doi.org/10.1002/med.21562	https://doi.org/10.1002/med.21562	PROPN
admet-1879	460	2	.	.	PUNCT
admet-1879	461	1	[	[	X
admet-1879	461	2	41	41	NUM
admet-1879	461	3	]	]	X
admet-1879	461	4	g.	g.	NOUN
admet-1879	461	5	ermondi	ermondi	PROPN
admet-1879	461	6	,	,	PUNCT
admet-1879	461	7	m.	m.	NOUN
admet-1879	461	8	vallaro	vallaro	NOUN
admet-1879	461	9	,	,	PUNCT
admet-1879	461	10	g.	g.	PROPN
admet-1879	461	11	goetz	goetz	PROPN
admet-1879	461	12	,	,	PUNCT
admet-1879	461	13	m.	m.	NOUN
admet-1879	461	14	shalaeva	shalaeva	PROPN
admet-1879	461	15	,	,	PUNCT
admet-1879	461	16	g.	g.	PROPN
admet-1879	461	17	caron	caron	PROPN
admet-1879	461	18	.	.	PUNCT
admet-1879	462	1	updating	update	VERB
admet-1879	462	2	the	the	DET
admet-1879	462	3	portfolio	portfolio	NOUN
admet-1879	462	4	of	of	ADP
admet-1879	462	5	physicochemical	physicochemical	ADJ
admet-1879	462	6	descriptors	descriptor	NOUN
admet-1879	462	7	related	relate	VERB
admet-1879	462	8	to	to	ADP
admet-1879	462	9	permeability	permeability	NOUN
admet-1879	462	10	in	in	ADP
admet-1879	462	11	the	the	PRON
admet-1879	462	12	beyond	beyond	ADP
admet-1879	462	13	the	the	DET
admet-1879	462	14	rule	rule	NOUN
admet-1879	462	15	of	of	ADP
admet-1879	462	16	5	5	NUM
admet-1879	462	17	chemical	chemical	NOUN
admet-1879	462	18	space	space	NOUN
admet-1879	462	19	.	.	PUNCT
admet-1879	463	1	european	european	ADJ
admet-1879	463	2	journal	journal	PROPN
admet-1879	463	3	of	of	ADP
admet-1879	463	4	pharmaceutical	pharmaceutical	PROPN
admet-1879	463	5	sciences	science	NOUN
admet-1879	463	6	146	146	NUM
admet-1879	463	7	(	(	PUNCT
admet-1879	463	8	2020	2020	NUM
admet-1879	463	9	)	)	PUNCT
admet-1879	463	10	105274	105274	NUM
admet-1879	463	11	.	.	PUNCT
admet-1879	464	1	https://doi.org/10.1016/j.ejps.2020.105274	https://doi.org/10.1016/j.ejps.2020.105274	NOUN
admet-1879	464	2	.	.	PUNCT
admet-1879	465	1	[	[	X
admet-1879	465	2	42	42	NUM
admet-1879	465	3	]	]	X
admet-1879	465	4	g.	g.	PROPN
admet-1879	465	5	caron	caron	PROPN
admet-1879	465	6	,	,	PUNCT
admet-1879	465	7	v.	v.	ADP
admet-1879	465	8	digiesi	digiesi	PROPN
admet-1879	465	9	,	,	PUNCT
admet-1879	465	10	s.	s.	PROPN
admet-1879	465	11	solaro	solaro	NOUN
admet-1879	465	12	,	,	PUNCT
admet-1879	465	13	g.	g.	PROPN
admet-1879	465	14	ermondi	ermondi	PROPN
admet-1879	465	15	.	.	PUNCT
admet-1879	466	1	flexibility	flexibility	NOUN
admet-1879	466	2	in	in	ADP
admet-1879	466	3	early	early	ADJ
admet-1879	466	4	drug	drug	NOUN
admet-1879	466	5	discovery	discovery	NOUN
admet-1879	466	6	:	:	PUNCT
admet-1879	466	7	focus	focus	VERB
admet-1879	466	8	on	on	ADP
admet-1879	466	9	the	the	DET
admet-1879	466	10	beyondrule	beyondrule	NOUN
admet-1879	466	11	-	-	PUNCT
admet-1879	466	12	of-5	of-5	NOUN
admet-1879	466	13	chemical	chemical	NOUN
admet-1879	466	14	space	space	NOUN
admet-1879	466	15	.	.	PUNCT
admet-1879	467	1	drug	drug	NOUN
admet-1879	467	2	discovery	discovery	PROPN
admet-1879	467	3	today	today	NOUN
admet-1879	467	4	25	25	NUM
admet-1879	467	5	(	(	PUNCT
admet-1879	467	6	2020	2020	NUM
admet-1879	467	7	)	)	PUNCT
admet-1879	467	8	621	621	NUM
admet-1879	467	9	-	-	SYM
admet-1879	467	10	627	627	NUM
admet-1879	467	11	.	.	PUNCT
admet-1879	468	1	https://doi.org/10.1016/j.drudis.2020.01.012	https://doi.org/10.1016/j.drudis.2020.01.012	PROPN
admet-1879	468	2	.	.	PUNCT
admet-1879	469	1	[	[	X
admet-1879	469	2	43	43	NUM
admet-1879	469	3	]	]	X
admet-1879	469	4	g.	g.	PROPN
admet-1879	469	5	ermondi	ermondi	PROPN
admet-1879	469	6	,	,	PUNCT
admet-1879	469	7	v.	v.	ADP
admet-1879	469	8	poongavanam	poongavanam	PROPN
admet-1879	469	9	,	,	PUNCT
admet-1879	469	10	m.	m.	NOUN
admet-1879	469	11	vallaro	vallaro	NOUN
admet-1879	469	12	,	,	PUNCT
admet-1879	469	13	j.	j.	PROPN
admet-1879	469	14	kihlberg	kihlberg	PROPN
admet-1879	469	15	,	,	PUNCT
admet-1879	469	16	g.	g.	PROPN
admet-1879	469	17	caron	caron	PROPN
admet-1879	469	18	,	,	PUNCT
admet-1879	469	19	g.	g.	PROPN
admet-1879	469	20	solubility	solubility	NOUN
admet-1879	469	21	prediction	prediction	NOUN
admet-1879	469	22	in	in	ADP
admet-1879	469	23	the	the	DET
admet-1879	469	24	bro5	bro5	NOUN
admet-1879	469	25	chemical	chemical	NOUN
admet-1879	469	26	space	space	NOUN
admet-1879	469	27	:	:	PUNCT
admet-1879	469	28	where	where	SCONJ
admet-1879	469	29	are	be	AUX
admet-1879	469	30	we	we	PRON
admet-1879	469	31	right	right	ADV
admet-1879	469	32	now	now	ADV
admet-1879	469	33	?	?	PUNCT
admet-1879	470	1	admet	admet	PROPN
admet-1879	470	2	&	&	CCONJ
admet-1879	470	3	dmpk	dmpk	PROPN
admet-1879	470	4	8	8	NUM
admet-1879	470	5	(	(	PUNCT
admet-1879	470	6	2020	2020	NUM
admet-1879	470	7	)	)	PUNCT
admet-1879	470	8	207	207	NUM
admet-1879	470	9	-	-	SYM
admet-1879	470	10	214	214	NUM
admet-1879	470	11	.	.	PUNCT
admet-1879	471	1	https://doi.org/10.5599/admet.834	https://doi.org/10.5599/admet.834	PROPN
admet-1879	471	2	.	.	PUNCT
admet-1879	472	1	[	[	X
admet-1879	472	2	44	44	NUM
admet-1879	472	3	]	]	X
admet-1879	472	4	d.g	d.g	PROPN
admet-1879	472	5	.	.	PROPN
admet-1879	472	6	jiménez	jiménez	PROPN
admet-1879	472	7	,	,	PUNCT
admet-1879	472	8	m.r	m.r	PROPN
admet-1879	472	9	.	.	PROPN
admet-1879	472	10	sebastiano	sebastiano	PROPN
admet-1879	472	11	,	,	PUNCT
admet-1879	472	12	m.	m.	NOUN
admet-1879	472	13	vallaro	vallaro	NOUN
admet-1879	472	14	,	,	PUNCT
admet-1879	472	15	v.	v.	CCONJ
admet-1879	472	16	mileo	mileo	PROPN
admet-1879	472	17	,	,	PUNCT
admet-1879	472	18	d.	d.	PROPN
admet-1879	472	19	pizzirani	pizzirani	PROPN
admet-1879	472	20	,	,	PUNCT
admet-1879	472	21	e.	e.	PROPN
admet-1879	472	22	moretti	moretti	PROPN
admet-1879	472	23	,	,	PUNCT
admet-1879	472	24	g.	g.	PROPN
admet-1879	472	25	ermondi	ermondi	PROPN
admet-1879	472	26	,	,	PUNCT
admet-1879	472	27	g.	g.	PROPN
admet-1879	472	28	caron	caron	PROPN
admet-1879	472	29	.	.	PUNCT
admet-1879	473	1	designing	design	VERB
admet-1879	473	2	soluble	soluble	ADJ
admet-1879	473	3	protacs	protac	NOUN
admet-1879	473	4	:	:	PUNCT
admet-1879	473	5	strategies	strategy	NOUN
admet-1879	473	6	and	and	CCONJ
admet-1879	473	7	preliminary	preliminary	ADJ
admet-1879	473	8	guidelines	guideline	NOUN
admet-1879	473	9	.	.	PUNCT
admet-1879	474	1	journal	journal	NOUN
admet-1879	474	2	of	of	ADP
admet-1879	474	3	medicinal	medicinal	ADJ
admet-1879	474	4	chemistry	chemistry	NOUN
admet-1879	474	5	65	65	NUM
admet-1879	474	6	(	(	PUNCT
admet-1879	474	7	2022	2022	NUM
admet-1879	474	8	)	)	PUNCT
admet-1879	474	9	12639	12639	NUM
admet-1879	474	10	-	-	SYM
admet-1879	474	11	12649	12649	NUM
admet-1879	474	12	.	.	PUNCT
admet-1879	475	1	https://doi.org/10.1021/acs.jmedchem.2c00201	https://doi.org/10.1021/acs.jmedchem.2c00201	NOUN
admet-1879	475	2	.	.	PUNCT
admet-1879	476	1	[	[	X
admet-1879	476	2	45	45	NUM
admet-1879	476	3	]	]	PUNCT
admet-1879	476	4	a.	a.	NOUN
admet-1879	476	5	mullard	mullard	PROPN
admet-1879	476	6	.	.	PUNCT
admet-1879	477	1	2021	2021	NUM
admet-1879	477	2	fda	fda	PROPN
admet-1879	477	3	drug	drug	NOUN
admet-1879	477	4	approvals	approval	NOUN
admet-1879	477	5	.	.	PUNCT
admet-1879	478	1	the	the	DET
admet-1879	478	2	fda	fda	PROPN
admet-1879	478	3	approved	approve	VERB
admet-1879	478	4	50	50	NUM
admet-1879	478	5	novel	novel	ADJ
admet-1879	478	6	drugs	drug	NOUN
admet-1879	478	7	in	in	ADP
admet-1879	478	8	2021	2021	NUM
admet-1879	478	9	,	,	PUNCT
admet-1879	478	10	including	include	VERB
admet-1879	478	11	the	the	DET
admet-1879	478	12	first	first	ADJ
admet-1879	478	13	kras	kras	PROPN
admet-1879	478	14	inhibitor	inhibitor	NOUN
admet-1879	478	15	for	for	ADP
admet-1879	478	16	cancer	cancer	NOUN
admet-1879	478	17	and	and	CCONJ
admet-1879	478	18	the	the	DET
admet-1879	478	19	first	first	ADJ
admet-1879	478	20	anti	anti	ADJ
admet-1879	478	21	-	-	ADJ
admet-1879	478	22	amyloid	amyloid	ADJ
admet-1879	478	23	antibody	antibody	NOUN
admet-1879	478	24	for	for	ADP
admet-1879	478	25	alzheimer	alzheimer	PROPN
admet-1879	478	26	’s	’s	PART
admet-1879	478	27	disease	disease	NOUN
admet-1879	478	28	.	.	PUNCT
admet-1879	479	1	nature	nature	NOUN
admet-1879	479	2	reviews	review	VERB
admet-1879	479	3	drug	drug	NOUN
admet-1879	479	4	discovery	discovery	NOUN
admet-1879	479	5	21	21	NUM
admet-1879	479	6	(	(	PUNCT
admet-1879	479	7	2022	2022	NUM
admet-1879	479	8	)	)	PUNCT
admet-1879	479	9	83	83	NUM
admet-1879	479	10	-	-	SYM
admet-1879	479	11	88	88	NUM
admet-1879	479	12	.	.	PUNCT
admet-1879	479	13	https://doi.org/10.1038/d41573-022-00001-9	https://doi.org/10.1038/d41573-022-00001-9	NOUN
admet-1879	479	14	.	.	PUNCT
admet-1879	480	1	[	[	X
admet-1879	480	2	46	46	NUM
admet-1879	480	3	]	]	X
admet-1879	480	4	l.d	l.d	PROPN
admet-1879	480	5	.	.	PROPN
admet-1879	480	6	hughes	hughes	PROPN
admet-1879	480	7	,	,	PUNCT
admet-1879	480	8	d.s	d.s	PROPN
admet-1879	480	9	.	.	PROPN
admet-1879	480	10	palmer	palmer	PROPN
admet-1879	480	11	,	,	PUNCT
admet-1879	480	12	f.	f.	PROPN
admet-1879	480	13	nigsch	nigsch	PROPN
admet-1879	480	14	,	,	PUNCT
admet-1879	480	15	j.b.o	j.b.o	PROPN
admet-1879	480	16	.	.	PUNCT
admet-1879	480	17	mitchell	mitchell	PROPN
admet-1879	480	18	.	.	PUNCT
admet-1879	481	1	why	why	SCONJ
admet-1879	481	2	are	be	AUX
admet-1879	481	3	some	some	DET
admet-1879	481	4	properties	property	NOUN
admet-1879	481	5	more	more	ADV
admet-1879	481	6	difficult	difficult	ADJ
admet-1879	481	7	to	to	PART
admet-1879	481	8	predict	predict	VERB
admet-1879	481	9	than	than	ADP
admet-1879	481	10	others	other	NOUN
admet-1879	481	11	?	?	PUNCT
admet-1879	482	1	a	a	DET
admet-1879	482	2	study	study	NOUN
admet-1879	482	3	of	of	ADP
admet-1879	482	4	qspr	qspr	NOUN
admet-1879	482	5	models	model	NOUN
admet-1879	482	6	of	of	ADP
admet-1879	482	7	solubility	solubility	NOUN
admet-1879	482	8	,	,	PUNCT
admet-1879	482	9	melting	melting	NOUN
admet-1879	482	10	point	point	NOUN
admet-1879	482	11	,	,	PUNCT
admet-1879	482	12	and	and	CCONJ
admet-1879	482	13	log	log	VERB
admet-1879	482	14	p.	p.	PROPN
admet-1879	482	15	journal	journal	PROPN
admet-1879	482	16	of	of	ADP
admet-1879	482	17	chemical	chemical	ADJ
admet-1879	482	18	information	information	NOUN
admet-1879	482	19	and	and	CCONJ
admet-1879	482	20	modeling	model	VERB
admet-1879	482	21	48	48	NUM
admet-1879	482	22	(	(	PUNCT
admet-1879	482	23	2008	2008	NUM
admet-1879	482	24	)	)	PUNCT
admet-1879	482	25	220	220	NUM
admet-1879	482	26	-	-	SYM
admet-1879	482	27	232	232	NUM
admet-1879	482	28	.	.	PUNCT
admet-1879	483	1	https://doi.org/10.1021/ci700307p	https://doi.org/10.1021/ci700307p	PROPN
admet-1879	483	2	.	.	PUNCT
admet-1879	484	1	[	[	X
admet-1879	484	2	47	47	NUM
admet-1879	484	3	]	]	X
admet-1879	484	4	c.a	c.a	PROPN
admet-1879	484	5	.	.	PROPN
admet-1879	484	6	lipinski	lipinski	PROPN
admet-1879	484	7	.	.	PUNCT
admet-1879	485	1	drug	drug	NOUN
admet-1879	485	2	-	-	PUNCT
admet-1879	485	3	like	like	ADJ
admet-1879	485	4	properties	property	NOUN
admet-1879	485	5	and	and	CCONJ
admet-1879	485	6	the	the	DET
admet-1879	485	7	causes	cause	NOUN
admet-1879	485	8	of	of	ADP
admet-1879	485	9	poor	poor	ADJ
admet-1879	485	10	solubility	solubility	NOUN
admet-1879	485	11	and	and	CCONJ
admet-1879	485	12	poor	poor	ADJ
admet-1879	485	13	permeability	permeability	NOUN
admet-1879	485	14	.	.	PUNCT
admet-1879	486	1	journal	journal	NOUN
admet-1879	486	2	of	of	ADP
admet-1879	486	3	pharmacological	pharmacological	ADJ
admet-1879	486	4	and	and	CCONJ
admet-1879	486	5	toxicological	toxicological	ADJ
admet-1879	486	6	methods	method	NOUN
admet-1879	486	7	44	44	NUM
admet-1879	486	8	(	(	PUNCT
admet-1879	486	9	2000	2000	NUM
admet-1879	486	10	)	)	PUNCT
admet-1879	486	11	235	235	NUM
admet-1879	486	12	-	-	SYM
admet-1879	486	13	249	249	NUM
admet-1879	486	14	.	.	PUNCT
admet-1879	487	1	https://doi.org/10.1016/s10568719(00)00107-6	https://doi.org/10.1016/s10568719(00)00107-6	NOUN
admet-1879	487	2	.	.	PUNCT
admet-1879	488	1	©	©	PROPN
admet-1879	488	2	2023	2023	NUM
admet-1879	488	3	by	by	ADP
admet-1879	488	4	the	the	DET
admet-1879	488	5	authors	author	NOUN
admet-1879	488	6	;	;	PUNCT
admet-1879	488	7	licensee	licensee	PROPN
admet-1879	488	8	iapc	iapc	PROPN
admet-1879	488	9	,	,	PUNCT
admet-1879	488	10	zagreb	zagreb	PROPN
admet-1879	488	11	,	,	PUNCT
admet-1879	488	12	croatia	croatia	PROPN
admet-1879	488	13	.	.	PUNCT
admet-1879	489	1	this	this	DET
admet-1879	489	2	article	article	NOUN
admet-1879	489	3	is	be	AUX
admet-1879	489	4	an	an	DET
admet-1879	489	5	open	open	ADJ
admet-1879	489	6	-	-	PUNCT
admet-1879	489	7	access	access	NOUN
admet-1879	489	8	article	article	NOUN
admet-1879	489	9	distributed	distribute	VERB
admet-1879	489	10	under	under	ADP
admet-1879	489	11	the	the	DET
admet-1879	489	12	terms	term	NOUN
admet-1879	489	13	and	and	CCONJ
admet-1879	489	14	conditions	condition	NOUN
admet-1879	489	15	of	of	ADP
admet-1879	489	16	the	the	DET
admet-1879	489	17	creative	creative	ADJ
admet-1879	489	18	commons	common	NOUN
admet-1879	489	19	attribution	attribution	NOUN
admet-1879	489	20	license	license	NOUN
admet-1879	489	21	(	(	PUNCT
admet-1879	489	22	http://creativecommons.org/licenses/by/3.0/	http://creativecommons.org/licenses/by/3.0/	PROPN
admet-1879	489	23	)	)	PUNCT
admet-1879	489	24	https://doi.org/10.1002/med.21562	https://doi.org/10.1002/med.21562	PROPN
admet-1879	489	25	https://doi.org/10.1016/j.ejps.2020.105274	https://doi.org/10.1016/j.ejps.2020.105274	ADJ
admet-1879	489	26	https://doi.org/10.1016/j.drudis.2020.01.012	https://doi.org/10.1016/j.drudis.2020.01.012	PROPN
admet-1879	489	27	https://doi.org/10.5599/admet.834	https://doi.org/10.5599/admet.834	PROPN
admet-1879	489	28	https://doi.org/10.1021/acs.jmedchem.2c00201	https://doi.org/10.1021/acs.jmedchem.2c00201	VERB
admet-1879	489	29	https://doi.org/10.1038/d41573-022-00001-9	https://doi.org/10.1038/d41573-022-00001-9	NOUN
admet-1879	489	30	https://doi.org/10.1021/ci700307p	https://doi.org/10.1021/ci700307p	VERB
admet-1879	489	31	https://doi.org/10.1016/s10568719(00)00107-6	https://doi.org/10.1016/s10568719(00)00107-6	X
admet-1879	489	32	http://creativecommons.org/licenses/by/3.0/	http://creativecommons.org/licenses/by/3.0/	PROPN