id	sid	tid	token	lemma	pos
admet-835	1	1	three	three	NUM
admet-835	1	2	machine	machine	NOUN
admet-835	1	3	learning	learning	NOUN
admet-835	1	4	models	model	NOUN
admet-835	1	5	for	for	ADP
admet-835	1	6	the	the	DET
admet-835	1	7	2019	2019	NUM
admet-835	1	8	solubility	solubility	NOUN
admet-835	1	9	challenge	challenge	NOUN
admet-835	1	10	doi	doi	NOUN
admet-835	1	11	:	:	PUNCT
admet-835	1	12	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	1	13	215	215	NUM
admet-835	1	14	admet	admet	X
admet-835	1	15	&	&	CCONJ
admet-835	1	16	dmpk	dmpk	PROPN
admet-835	1	17	8(3	8(3	NUM
admet-835	1	18	)	)	PUNCT
admet-835	1	19	(	(	PUNCT
admet-835	1	20	2020	2020	NUM
admet-835	1	21	)	)	PUNCT
admet-835	1	22	215	215	NUM
admet-835	1	23	-	-	SYM
admet-835	1	24	250	250	NUM
admet-835	1	25	;	;	PUNCT
admet-835	1	26	doi	doi	NOUN
admet-835	1	27	:	:	PUNCT
admet-835	1	28	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	1	29	open	open	ADJ
admet-835	1	30	access	access	NOUN
admet-835	1	31	:	:	PUNCT
admet-835	1	32	issn	issn	PROPN
admet-835	1	33	:	:	PUNCT
admet-835	1	34	1848	1848	NUM
admet-835	1	35	-	-	SYM
admet-835	1	36	7718	7718	NUM
admet-835	1	37	http://www.pub.iapchem.org/ojs/index.php/admet/index	http://www.pub.iapchem.org/ojs/index.php/admet/index	NOUN
admet-835	1	38	original	original	ADJ
admet-835	1	39	scientific	scientific	ADJ
admet-835	1	40	paper	paper	NOUN
admet-835	1	41	three	three	NUM
admet-835	1	42	machine	machine	NOUN
admet-835	1	43	learning	learning	NOUN
admet-835	1	44	models	model	NOUN
admet-835	1	45	for	for	ADP
admet-835	1	46	the	the	DET
admet-835	1	47	2019	2019	NUM
admet-835	1	48	solubility	solubility	NOUN
admet-835	1	49	challenge	challenge	NOUN
admet-835	1	50	john	john	PROPN
admet-835	1	51	b.	b.	PROPN
admet-835	1	52	o.	o.	PROPN
admet-835	1	53	mitchell	mitchell	PROPN
admet-835	1	54	eastchem	eastchem	PROPN
admet-835	1	55	school	school	PROPN
admet-835	1	56	of	of	ADP
admet-835	1	57	chemistry	chemistry	NOUN
admet-835	1	58	and	and	CCONJ
admet-835	1	59	biomedical	biomedical	ADJ
admet-835	1	60	sciences	sciences	PROPN
admet-835	1	61	research	research	NOUN
admet-835	1	62	complex	complex	NOUN
admet-835	1	63	,	,	PUNCT
admet-835	1	64	university	university	NOUN
admet-835	1	65	of	of	ADP
admet-835	1	66	st	st	PROPN
admet-835	1	67	andrews	andrews	PROPN
admet-835	1	68	,	,	PUNCT
admet-835	1	69	north	north	PROPN
admet-835	1	70	haugh	haugh	PROPN
admet-835	1	71	,	,	PUNCT
admet-835	1	72	st	st	PROPN
admet-835	1	73	andrews	andrews	PROPN
admet-835	1	74	,	,	PUNCT
admet-835	1	75	scotland	scotland	NOUN
admet-835	1	76	,	,	PUNCT
admet-835	1	77	ky16	ky16	PROPN
admet-835	1	78	9st	9st	NOUN
admet-835	1	79	,	,	PUNCT
admet-835	1	80	uk	uk	PROPN
admet-835	1	81	e	e	NOUN
admet-835	1	82	-	-	NOUN
admet-835	1	83	mail	mail	NOUN
admet-835	1	84	:	:	PUNCT
admet-835	1	85	jbom@st-andrews.ac.uk	jbom@st-andrews.ac.uk	PROPN
admet-835	1	86	received	receive	VERB
admet-835	1	87	:	:	PUNCT
admet-835	1	88	april	april	PROPN
admet-835	1	89	28	28	NUM
admet-835	1	90	,	,	PUNCT
admet-835	1	91	2020	2020	NUM
admet-835	1	92	;	;	PUNCT
admet-835	1	93	revised	revise	VERB
admet-835	1	94	:	:	PUNCT
admet-835	1	95	june	june	PROPN
admet-835	1	96	08	08	NUM
admet-835	1	97	,	,	PUNCT
admet-835	1	98	2020	2020	NUM
admet-835	1	99	;	;	PUNCT
admet-835	1	100	june	june	PROPN
admet-835	1	101	:	:	PUNCT
admet-835	1	102	15	15	NUM
admet-835	1	103	,	,	PUNCT
admet-835	1	104	2020	2020	NUM
admet-835	1	105	abstract	abstract	NOUN
admet-835	1	106	we	we	PRON
admet-835	1	107	describe	describe	VERB
admet-835	1	108	three	three	NUM
admet-835	1	109	machine	machine	NOUN
admet-835	1	110	learning	learning	NOUN
admet-835	1	111	models	model	NOUN
admet-835	1	112	submitted	submit	VERB
admet-835	1	113	to	to	ADP
admet-835	1	114	the	the	DET
admet-835	1	115	2019	2019	NUM
admet-835	1	116	solubility	solubility	NOUN
admet-835	1	117	challenge	challenge	NOUN
admet-835	1	118	.	.	PUNCT
admet-835	2	1	all	all	PRON
admet-835	2	2	are	be	AUX
admet-835	2	3	founded	found	VERB
admet-835	2	4	on	on	ADP
admet-835	2	5	tree	tree	NOUN
admet-835	2	6	-	-	PUNCT
admet-835	2	7	like	like	ADJ
admet-835	2	8	classifiers	classifier	NOUN
admet-835	2	9	,	,	PUNCT
admet-835	2	10	with	with	ADP
admet-835	2	11	one	one	NUM
admet-835	2	12	model	model	NOUN
admet-835	2	13	being	be	AUX
admet-835	2	14	based	base	VERB
admet-835	2	15	on	on	ADP
admet-835	2	16	random	random	ADJ
admet-835	2	17	forest	forest	NOUN
admet-835	2	18	and	and	CCONJ
admet-835	2	19	another	another	PRON
admet-835	2	20	on	on	ADP
admet-835	2	21	the	the	DET
admet-835	2	22	related	relate	VERB
admet-835	2	23	extra	extra	ADJ
admet-835	2	24	trees	tree	NOUN
admet-835	2	25	algorithm	algorithm	NOUN
admet-835	2	26	.	.	PUNCT
admet-835	3	1	the	the	DET
admet-835	3	2	third	third	ADJ
admet-835	3	3	model	model	NOUN
admet-835	3	4	is	be	AUX
admet-835	3	5	a	a	DET
admet-835	3	6	consensus	consensus	NOUN
admet-835	3	7	predictor	predictor	NOUN
admet-835	3	8	combining	combine	VERB
admet-835	3	9	the	the	DET
admet-835	3	10	former	former	ADJ
admet-835	3	11	two	two	NUM
admet-835	3	12	with	with	ADP
admet-835	3	13	a	a	DET
admet-835	3	14	bagging	bagging	NOUN
admet-835	3	15	classifier	classifier	NOUN
admet-835	3	16	.	.	PUNCT
admet-835	4	1	we	we	PRON
admet-835	4	2	call	call	VERB
admet-835	4	3	this	this	DET
admet-835	4	4	consensus	consensus	NOUN
admet-835	4	5	classifier	classifier	NOUN
admet-835	4	6	vox	vox	PROPN
admet-835	4	7	machinarum	machinarum	PROPN
admet-835	4	8	,	,	PUNCT
admet-835	4	9	and	and	CCONJ
admet-835	4	10	here	here	ADV
admet-835	4	11	discuss	discuss	VERB
admet-835	4	12	how	how	SCONJ
admet-835	4	13	it	it	PRON
admet-835	4	14	benefits	benefit	VERB
admet-835	4	15	from	from	ADP
admet-835	4	16	the	the	DET
admet-835	4	17	wisdom	wisdom	NOUN
admet-835	4	18	of	of	ADP
admet-835	4	19	crowds	crowd	NOUN
admet-835	4	20	.	.	PUNCT
admet-835	5	1	on	on	ADP
admet-835	5	2	the	the	DET
admet-835	5	3	first	first	ADJ
admet-835	5	4	2019	2019	NUM
admet-835	5	5	solubility	solubility	NOUN
admet-835	5	6	challenge	challenge	NOUN
admet-835	5	7	test	test	NOUN
admet-835	5	8	set	set	NOUN
admet-835	5	9	of	of	ADP
admet-835	5	10	100	100	NUM
admet-835	5	11	low	low	ADJ
admet-835	5	12	-	-	PUNCT
admet-835	5	13	variance	variance	NOUN
admet-835	5	14	intrinsic	intrinsic	ADJ
admet-835	5	15	aqueous	aqueous	ADJ
admet-835	5	16	solubilities	solubility	NOUN
admet-835	5	17	,	,	PUNCT
admet-835	5	18	extra	extra	ADJ
admet-835	5	19	trees	tree	NOUN
admet-835	5	20	is	be	AUX
admet-835	5	21	our	our	PRON
admet-835	5	22	best	good	ADJ
admet-835	5	23	classifier	classifier	NOUN
admet-835	5	24	.	.	PUNCT
admet-835	6	1	one	one	NUM
admet-835	6	2	the	the	DET
admet-835	6	3	other	other	ADJ
admet-835	6	4	,	,	PUNCT
admet-835	6	5	a	a	DET
admet-835	6	6	high	high	ADJ
admet-835	6	7	-	-	PUNCT
admet-835	6	8	variance	variance	NOUN
admet-835	6	9	set	set	NOUN
admet-835	6	10	of	of	ADP
admet-835	6	11	32	32	NUM
admet-835	6	12	molecules	molecule	NOUN
admet-835	6	13	,	,	PUNCT
admet-835	6	14	we	we	PRON
admet-835	6	15	find	find	VERB
admet-835	6	16	that	that	SCONJ
admet-835	6	17	vox	vox	PROPN
admet-835	6	18	machinarum	machinarum	PROPN
admet-835	6	19	and	and	CCONJ
admet-835	6	20	random	random	ADJ
admet-835	6	21	forest	forest	NOUN
admet-835	6	22	both	both	PRON
admet-835	6	23	perform	perform	VERB
admet-835	6	24	a	a	DET
admet-835	6	25	little	little	ADJ
admet-835	6	26	better	well	ADJ
admet-835	6	27	than	than	ADP
admet-835	6	28	extra	extra	ADJ
admet-835	6	29	trees	tree	NOUN
admet-835	6	30	,	,	PUNCT
admet-835	6	31	and	and	CCONJ
admet-835	6	32	almost	almost	ADV
admet-835	6	33	equally	equally	ADV
admet-835	6	34	to	to	ADP
admet-835	6	35	one	one	NUM
admet-835	6	36	another	another	DET
admet-835	6	37	.	.	PUNCT
admet-835	7	1	we	we	PRON
admet-835	7	2	also	also	ADV
admet-835	7	3	compare	compare	VERB
admet-835	7	4	the	the	DET
admet-835	7	5	gold	gold	ADJ
admet-835	7	6	standard	standard	ADJ
admet-835	7	7	solubilities	solubility	NOUN
admet-835	7	8	from	from	ADP
admet-835	7	9	the	the	DET
admet-835	7	10	2019	2019	NUM
admet-835	7	11	solubility	solubility	NOUN
admet-835	7	12	challenge	challenge	NOUN
admet-835	7	13	with	with	ADP
admet-835	7	14	a	a	DET
admet-835	7	15	set	set	NOUN
admet-835	7	16	of	of	ADP
admet-835	7	17	literature	literature	NOUN
admet-835	7	18	-	-	PUNCT
admet-835	7	19	based	base	VERB
admet-835	7	20	solubilities	solubility	NOUN
admet-835	7	21	for	for	ADP
admet-835	7	22	most	most	ADJ
admet-835	7	23	of	of	ADP
admet-835	7	24	the	the	DET
admet-835	7	25	same	same	ADJ
admet-835	7	26	compounds	compound	NOUN
admet-835	7	27	.	.	PUNCT
admet-835	8	1	©	©	PROPN
admet-835	8	2	2020	2020	NUM
admet-835	8	3	by	by	ADP
admet-835	8	4	the	the	DET
admet-835	8	5	authors	author	NOUN
admet-835	8	6	.	.	PUNCT
admet-835	9	1	this	this	DET
admet-835	9	2	article	article	NOUN
admet-835	9	3	is	be	AUX
admet-835	9	4	an	an	DET
admet-835	9	5	open	open	ADJ
admet-835	9	6	-	-	PUNCT
admet-835	9	7	access	access	NOUN
admet-835	9	8	article	article	NOUN
admet-835	9	9	distributed	distribute	VERB
admet-835	9	10	under	under	ADP
admet-835	9	11	the	the	DET
admet-835	9	12	terms	term	NOUN
admet-835	9	13	and	and	CCONJ
admet-835	9	14	conditions	condition	NOUN
admet-835	9	15	of	of	ADP
admet-835	9	16	the	the	DET
admet-835	9	17	creative	creative	ADJ
admet-835	9	18	commons	common	NOUN
admet-835	9	19	attribution	attribution	NOUN
admet-835	9	20	license	license	NOUN
admet-835	9	21	(	(	PUNCT
admet-835	9	22	http://creativecommons.org/licenses/by/4.0/	http://creativecommons.org/licenses/by/4.0/	PROPN
admet-835	9	23	)	)	PUNCT
admet-835	9	24	.	.	PUNCT
admet-835	10	1	keywords	keyword	VERB
admet-835	10	2	aqueous	aqueous	ADJ
admet-835	10	3	intrinsic	intrinsic	ADJ
admet-835	10	4	solubility	solubility	NOUN
admet-835	10	5	;	;	PUNCT
admet-835	10	6	solubility	solubility	NOUN
admet-835	10	7	prediction	prediction	NOUN
admet-835	10	8	;	;	PUNCT
admet-835	10	9	random	random	ADJ
admet-835	10	10	forest	forest	NOUN
admet-835	10	11	;	;	PUNCT
admet-835	10	12	extra	extra	ADJ
admet-835	10	13	trees	tree	NOUN
admet-835	10	14	;	;	PUNCT
admet-835	10	15	bagging	bagging	NOUN
admet-835	10	16	;	;	PUNCT
admet-835	10	17	consensus	consensus	NOUN
admet-835	10	18	classifiers	classifier	NOUN
admet-835	10	19	;	;	PUNCT
admet-835	10	20	wisdom	wisdom	NOUN
admet-835	10	21	of	of	ADP
admet-835	10	22	crowds	crowd	NOUN
admet-835	10	23	;	;	PUNCT
admet-835	10	24	inter	inter	ADJ
admet-835	10	25	-	-	ADJ
admet-835	10	26	laboratory	laboratory	ADJ
admet-835	10	27	error	error	NOUN
admet-835	10	28	introduction	introduction	NOUN
admet-835	10	29	aqueous	aqueous	ADJ
admet-835	10	30	solubility	solubility	NOUN
admet-835	10	31	remains	remain	VERB
admet-835	10	32	one	one	NUM
admet-835	10	33	of	of	ADP
admet-835	10	34	the	the	DET
admet-835	10	35	most	most	ADV
admet-835	10	36	significant	significant	ADJ
admet-835	10	37	challenges	challenge	NOUN
admet-835	10	38	in	in	ADP
admet-835	10	39	drug	drug	NOUN
admet-835	10	40	development	development	NOUN
admet-835	10	41	,	,	PUNCT
admet-835	10	42	with	with	ADP
admet-835	10	43	failure	failure	NOUN
admet-835	10	44	to	to	PART
admet-835	10	45	produce	produce	VERB
admet-835	10	46	bioavailable	bioavailable	ADJ
admet-835	10	47	compounds	compound	NOUN
admet-835	10	48	potentially	potentially	ADV
admet-835	10	49	denying	deny	VERB
admet-835	10	50	patients	patient	NOUN
admet-835	10	51	much	much	ADV
admet-835	10	52	-	-	PUNCT
admet-835	10	53	needed	need	VERB
admet-835	10	54	therapeutic	therapeutic	ADJ
admet-835	10	55	interventions	intervention	NOUN
admet-835	10	56	,	,	PUNCT
admet-835	10	57	while	while	SCONJ
admet-835	10	58	costing	cost	VERB
admet-835	10	59	pharmaceutical	pharmaceutical	NOUN
admet-835	10	60	companies	company	NOUN
admet-835	10	61	years	year	NOUN
admet-835	10	62	of	of	ADP
admet-835	10	63	time	time	NOUN
admet-835	10	64	and	and	CCONJ
admet-835	10	65	hundreds	hundred	NOUN
admet-835	10	66	of	of	ADP
admet-835	10	67	millions	million	NOUN
admet-835	10	68	of	of	ADP
admet-835	10	69	dollars	dollar	NOUN
admet-835	10	70	,	,	PUNCT
admet-835	10	71	euros	euro	NOUN
admet-835	10	72	or	or	CCONJ
admet-835	10	73	pounds	pound	NOUN
admet-835	10	74	.	.	PUNCT
admet-835	11	1	the	the	DET
admet-835	11	2	oft	oft	ADV
admet-835	11	3	-	-	PUNCT
admet-835	11	4	quoted	quote	VERB
admet-835	11	5	facts	fact	NOUN
admet-835	11	6	are	be	AUX
admet-835	11	7	that	that	SCONJ
admet-835	11	8	as	as	ADV
admet-835	11	9	many	many	ADJ
admet-835	11	10	as	as	ADP
admet-835	11	11	70	70	NUM
admet-835	11	12	%	%	NOUN
admet-835	11	13	of	of	ADP
admet-835	11	14	drugs	drug	NOUN
admet-835	11	15	in	in	ADP
admet-835	11	16	development	development	NOUN
admet-835	11	17	have	have	VERB
admet-835	11	18	problematic	problematic	ADJ
admet-835	11	19	solubility	solubility	NOUN
admet-835	11	20	issues	issue	NOUN
admet-835	11	21	[	[	X
admet-835	11	22	1	1	NUM
admet-835	11	23	]	]	PUNCT
admet-835	11	24	,	,	PUNCT
admet-835	11	25	and	and	CCONJ
admet-835	11	26	inadequate	inadequate	ADJ
admet-835	11	27	water	water	NOUN
admet-835	11	28	solubility	solubility	NOUN
admet-835	11	29	remains	remain	VERB
admet-835	11	30	a	a	DET
admet-835	11	31	major	major	ADJ
admet-835	11	32	cause	cause	NOUN
admet-835	11	33	of	of	ADP
admet-835	11	34	failure	failure	NOUN
admet-835	11	35	of	of	ADP
admet-835	11	36	drug	drug	NOUN
admet-835	11	37	development	development	NOUN
admet-835	11	38	projects	project	NOUN
admet-835	11	39	[	[	X
admet-835	11	40	2	2	NUM
admet-835	11	41	]	]	PUNCT
admet-835	11	42	.	.	PUNCT
admet-835	12	1	solubility	solubility	NOUN
admet-835	12	2	is	be	AUX
admet-835	12	3	also	also	ADV
admet-835	12	4	a	a	DET
admet-835	12	5	significant	significant	ADJ
admet-835	12	6	challenge	challenge	NOUN
admet-835	12	7	for	for	ADP
admet-835	12	8	computational	computational	ADJ
admet-835	12	9	chemistry	chemistry	NOUN
admet-835	12	10	[	[	X
admet-835	12	11	3,4	3,4	NUM
admet-835	12	12	]	]	PUNCT
admet-835	12	13	.	.	PUNCT
admet-835	13	1	first	first	ADJ
admet-835	13	2	principles	principle	NOUN
admet-835	13	3	approaches	approach	NOUN
admet-835	13	4	have	have	AUX
admet-835	13	5	made	make	VERB
admet-835	13	6	some	some	DET
admet-835	13	7	progress	progress	NOUN
admet-835	13	8	in	in	ADP
admet-835	13	9	recent	recent	ADJ
admet-835	13	10	years	year	NOUN
admet-835	13	11	,	,	PUNCT
admet-835	13	12	and	and	CCONJ
admet-835	13	13	in	in	ADP
admet-835	13	14	the	the	DET
admet-835	13	15	longer	long	ADJ
admet-835	13	16	term	term	NOUN
admet-835	13	17	may	may	AUX
admet-835	13	18	provide	provide	VERB
admet-835	13	19	the	the	DET
admet-835	13	20	most	most	ADV
admet-835	13	21	satisfactory	satisfactory	ADJ
admet-835	13	22	means	mean	NOUN
admet-835	13	23	of	of	ADP
admet-835	13	24	computing	compute	VERB
admet-835	13	25	solubility	solubility	NOUN
admet-835	14	1	[	[	X
admet-835	14	2	5	5	NUM
admet-835	14	3	-	-	SYM
admet-835	14	4	11	11	NUM
admet-835	14	5	]	]	PUNCT
admet-835	14	6	.	.	PUNCT
admet-835	15	1	however	however	ADV
admet-835	15	2	,	,	PUNCT
admet-835	15	3	currently	currently	ADV
admet-835	15	4	such	such	ADJ
admet-835	15	5	first	first	ADJ
admet-835	15	6	principles	principle	NOUN
admet-835	15	7	methods	method	NOUN
admet-835	15	8	require	require	VERB
admet-835	15	9	a	a	DET
admet-835	15	10	substantial	substantial	ADJ
admet-835	15	11	amount	amount	NOUN
admet-835	15	12	of	of	ADP
admet-835	15	13	computer	computer	NOUN
admet-835	15	14	time	time	NOUN
admet-835	15	15	and	and	CCONJ
admet-835	15	16	,	,	PUNCT
admet-835	15	17	despite	despite	SCONJ
admet-835	15	18	potentially	potentially	ADV
admet-835	15	19	providing	provide	VERB
admet-835	15	20	more	more	ADV
admet-835	15	21	theoretical	theoretical	ADJ
admet-835	15	22	insight	insight	NOUN
admet-835	15	23	,	,	PUNCT
admet-835	15	24	are	be	AUX
admet-835	15	25	generally	generally	ADV
admet-835	15	26	less	less	ADV
admet-835	15	27	accurate	accurate	ADJ
admet-835	15	28	in	in	ADP
admet-835	15	29	their	their	PRON
admet-835	15	30	quantitative	quantitative	ADJ
admet-835	15	31	predictions	prediction	NOUN
admet-835	15	32	[	[	X
admet-835	15	33	3	3	NUM
admet-835	15	34	]	]	PUNCT
admet-835	15	35	than	than	SCONJ
admet-835	15	36	are	be	AUX
admet-835	15	37	the	the	DET
admet-835	15	38	more	more	ADV
admet-835	15	39	empirical	empirical	ADJ
admet-835	15	40	informatics	informatics	NOUN
admet-835	15	41	approaches	approach	NOUN
admet-835	15	42	.	.	PUNCT
admet-835	16	1	data	data	NOUN
admet-835	16	2	-	-	PUNCT
admet-835	16	3	driven	drive	VERB
admet-835	16	4	approaches	approach	NOUN
admet-835	16	5	have	have	AUX
admet-835	16	6	been	be	AUX
admet-835	16	7	developed	develop	VERB
admet-835	16	8	over	over	ADP
admet-835	16	9	the	the	DET
admet-835	16	10	years	year	NOUN
admet-835	16	11	.	.	PUNCT
admet-835	17	1	originally	originally	ADV
admet-835	17	2	usually	usually	ADV
admet-835	17	3	labelled	label	VERB
admet-835	17	4	qspr	qspr	NOUN
admet-835	17	5	(	(	PUNCT
admet-835	17	6	quantitative	quantitative	ADJ
admet-835	17	7	structure	structure	NOUN
admet-835	17	8	-	-	PUNCT
admet-835	17	9	property	property	NOUN
admet-835	17	10	relationship	relationship	NOUN
admet-835	17	11	)	)	PUNCT
admet-835	17	12	,	,	PUNCT
admet-835	17	13	they	they	PRON
admet-835	17	14	became	become	VERB
admet-835	17	15	informatics	informatic	NOUN
admet-835	17	16	,	,	PUNCT
admet-835	17	17	and	and	CCONJ
admet-835	17	18	more	more	ADV
admet-835	17	19	recently	recently	ADV
admet-835	17	20	machine	machine	NOUN
admet-835	17	21	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	17	22	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	17	23	http://www.pub.iapchem.org/ojs/index.php/admet/index	http://www.pub.iapchem.org/ojs/index.php/admet/index	PROPN
admet-835	17	24	mailto:jbom@st-andrews.ac.uk	mailto:jbom@st-andrews.ac.uk	PROPN
admet-835	17	25	http://creativecommons.org/licenses/by/4.0/	http://creativecommons.org/licenses/by/4.0/	PROPN
admet-835	17	26	john	john	PROPN
admet-835	17	27	b.	b.	PROPN
admet-835	17	28	o.	o.	PROPN
admet-835	17	29	mitchell	mitchell	PROPN
admet-835	17	30	admet	admet	PROPN
admet-835	17	31	&	&	CCONJ
admet-835	17	32	dmpk	dmpk	PROPN
admet-835	17	33	8(3	8(3	NUM
admet-835	17	34	)	)	PUNCT
admet-835	17	35	(	(	PUNCT
admet-835	17	36	2020	2020	NUM
admet-835	17	37	)	)	PUNCT
admet-835	17	38	215	215	NUM
admet-835	17	39	-	-	SYM
admet-835	17	40	250	250	NUM
admet-835	17	41	216	216	NUM
admet-835	17	42	learning	learning	NOUN
admet-835	17	43	(	(	PUNCT
admet-835	17	44	ml	ml	NOUN
admet-835	17	45	)	)	PUNCT
admet-835	17	46	.	.	PUNCT
admet-835	18	1	this	this	PRON
admet-835	18	2	reflects	reflect	VERB
admet-835	18	3	the	the	DET
admet-835	18	4	use	use	NOUN
admet-835	18	5	of	of	ADP
admet-835	18	6	more	more	ADV
admet-835	18	7	sophisticated	sophisticated	ADJ
admet-835	18	8	computational	computational	ADJ
admet-835	18	9	algorithms	algorithm	NOUN
admet-835	18	10	to	to	PART
admet-835	18	11	derive	derive	VERB
admet-835	18	12	predictions	prediction	NOUN
admet-835	18	13	of	of	ADP
admet-835	18	14	unknown	unknown	ADJ
admet-835	18	15	solubilities	solubility	NOUN
admet-835	18	16	from	from	ADP
admet-835	18	17	available	available	ADJ
admet-835	18	18	experimental	experimental	ADJ
admet-835	18	19	solubility	solubility	NOUN
admet-835	18	20	data	datum	NOUN
admet-835	18	21	for	for	ADP
admet-835	18	22	similar	similar	ADJ
admet-835	18	23	compounds	compound	NOUN
admet-835	18	24	.	.	PUNCT
admet-835	19	1	early	early	ADJ
admet-835	19	2	efforts	effort	NOUN
admet-835	19	3	to	to	PART
admet-835	19	4	predict	predict	VERB
admet-835	19	5	solubility	solubility	NOUN
admet-835	19	6	were	be	AUX
admet-835	19	7	simple	simple	ADJ
admet-835	19	8	linear	linear	NOUN
admet-835	19	9	regressions	regression	NOUN
admet-835	19	10	[	[	X
admet-835	19	11	12	12	NUM
admet-835	19	12	-	-	SYM
admet-835	19	13	14	14	NUM
admet-835	19	14	]	]	PUNCT
admet-835	19	15	,	,	PUNCT
admet-835	19	16	these	these	PRON
admet-835	19	17	were	be	AUX
admet-835	19	18	followed	follow	VERB
admet-835	19	19	by	by	ADP
admet-835	19	20	multi	multi	ADJ
admet-835	19	21	-	-	ADJ
admet-835	19	22	linear	linear	ADJ
admet-835	19	23	regressions	regression	NOUN
admet-835	19	24	[	[	X
admet-835	19	25	15	15	NUM
admet-835	19	26	-	-	SYM
admet-835	19	27	17	17	NUM
admet-835	19	28	]	]	PUNCT
admet-835	19	29	,	,	PUNCT
admet-835	19	30	and	and	CCONJ
admet-835	19	31	then	then	ADV
admet-835	19	32	by	by	ADP
admet-835	19	33	ml	ml	ADP
admet-835	19	34	algorithms	algorithm	NOUN
admet-835	19	35	adopted	adopt	VERB
admet-835	19	36	from	from	ADP
admet-835	19	37	computer	computer	NOUN
admet-835	19	38	science	science	NOUN
admet-835	19	39	and	and	CCONJ
admet-835	19	40	offering	offer	VERB
admet-835	19	41	sufficient	sufficient	ADJ
admet-835	19	42	flexibility	flexibility	NOUN
admet-835	19	43	to	to	PART
admet-835	19	44	model	model	VERB
admet-835	19	45	non	non	ADJ
admet-835	19	46	-	-	ADJ
admet-835	19	47	linear	linear	ADJ
admet-835	19	48	relationships	relationship	NOUN
admet-835	19	49	.	.	PUNCT
admet-835	20	1	these	these	PRON
admet-835	20	2	include	include	VERB
admet-835	20	3	artificial	artificial	ADJ
admet-835	20	4	neural	neural	ADJ
admet-835	20	5	networks	network	NOUN
admet-835	20	6	(	(	PUNCT
admet-835	20	7	ann	ann	PROPN
admet-835	20	8	)	)	PUNCT
admet-835	21	1	[	[	X
admet-835	21	2	18	18	NUM
admet-835	21	3	]	]	PUNCT
admet-835	21	4	,	,	PUNCT
admet-835	21	5	support	support	NOUN
admet-835	21	6	vector	vector	NOUN
admet-835	21	7	machines	machine	NOUN
admet-835	21	8	(	(	PUNCT
admet-835	21	9	svm	svm	PROPN
admet-835	21	10	)	)	PUNCT
admet-835	21	11	[	[	X
admet-835	21	12	19	19	NUM
admet-835	21	13	]	]	PUNCT
admet-835	21	14	,	,	PUNCT
admet-835	21	15	k	k	X
admet-835	21	16	-	-	PUNCT
admet-835	21	17	nearest	near	ADJ
admet-835	21	18	neighbours	neighbour	NOUN
admet-835	21	19	(	(	PUNCT
admet-835	21	20	knn	knn	PROPN
admet-835	21	21	)	)	PUNCT
admet-835	22	1	[	[	X
admet-835	22	2	20	20	NUM
admet-835	22	3	]	]	PUNCT
admet-835	22	4	,	,	PUNCT
admet-835	22	5	random	random	ADJ
admet-835	22	6	forest	forest	NOUN
admet-835	22	7	(	(	PUNCT
admet-835	22	8	rf	rf	NOUN
admet-835	22	9	)	)	PUNCT
admet-835	23	1	[	[	X
admet-835	23	2	21	21	NUM
admet-835	23	3	]	]	PUNCT
admet-835	23	4	,	,	PUNCT
admet-835	23	5	and	and	CCONJ
admet-835	23	6	deep	deep	ADJ
admet-835	23	7	learning	learning	NOUN
admet-835	24	1	[	[	X
admet-835	24	2	22	22	NUM
admet-835	24	3	]	]	PUNCT
admet-835	24	4	.	.	PUNCT
admet-835	25	1	the	the	DET
admet-835	25	2	cited	cite	VERB
admet-835	25	3	publications	publication	NOUN
admet-835	25	4	and	and	CCONJ
admet-835	25	5	others	other	NOUN
admet-835	25	6	in	in	ADP
admet-835	25	7	the	the	DET
admet-835	25	8	field	field	NOUN
admet-835	25	9	have	have	AUX
admet-835	25	10	trained	train	VERB
admet-835	25	11	and	and	CCONJ
admet-835	25	12	tested	test	VERB
admet-835	25	13	their	their	PRON
admet-835	25	14	models	model	NOUN
admet-835	25	15	using	use	VERB
admet-835	25	16	a	a	DET
admet-835	25	17	variety	variety	NOUN
admet-835	25	18	of	of	ADP
admet-835	25	19	different	different	ADJ
admet-835	25	20	datasets	dataset	NOUN
admet-835	25	21	.	.	PUNCT
admet-835	26	1	this	this	PRON
admet-835	26	2	makes	make	VERB
admet-835	26	3	comparison	comparison	NOUN
admet-835	26	4	between	between	ADP
admet-835	26	5	different	different	ADJ
admet-835	26	6	methodologies	methodology	NOUN
admet-835	26	7	somewhat	somewhat	ADV
admet-835	26	8	problematic	problematic	ADJ
admet-835	26	9	.	.	PUNCT
admet-835	27	1	thus	thus	ADV
admet-835	27	2	,	,	PUNCT
admet-835	27	3	in	in	ADP
admet-835	27	4	2008	2008	NUM
admet-835	27	5	the	the	DET
admet-835	27	6	journal	journal	NOUN
admet-835	27	7	of	of	ADP
admet-835	27	8	chemical	chemical	ADJ
admet-835	27	9	information	information	NOUN
admet-835	27	10	and	and	CCONJ
admet-835	27	11	modeling	modeling	NOUN
admet-835	27	12	announced	announce	VERB
admet-835	27	13	a	a	DET
admet-835	27	14	solubility	solubility	NOUN
admet-835	27	15	challenge	challenge	NOUN
admet-835	27	16	[	[	X
admet-835	27	17	23	23	NUM
admet-835	27	18	]	]	PUNCT
admet-835	27	19	,	,	PUNCT
admet-835	27	20	with	with	ADP
admet-835	27	21	entrants	entrant	NOUN
admet-835	27	22	invited	invite	VERB
admet-835	27	23	to	to	PART
admet-835	27	24	predict	predict	VERB
admet-835	27	25	the	the	DET
admet-835	27	26	newly	newly	ADV
admet-835	27	27	measured	measure	VERB
admet-835	27	28	and	and	CCONJ
admet-835	27	29	unrevealed	unrevealed	ADJ
admet-835	27	30	intrinsic	intrinsic	ADJ
admet-835	27	31	aqueous	aqueous	ADJ
admet-835	27	32	solubilities	solubility	NOUN
admet-835	27	33	of	of	ADP
admet-835	27	34	32	32	NUM
admet-835	27	35	test	test	NOUN
admet-835	27	36	compounds	compound	NOUN
admet-835	27	37	,	,	PUNCT
admet-835	27	38	given	give	VERB
admet-835	27	39	a	a	DET
admet-835	27	40	training	training	NOUN
admet-835	27	41	set	set	NOUN
admet-835	27	42	of	of	ADP
admet-835	27	43	100	100	NUM
admet-835	27	44	values	value	NOUN
admet-835	27	45	for	for	ADP
admet-835	27	46	a	a	DET
admet-835	27	47	chemically	chemically	ADV
admet-835	27	48	similar	similar	ADJ
admet-835	27	49	druglike	druglike	NOUN
admet-835	27	50	set	set	NOUN
admet-835	27	51	.	.	PUNCT
admet-835	28	1	all	all	DET
admet-835	28	2	132	132	NUM
admet-835	28	3	solubilities	solubility	NOUN
admet-835	28	4	were	be	AUX
admet-835	28	5	measured	measure	VERB
admet-835	28	6	using	use	VERB
admet-835	28	7	the	the	DET
admet-835	28	8	cheqsol	cheqsol	ADJ
admet-835	28	9	method	method	NOUN
admet-835	28	10	[	[	X
admet-835	28	11	24	24	NUM
admet-835	28	12	]	]	PUNCT
admet-835	28	13	.	.	PUNCT
admet-835	29	1	the	the	DET
admet-835	29	2	results	result	NOUN
admet-835	29	3	,	,	PUNCT
admet-835	29	4	announced	announce	VERB
admet-835	29	5	in	in	ADP
admet-835	29	6	2009	2009	NUM
admet-835	29	7	[	[	X
admet-835	29	8	25	25	NUM
admet-835	29	9	]	]	PUNCT
admet-835	29	10	gave	give	VERB
admet-835	29	11	some	some	DET
admet-835	29	12	insight	insight	NOUN
admet-835	29	13	into	into	ADP
admet-835	29	14	the	the	DET
admet-835	29	15	then	then	ADV
admet-835	29	16	state	state	NOUN
admet-835	29	17	of	of	ADP
admet-835	29	18	the	the	DET
admet-835	29	19	field	field	NOUN
admet-835	29	20	,	,	PUNCT
admet-835	29	21	although	although	SCONJ
admet-835	29	22	it	it	PRON
admet-835	29	23	would	would	AUX
admet-835	29	24	have	have	AUX
admet-835	29	25	been	be	AUX
admet-835	29	26	helpful	helpful	ADJ
admet-835	29	27	to	to	PART
admet-835	29	28	have	have	AUX
admet-835	29	29	learned	learn	VERB
admet-835	29	30	rather	rather	ADV
admet-835	29	31	more	more	ADJ
admet-835	29	32	about	about	ADP
admet-835	29	33	the	the	DET
admet-835	29	34	methodologies	methodology	NOUN
admet-835	29	35	used	use	VERB
admet-835	29	36	by	by	ADP
admet-835	29	37	the	the	DET
admet-835	29	38	99	99	NUM
admet-835	29	39	entrants	entrant	NOUN
admet-835	29	40	.	.	PUNCT
admet-835	30	1	the	the	DET
admet-835	30	2	2019	2019	NUM
admet-835	30	3	solubility	solubility	NOUN
admet-835	30	4	challenge	challenge	NOUN
admet-835	30	5	[	[	X
admet-835	30	6	26	26	NUM
admet-835	30	7	]	]	PUNCT
admet-835	30	8	has	have	AUX
admet-835	30	9	provided	provide	VERB
admet-835	30	10	an	an	DET
admet-835	30	11	opportunity	opportunity	NOUN
admet-835	30	12	to	to	PART
admet-835	30	13	revisit	revisit	VERB
admet-835	30	14	this	this	DET
admet-835	30	15	exercise	exercise	NOUN
admet-835	30	16	,	,	PUNCT
admet-835	30	17	a	a	DET
admet-835	30	18	decade	decade	NOUN
admet-835	30	19	on	on	ADP
admet-835	30	20	.	.	PUNCT
admet-835	31	1	this	this	DET
admet-835	31	2	new	new	ADJ
admet-835	31	3	challenge	challenge	NOUN
admet-835	31	4	differed	differ	VERB
admet-835	31	5	from	from	ADP
admet-835	31	6	its	its	PRON
admet-835	31	7	predecessor	predecessor	NOUN
admet-835	31	8	in	in	ADP
admet-835	31	9	a	a	DET
admet-835	31	10	number	number	NOUN
admet-835	31	11	of	of	ADP
admet-835	31	12	ways	way	NOUN
admet-835	31	13	.	.	PUNCT
admet-835	32	1	there	there	PRON
admet-835	32	2	were	be	VERB
admet-835	32	3	two	two	NUM
admet-835	32	4	test	test	NOUN
admet-835	32	5	sets	set	NOUN
admet-835	32	6	provided	provide	VERB
admet-835	32	7	,	,	PUNCT
admet-835	32	8	based	base	VERB
admet-835	32	9	on	on	ADP
admet-835	32	10	inter	inter	ADJ
admet-835	32	11	-	-	ADJ
admet-835	32	12	laboratory	laboratory	ADJ
admet-835	32	13	averages	average	NOUN
admet-835	32	14	of	of	ADP
admet-835	32	15	shake	shake	VERB
admet-835	32	16	flask	flask	NOUN
admet-835	32	17	data	datum	NOUN
admet-835	32	18	,	,	PUNCT
admet-835	32	19	but	but	CCONJ
admet-835	32	20	no	no	DET
admet-835	32	21	standardised	standardised	ADJ
admet-835	32	22	training	training	NOUN
admet-835	32	23	set	set	NOUN
admet-835	32	24	.	.	PUNCT
admet-835	33	1	a	a	DET
admet-835	33	2	first	first	ADJ
admet-835	33	3	100compound	100compound	PROPN
admet-835	33	4	test	test	NOUN
admet-835	33	5	set	set	NOUN
admet-835	33	6	was	be	AUX
admet-835	33	7	composed	compose	VERB
admet-835	33	8	of	of	ADP
admet-835	33	9	tight	tight	ADJ
admet-835	33	10	low	low	ADJ
admet-835	33	11	-	-	PUNCT
admet-835	33	12	variability	variability	NOUN
admet-835	33	13	data	datum	NOUN
admet-835	33	14	with	with	ADP
admet-835	33	15	inter	inter	ADJ
admet-835	33	16	-	-	ADJ
admet-835	33	17	laboratory	laboratory	ADJ
admet-835	33	18	standard	standard	ADJ
admet-835	33	19	deviation	deviation	NOUN
admet-835	33	20	given	give	VERB
admet-835	33	21	as	as	ADP
admet-835	33	22	~0.17	~0.17	X
admet-835	33	23	logs	log	NOUN
admet-835	33	24	units	unit	NOUN
admet-835	33	25	.	.	PUNCT
admet-835	34	1	here	here	ADV
admet-835	34	2	and	and	CCONJ
admet-835	34	3	throughout	throughout	ADP
admet-835	34	4	this	this	DET
admet-835	34	5	work	work	NOUN
admet-835	34	6	,	,	PUNCT
admet-835	34	7	the	the	DET
admet-835	34	8	base	base	NOUN
admet-835	34	9	ten	ten	NUM
admet-835	34	10	logarithm	logarithm	NOUN
admet-835	34	11	is	be	AUX
admet-835	34	12	used	use	VERB
admet-835	34	13	.	.	PUNCT
admet-835	35	1	a	a	DET
admet-835	35	2	second	second	ADJ
admet-835	35	3	32molecule	32molecule	NOUN
admet-835	35	4	set	set	NOUN
admet-835	35	5	was	be	AUX
admet-835	35	6	listed	list	VERB
admet-835	35	7	as	as	ADP
admet-835	35	8	loose	loose	ADJ
admet-835	35	9	data	datum	NOUN
admet-835	35	10	with	with	ADP
admet-835	35	11	a	a	DET
admet-835	35	12	higher	high	ADJ
admet-835	35	13	reported	report	VERB
admet-835	35	14	inter	inter	ADJ
admet-835	35	15	-	-	ADJ
admet-835	35	16	laboratory	laboratory	ADJ
admet-835	35	17	standard	standard	ADJ
admet-835	35	18	deviation	deviation	NOUN
admet-835	35	19	of	of	ADP
admet-835	35	20	~0.62	~0.62	PUNCT
admet-835	35	21	logs	log	NOUN
admet-835	35	22	units	unit	NOUN
admet-835	35	23	.	.	PUNCT
admet-835	36	1	these	these	DET
admet-835	36	2	sets	set	NOUN
admet-835	36	3	contained	contain	VERB
admet-835	36	4	numerous	numerous	ADJ
admet-835	36	5	compounds	compound	NOUN
admet-835	36	6	whose	whose	DET
admet-835	36	7	solubilities	solubility	NOUN
admet-835	36	8	have	have	AUX
admet-835	36	9	previously	previously	ADV
admet-835	36	10	been	be	AUX
admet-835	36	11	reported	report	VERB
admet-835	36	12	in	in	ADP
admet-835	36	13	the	the	DET
admet-835	36	14	literature	literature	NOUN
admet-835	36	15	,	,	PUNCT
admet-835	36	16	so	so	SCONJ
admet-835	36	17	it	it	PRON
admet-835	36	18	was	be	AUX
admet-835	36	19	left	leave	VERB
admet-835	36	20	up	up	ADP
admet-835	36	21	to	to	ADP
admet-835	36	22	the	the	DET
admet-835	36	23	entrants	entrant	NOUN
admet-835	36	24	’	'	PUNCT
admet-835	36	25	integrity	integrity	NOUN
admet-835	36	26	and	and	CCONJ
admet-835	36	27	diligence	diligence	NOUN
admet-835	36	28	to	to	PART
admet-835	36	29	ensure	ensure	VERB
admet-835	36	30	that	that	SCONJ
admet-835	36	31	those	those	DET
admet-835	36	32	compounds	compound	NOUN
admet-835	36	33	were	be	AUX
admet-835	36	34	omitted	omit	VERB
admet-835	36	35	from	from	ADP
admet-835	36	36	whatever	whatever	DET
admet-835	36	37	training	training	NOUN
admet-835	36	38	data	datum	NOUN
admet-835	36	39	were	be	AUX
admet-835	36	40	used	use	VERB
admet-835	36	41	.	.	PUNCT
admet-835	37	1	a	a	DET
admet-835	37	2	researcher	researcher	NOUN
admet-835	37	3	was	be	AUX
admet-835	37	4	permitted	permit	VERB
admet-835	37	5	to	to	PART
admet-835	37	6	submit	submit	VERB
admet-835	37	7	three	three	NUM
admet-835	37	8	predictions	prediction	NOUN
admet-835	37	9	for	for	ADP
admet-835	37	10	each	each	PRON
admet-835	37	11	of	of	ADP
admet-835	37	12	the	the	DET
admet-835	37	13	2019	2019	NUM
admet-835	37	14	solubility	solubility	NOUN
admet-835	37	15	challenge	challenge	NOUN
admet-835	37	16	test	test	NOUN
admet-835	37	17	datasets	dataset	NOUN
admet-835	37	18	.	.	PUNCT
admet-835	38	1	methods	method	NOUN
admet-835	38	2	data	data	VERB
admet-835	38	3	a	a	DET
admet-835	38	4	dataset	dataset	NOUN
admet-835	38	5	of	of	ADP
admet-835	38	6	druglike	druglike	ADJ
admet-835	38	7	organic	organic	ADJ
admet-835	38	8	compounds	compound	NOUN
admet-835	38	9	of	of	ADP
admet-835	38	10	known	know	VERB
admet-835	38	11	intrinsic	intrinsic	ADJ
admet-835	38	12	aqueous	aqueous	ADJ
admet-835	38	13	solubility	solubility	NOUN
admet-835	38	14	was	be	AUX
admet-835	38	15	prepared	prepare	VERB
admet-835	38	16	from	from	ADP
admet-835	38	17	the	the	DET
admet-835	38	18	following	follow	VERB
admet-835	38	19	sources	source	NOUN
admet-835	38	20	:	:	PUNCT
admet-835	38	21	dls-100	dls-100	VERB
admet-835	38	22	[	[	X
admet-835	38	23	27	27	NUM
admet-835	38	24	-	-	SYM
admet-835	38	25	29	29	NUM
admet-835	38	26	]	]	PUNCT
admet-835	38	27	,	,	PUNCT
admet-835	38	28	2008	2008	NUM
admet-835	38	29	solubility	solubility	NOUN
admet-835	38	30	challenge	challenge	NOUN
admet-835	39	1	[	[	X
admet-835	39	2	23,25	23,25	NOUN
admet-835	39	3	]	]	PUNCT
admet-835	39	4	,	,	PUNCT
admet-835	39	5	bergström	bergström	NOUN
admet-835	39	6	et	et	PROPN
admet-835	39	7	al	al	PROPN
admet-835	39	8	.	.	PROPN
admet-835	40	1	(	(	PUNCT
admet-835	40	2	2004	2004	NUM
admet-835	40	3	)	)	PUNCT
admet-835	41	1	[	[	X
admet-835	41	2	30	30	NUM
admet-835	41	3	]	]	PUNCT
admet-835	41	4	,	,	PUNCT
admet-835	41	5	and	and	CCONJ
admet-835	41	6	wassvik	wassvik	NOUN
admet-835	41	7	et	et	PROPN
admet-835	41	8	al	al	PROPN
admet-835	41	9	.	.	PROPN
admet-835	41	10	(	(	PUNCT
admet-835	41	11	2006	2006	NUM
admet-835	41	12	)	)	PUNCT
admet-835	42	1	[	[	X
admet-835	42	2	31	31	NUM
admet-835	42	3	]	]	PUNCT
admet-835	42	4	.	.	PUNCT
admet-835	43	1	this	this	DET
admet-835	43	2	dataset	dataset	NOUN
admet-835	43	3	was	be	AUX
admet-835	43	4	constructed	construct	VERB
admet-835	43	5	on	on	ADP
admet-835	43	6	the	the	DET
admet-835	43	7	principle	principle	NOUN
admet-835	43	8	of	of	ADP
admet-835	43	9	one	one	NUM
admet-835	43	10	trustworthy	trustworthy	ADJ
admet-835	43	11	high	high	ADJ
admet-835	43	12	-	-	PUNCT
admet-835	43	13	quality	quality	NOUN
admet-835	43	14	measurement	measurement	NOUN
admet-835	43	15	per	per	ADP
admet-835	43	16	compound	compound	NOUN
admet-835	43	17	,	,	PUNCT
admet-835	43	18	with	with	ADP
admet-835	43	19	cheqsol	cheqsol	NOUN
admet-835	43	20	[	[	X
admet-835	43	21	24	24	NUM
admet-835	43	22	]	]	ADJ
admet-835	43	23	measurements	measurement	NOUN
admet-835	43	24	preferred	prefer	VERB
admet-835	43	25	where	where	SCONJ
admet-835	43	26	available	available	ADJ
admet-835	43	27	,	,	PUNCT
admet-835	43	28	and	and	CCONJ
admet-835	43	29	shake	shake	VERB
admet-835	43	30	flask	flask	NOUN
admet-835	43	31	data	datum	NOUN
admet-835	43	32	taken	take	VERB
admet-835	43	33	as	as	ADP
admet-835	43	34	the	the	DET
admet-835	43	35	next	next	ADJ
admet-835	43	36	preference	preference	NOUN
admet-835	43	37	.	.	PUNCT
admet-835	44	1	this	this	PRON
admet-835	44	2	differs	differ	VERB
admet-835	44	3	from	from	ADP
admet-835	44	4	the	the	DET
admet-835	44	5	construction	construction	NOUN
admet-835	44	6	of	of	ADP
admet-835	44	7	the	the	DET
admet-835	44	8	test	test	NOUN
admet-835	44	9	datasets	dataset	NOUN
admet-835	44	10	in	in	ADP
admet-835	44	11	the	the	DET
admet-835	44	12	2019	2019	NUM
admet-835	44	13	solubility	solubility	NOUN
admet-835	44	14	challenge	challenge	NOUN
admet-835	44	15	,	,	PUNCT
admet-835	44	16	which	which	PRON
admet-835	44	17	were	be	AUX
admet-835	44	18	compiled	compile	VERB
admet-835	44	19	on	on	ADP
admet-835	44	20	the	the	DET
admet-835	44	21	basis	basis	NOUN
admet-835	44	22	of	of	ADP
admet-835	44	23	inter	inter	ADJ
admet-835	44	24	-	-	ADJ
admet-835	44	25	laboratory	laboratory	ADJ
admet-835	44	26	average	average	ADJ
admet-835	44	27	values	value	NOUN
admet-835	44	28	.	.	PUNCT
admet-835	45	1	in	in	ADP
admet-835	45	2	total	total	NOUN
admet-835	45	3	,	,	PUNCT
admet-835	45	4	the	the	DET
admet-835	45	5	original	original	ADJ
admet-835	45	6	set	set	NOUN
admet-835	45	7	contained	contain	VERB
admet-835	45	8	205	205	NUM
admet-835	45	9	solubility	solubility	NOUN
admet-835	45	10	data	datum	NOUN
admet-835	45	11	points	point	NOUN
admet-835	45	12	.	.	PUNCT
admet-835	46	1	comparison	comparison	NOUN
admet-835	46	2	of	of	ADP
admet-835	46	3	our	our	PRON
admet-835	46	4	data	datum	NOUN
admet-835	46	5	with	with	ADP
admet-835	46	6	the	the	DET
admet-835	46	7	published	publish	VERB
admet-835	46	8	compositions	composition	NOUN
admet-835	46	9	of	of	ADP
admet-835	46	10	the	the	DET
admet-835	46	11	2019	2019	NUM
admet-835	46	12	solubility	solubility	NOUN
admet-835	46	13	challenge	challenge	NOUN
admet-835	46	14	test	test	NOUN
admet-835	46	15	sets	set	NOUN
admet-835	46	16	revealed	reveal	VERB
admet-835	46	17	52	52	NUM
admet-835	46	18	compounds	compound	NOUN
admet-835	46	19	in	in	ADP
admet-835	46	20	common	common	ADJ
admet-835	46	21	.	.	PUNCT
admet-835	47	1	their	their	PRON
admet-835	47	2	removal	removal	NOUN
admet-835	47	3	left	leave	VERB
admet-835	47	4	153	153	NUM
admet-835	47	5	compounds	compound	NOUN
admet-835	47	6	,	,	PUNCT
admet-835	47	7	which	which	PRON
admet-835	47	8	were	be	AUX
admet-835	47	9	divided	divide	VERB
admet-835	47	10	into	into	ADP
admet-835	47	11	a	a	DET
admet-835	47	12	training	training	NOUN
admet-835	47	13	set	set	NOUN
admet-835	47	14	of	of	ADP
admet-835	47	15	117	117	NUM
admet-835	47	16	molecules	molecule	NOUN
admet-835	47	17	and	and	CCONJ
admet-835	47	18	an	an	DET
admet-835	47	19	internal	internal	ADJ
admet-835	47	20	validation	validation	NOUN
admet-835	47	21	set	set	NOUN
admet-835	47	22	of	of	ADP
admet-835	47	23	36	36	NUM
admet-835	47	24	compounds	compound	NOUN
admet-835	47	25	.	.	PUNCT
admet-835	48	1	the	the	DET
admet-835	48	2	internal	internal	ADJ
admet-835	48	3	validation	validation	NOUN
admet-835	48	4	set	set	NOUN
admet-835	48	5	was	be	AUX
admet-835	48	6	to	to	PART
admet-835	48	7	be	be	AUX
admet-835	48	8	used	use	VERB
admet-835	48	9	for	for	ADP
admet-835	48	10	model	model	NOUN
admet-835	48	11	parametrisation	parametrisation	NOUN
admet-835	48	12	and	and	CCONJ
admet-835	48	13	model	model	NOUN
admet-835	48	14	selection	selection	NOUN
admet-835	48	15	.	.	PUNCT
admet-835	49	1	the	the	DET
admet-835	49	2	models	model	NOUN
admet-835	49	3	were	be	AUX
admet-835	49	4	subsequently	subsequently	ADV
admet-835	49	5	to	to	PART
admet-835	49	6	be	be	AUX
admet-835	49	7	tested	test	VERB
admet-835	49	8	on	on	ADP
admet-835	49	9	the	the	DET
admet-835	49	10	100	100	NUM
admet-835	49	11	compound	compound	NOUN
admet-835	49	12	low	low	ADJ
admet-835	49	13	-	-	PUNCT
admet-835	49	14	variance	variance	NOUN
admet-835	49	15	tight	tight	ADJ
admet-835	49	16	test	test	NOUN
admet-835	49	17	set	set	VERB
admet-835	49	18	and	and	CCONJ
admet-835	49	19	the	the	DET
admet-835	49	20	32	32	NUM
admet-835	49	21	compound	compound	NOUN
admet-835	49	22	high	high	ADJ
admet-835	49	23	-	-	PUNCT
admet-835	49	24	variance	variance	NOUN
admet-835	49	25	loose	loose	ADJ
admet-835	49	26	test	test	NOUN
admet-835	49	27	set	set	NOUN
admet-835	49	28	of	of	ADP
admet-835	49	29	the	the	DET
admet-835	49	30	2019	2019	NUM
admet-835	49	31	solubility	solubility	NOUN
admet-835	49	32	challenge	challenge	NOUN
admet-835	49	33	[	[	X
admet-835	49	34	26	26	NUM
admet-835	49	35	]	]	PUNCT
admet-835	49	36	,	,	PUNCT
admet-835	49	37	these	these	DET
admet-835	49	38	sets	set	NOUN
admet-835	49	39	are	be	AUX
admet-835	49	40	respectively	respectively	ADV
admet-835	49	41	detailed	detail	VERB
admet-835	49	42	in	in	ADP
admet-835	49	43	tables	table	NOUN
admet-835	49	44	a1	a1	NOUN
admet-835	49	45	and	and	CCONJ
admet-835	49	46	a2	a2	PROPN
admet-835	49	47	(	(	PUNCT
admet-835	49	48	appendix	appendix	PROPN
admet-835	49	49	)	)	PUNCT
admet-835	49	50	.	.	PUNCT
admet-835	50	1	machine	machine	NOUN
admet-835	50	2	learning	learning	NOUN
admet-835	50	3	models	model	VERB
admet-835	50	4	a	a	DET
admet-835	50	5	number	number	NOUN
admet-835	50	6	of	of	ADP
admet-835	50	7	machine	machine	NOUN
admet-835	50	8	learning	learning	NOUN
admet-835	50	9	methods	method	NOUN
admet-835	50	10	were	be	AUX
admet-835	50	11	used	use	VERB
admet-835	50	12	in	in	ADP
admet-835	50	13	this	this	DET
admet-835	50	14	work	work	NOUN
admet-835	50	15	,	,	PUNCT
admet-835	50	16	all	all	PRON
admet-835	50	17	being	be	AUX
admet-835	50	18	implemented	implement	VERB
admet-835	50	19	in	in	ADP
admet-835	50	20	the	the	DET
admet-835	50	21	r	r	NOUN
admet-835	50	22	programming	programming	NOUN
admet-835	50	23	language	language	NOUN
admet-835	51	1	[	[	X
admet-835	51	2	32	32	NUM
admet-835	51	3	]	]	PUNCT
admet-835	51	4	.	.	PUNCT
admet-835	52	1	admet	admet	PROPN
admet-835	52	2	&	&	CCONJ
admet-835	52	3	dmpk	dmpk	PROPN
admet-835	52	4	8(3	8(3	NUM
admet-835	52	5	)	)	PUNCT
admet-835	52	6	(	(	PUNCT
admet-835	52	7	2020	2020	NUM
admet-835	52	8	)	)	PUNCT
admet-835	52	9	215	215	NUM
admet-835	52	10	-	-	SYM
admet-835	52	11	250	250	NUM
admet-835	52	12	machine	machine	NOUN
admet-835	52	13	learning	learning	NOUN
admet-835	52	14	models	model	NOUN
admet-835	52	15	for	for	ADP
admet-835	52	16	the	the	DET
admet-835	52	17	2019	2019	NUM
admet-835	52	18	solubility	solubility	NOUN
admet-835	52	19	challenge	challenge	NOUN
admet-835	52	20	doi	doi	NOUN
admet-835	52	21	:	:	PUNCT
admet-835	52	22	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	52	23	217	217	NUM
admet-835	52	24	random	random	ADJ
admet-835	52	25	forest	forest	NOUN
admet-835	52	26	random	random	ADJ
admet-835	52	27	forest	forest	NOUN
admet-835	53	1	[	[	X
admet-835	53	2	33,34	33,34	NOUN
admet-835	53	3	]	]	PUNCT
admet-835	53	4	is	be	AUX
admet-835	53	5	,	,	PUNCT
admet-835	53	6	as	as	SCONJ
admet-835	53	7	the	the	DET
admet-835	53	8	name	name	NOUN
admet-835	53	9	suggests	suggest	VERB
admet-835	53	10	,	,	PUNCT
admet-835	53	11	an	an	DET
admet-835	53	12	ensemble	ensemble	NOUN
admet-835	53	13	of	of	ADP
admet-835	53	14	decision	decision	NOUN
admet-835	53	15	tree	tree	NOUN
admet-835	53	16	predictors	predictor	NOUN
admet-835	53	17	.	.	PUNCT
admet-835	54	1	the	the	DET
admet-835	54	2	individual	individual	ADJ
admet-835	54	3	trees	tree	NOUN
admet-835	54	4	are	be	AUX
admet-835	54	5	designed	design	VERB
admet-835	54	6	to	to	PART
admet-835	54	7	be	be	AUX
admet-835	54	8	sufficiently	sufficiently	ADV
admet-835	54	9	stochastically	stochastically	ADV
admet-835	54	10	different	different	ADJ
admet-835	54	11	from	from	ADP
admet-835	54	12	one	one	NUM
admet-835	54	13	another	another	DET
admet-835	54	14	for	for	ADP
admet-835	54	15	the	the	DET
admet-835	54	16	resulting	result	VERB
admet-835	54	17	forest	forest	NOUN
admet-835	54	18	to	to	PART
admet-835	54	19	benefit	benefit	VERB
admet-835	54	20	from	from	ADP
admet-835	54	21	the	the	DET
admet-835	54	22	so	so	ADV
admet-835	54	23	-	-	PUNCT
admet-835	54	24	called	call	VERB
admet-835	54	25	wisdom	wisdom	NOUN
admet-835	54	26	of	of	ADP
admet-835	54	27	crowds	crowd	NOUN
admet-835	54	28	,	,	PUNCT
admet-835	54	29	whereby	whereby	SCONJ
admet-835	54	30	a	a	DET
admet-835	54	31	set	set	NOUN
admet-835	54	32	of	of	ADP
admet-835	54	33	individually	individually	ADV
admet-835	54	34	weak	weak	ADJ
admet-835	54	35	predictors	predictor	NOUN
admet-835	54	36	can	can	AUX
admet-835	54	37	collectively	collectively	ADV
admet-835	54	38	function	function	VERB
admet-835	54	39	as	as	ADP
admet-835	54	40	a	a	DET
admet-835	54	41	much	much	ADV
admet-835	54	42	stronger	strong	ADJ
admet-835	54	43	predictor	predictor	NOUN
admet-835	55	1	[	[	X
admet-835	55	2	35,36	35,36	NUM
admet-835	55	3	]	]	PUNCT
admet-835	55	4	.	.	PUNCT
admet-835	56	1	each	each	DET
admet-835	56	2	tree	tree	NOUN
admet-835	56	3	is	be	AUX
admet-835	56	4	built	build	VERB
admet-835	56	5	from	from	ADP
admet-835	56	6	a	a	DET
admet-835	56	7	sample	sample	NOUN
admet-835	56	8	of	of	ADP
admet-835	56	9	n	n	PRON
admet-835	56	10	out	out	ADP
admet-835	56	11	of	of	ADP
admet-835	56	12	the	the	DET
admet-835	56	13	n	n	CCONJ
admet-835	56	14	available	available	ADJ
admet-835	56	15	data	datum	NOUN
admet-835	56	16	items	item	NOUN
admet-835	56	17	,	,	PUNCT
admet-835	56	18	but	but	CCONJ
admet-835	56	19	chosen	choose	VERB
admet-835	56	20	with	with	ADP
admet-835	56	21	replacement	replacement	NOUN
admet-835	56	22	such	such	ADJ
admet-835	56	23	that	that	SCONJ
admet-835	56	24	items	item	NOUN
admet-835	56	25	may	may	AUX
admet-835	56	26	appear	appear	VERB
admet-835	56	27	multiple	multiple	ADJ
admet-835	56	28	times	time	NOUN
admet-835	56	29	,	,	PUNCT
admet-835	56	30	once	once	ADV
admet-835	56	31	,	,	PUNCT
admet-835	56	32	or	or	CCONJ
admet-835	56	33	not	not	PART
admet-835	56	34	at	at	ADV
admet-835	56	35	all	all	ADV
admet-835	56	36	in	in	ADP
admet-835	56	37	the	the	DET
admet-835	56	38	dataset	dataset	NOUN
admet-835	56	39	used	use	VERB
admet-835	56	40	for	for	ADP
admet-835	56	41	building	build	VERB
admet-835	56	42	a	a	DET
admet-835	56	43	given	give	VERB
admet-835	56	44	tree	tree	NOUN
admet-835	56	45	.	.	PUNCT
admet-835	57	1	a	a	DET
admet-835	57	2	further	further	ADJ
admet-835	57	3	source	source	NOUN
admet-835	57	4	of	of	ADP
admet-835	57	5	randomness	randomness	NOUN
admet-835	57	6	is	be	AUX
admet-835	57	7	that	that	SCONJ
admet-835	57	8	only	only	ADV
admet-835	57	9	a	a	DET
admet-835	57	10	limited	limited	ADJ
admet-835	57	11	selection	selection	NOUN
admet-835	57	12	of	of	ADP
admet-835	57	13	the	the	DET
admet-835	57	14	possible	possible	ADJ
admet-835	57	15	features	feature	NOUN
admet-835	57	16	are	be	AUX
admet-835	57	17	made	make	VERB
admet-835	57	18	available	available	ADJ
admet-835	57	19	to	to	PART
admet-835	57	20	define	define	VERB
admet-835	57	21	the	the	DET
admet-835	57	22	split	split	NOUN
admet-835	57	23	at	at	ADP
admet-835	57	24	each	each	DET
admet-835	57	25	node	node	NOUN
admet-835	57	26	of	of	ADP
admet-835	57	27	the	the	DET
admet-835	57	28	tree	tree	NOUN
admet-835	57	29	;	;	PUNCT
admet-835	57	30	with	with	ADP
admet-835	57	31	the	the	DET
admet-835	57	32	selected	select	VERB
admet-835	57	33	split	split	NOUN
admet-835	57	34	being	be	AUX
admet-835	57	35	chosen	choose	VERB
admet-835	57	36	to	to	PART
admet-835	57	37	be	be	AUX
admet-835	57	38	optimal	optimal	ADJ
admet-835	57	39	amongst	amongst	ADP
admet-835	57	40	those	those	PRON
admet-835	57	41	available	available	ADJ
admet-835	57	42	.	.	PUNCT
admet-835	58	1	for	for	ADP
admet-835	58	2	this	this	DET
admet-835	58	3	study	study	NOUN
admet-835	58	4	,	,	PUNCT
admet-835	58	5	we	we	PRON
admet-835	58	6	used	use	VERB
admet-835	58	7	the	the	DET
admet-835	58	8	randomforest	randomfor	ADJ
admet-835	58	9	package	package	NOUN
admet-835	58	10	in	in	ADP
admet-835	58	11	r	r	NOUN
admet-835	58	12	[	[	X
admet-835	58	13	37	37	NUM
admet-835	58	14	]	]	PUNCT
admet-835	58	15	.	.	PUNCT
admet-835	59	1	here	here	ADV
admet-835	59	2	,	,	PUNCT
admet-835	59	3	the	the	DET
admet-835	59	4	randomforest	randomfor	ADJ
admet-835	59	5	routine	routine	NOUN
admet-835	59	6	was	be	AUX
admet-835	59	7	run	run	VERB
admet-835	59	8	to	to	PART
admet-835	59	9	build	build	VERB
admet-835	59	10	1000	1000	NUM
admet-835	59	11	trees	tree	NOUN
admet-835	59	12	,	,	PUNCT
admet-835	59	13	with	with	ADP
admet-835	59	14	default	default	NOUN
admet-835	59	15	values	value	NOUN
admet-835	59	16	of	of	ADP
admet-835	59	17	all	all	DET
admet-835	59	18	other	other	ADJ
admet-835	59	19	parameters	parameter	NOUN
admet-835	59	20	.	.	PUNCT
admet-835	60	1	bagging	bag	VERB
admet-835	60	2	bagging	bag	VERB
admet-835	60	3	[	[	X
admet-835	60	4	38	38	NUM
admet-835	60	5	]	]	PUNCT
admet-835	60	6	follows	follow	VERB
admet-835	60	7	the	the	DET
admet-835	60	8	above	above	ADJ
admet-835	60	9	description	description	NOUN
admet-835	60	10	of	of	ADP
admet-835	60	11	random	random	ADJ
admet-835	60	12	forest	forest	NOUN
admet-835	60	13	,	,	PUNCT
admet-835	60	14	except	except	SCONJ
admet-835	60	15	that	that	SCONJ
admet-835	60	16	all	all	DET
admet-835	60	17	features	feature	NOUN
admet-835	60	18	are	be	AUX
admet-835	60	19	available	available	ADJ
admet-835	60	20	for	for	ADP
admet-835	60	21	splitting	splitting	NOUN
admet-835	60	22	at	at	ADP
admet-835	60	23	each	each	DET
admet-835	60	24	node	node	NOUN
admet-835	60	25	of	of	ADP
admet-835	60	26	the	the	DET
admet-835	60	27	tree	tree	NOUN
admet-835	60	28	.	.	PUNCT
admet-835	61	1	hence	hence	ADV
admet-835	61	2	it	it	PRON
admet-835	61	3	is	be	AUX
admet-835	61	4	less	less	ADV
admet-835	61	5	random	random	ADJ
admet-835	61	6	and	and	CCONJ
admet-835	61	7	more	more	ADV
admet-835	61	8	orientated	orientated	ADJ
admet-835	61	9	towards	towards	ADP
admet-835	61	10	use	use	NOUN
admet-835	61	11	of	of	ADP
admet-835	61	12	individually	individually	ADV
admet-835	61	13	more	more	ADV
admet-835	61	14	powerful	powerful	ADJ
admet-835	61	15	features	feature	NOUN
admet-835	61	16	than	than	ADP
admet-835	61	17	random	random	ADJ
admet-835	61	18	forest	forest	NOUN
admet-835	61	19	.	.	PUNCT
admet-835	62	1	the	the	DET
admet-835	62	2	individual	individual	ADJ
admet-835	62	3	trees	tree	NOUN
admet-835	62	4	produced	produce	VERB
admet-835	62	5	by	by	ADP
admet-835	62	6	bagging	bagging	NOUN
admet-835	62	7	will	will	AUX
admet-835	62	8	be	be	AUX
admet-835	62	9	more	more	ADV
admet-835	62	10	mutually	mutually	ADV
admet-835	62	11	similar	similar	ADJ
admet-835	62	12	than	than	ADP
admet-835	62	13	those	those	PRON
admet-835	62	14	in	in	ADP
admet-835	62	15	random	random	ADJ
admet-835	62	16	forest	forest	NOUN
admet-835	62	17	.	.	PUNCT
admet-835	63	1	the	the	DET
admet-835	63	2	implementation	implementation	NOUN
admet-835	63	3	of	of	ADP
admet-835	63	4	bagging	bagging	NOUN
admet-835	63	5	in	in	ADP
admet-835	63	6	the	the	DET
admet-835	63	7	ipred	ipred	ADJ
admet-835	63	8	package	package	NOUN
admet-835	63	9	in	in	ADP
admet-835	63	10	r	r	NOUN
admet-835	63	11	was	be	AUX
admet-835	63	12	used	use	VERB
admet-835	63	13	,	,	PUNCT
admet-835	63	14	building	build	VERB
admet-835	63	15	100	100	NUM
admet-835	63	16	trees	tree	NOUN
admet-835	63	17	.	.	PUNCT
admet-835	64	1	extra	extra	ADJ
admet-835	64	2	trees	tree	NOUN
admet-835	64	3	extra	extra	ADJ
admet-835	64	4	trees	tree	NOUN
admet-835	64	5	(	(	PUNCT
admet-835	64	6	extremely	extremely	ADV
admet-835	64	7	randomized	randomized	ADJ
admet-835	64	8	trees	tree	NOUN
admet-835	64	9	,	,	PUNCT
admet-835	64	10	et	et	NOUN
admet-835	64	11	)	)	PUNCT
admet-835	64	12	,	,	PUNCT
admet-835	64	13	is	be	AUX
admet-835	64	14	a	a	DET
admet-835	64	15	variant	variant	NOUN
admet-835	64	16	of	of	ADP
admet-835	64	17	random	random	ADJ
admet-835	64	18	forest	forest	NOUN
admet-835	64	19	that	that	PRON
admet-835	64	20	differs	differ	VERB
admet-835	64	21	in	in	ADP
admet-835	64	22	the	the	DET
admet-835	64	23	following	following	ADJ
admet-835	64	24	ways	way	NOUN
admet-835	64	25	.	.	PUNCT
admet-835	65	1	firstly	firstly	ADV
admet-835	65	2	,	,	PUNCT
admet-835	65	3	the	the	DET
admet-835	65	4	original	original	ADJ
admet-835	65	5	sample	sample	NOUN
admet-835	65	6	of	of	ADP
admet-835	65	7	n	n	PRON
admet-835	65	8	items	item	NOUN
admet-835	65	9	is	be	AUX
admet-835	65	10	used	use	VERB
admet-835	65	11	for	for	ADP
admet-835	65	12	tree	tree	NOUN
admet-835	65	13	building	building	NOUN
admet-835	65	14	,	,	PUNCT
admet-835	65	15	with	with	ADP
admet-835	65	16	no	no	DET
admet-835	65	17	selection	selection	NOUN
admet-835	65	18	process	process	NOUN
admet-835	65	19	.	.	PUNCT
admet-835	66	1	secondly	secondly	ADV
admet-835	66	2	,	,	PUNCT
admet-835	66	3	the	the	DET
admet-835	66	4	split	split	NOUN
admet-835	66	5	at	at	ADP
admet-835	66	6	each	each	DET
admet-835	66	7	node	node	NOUN
admet-835	66	8	,	,	PUNCT
admet-835	66	9	while	while	SCONJ
admet-835	66	10	chosen	choose	VERB
admet-835	66	11	using	use	VERB
admet-835	66	12	a	a	DET
admet-835	66	13	random	random	ADJ
admet-835	66	14	subset	subset	NOUN
admet-835	66	15	of	of	ADP
admet-835	66	16	features	feature	NOUN
admet-835	66	17	,	,	PUNCT
admet-835	66	18	is	be	AUX
admet-835	66	19	not	not	PART
admet-835	66	20	fully	fully	ADV
admet-835	66	21	optimised	optimise	VERB
admet-835	66	22	.	.	PUNCT
admet-835	67	1	instead	instead	ADV
admet-835	67	2	,	,	PUNCT
admet-835	67	3	one	one	NUM
admet-835	67	4	random	random	ADJ
admet-835	67	5	cut	cut	NOUN
admet-835	67	6	-	-	PUNCT
admet-835	67	7	off	off	ADP
admet-835	67	8	point	point	NOUN
admet-835	67	9	is	be	AUX
admet-835	67	10	selected	select	VERB
admet-835	67	11	for	for	ADP
admet-835	67	12	each	each	DET
admet-835	67	13	descriptor	descriptor	NOUN
admet-835	67	14	,	,	PUNCT
admet-835	67	15	with	with	ADP
admet-835	67	16	subsequent	subsequent	ADJ
admet-835	67	17	optimisation	optimisation	NOUN
admet-835	67	18	limited	limit	VERB
admet-835	67	19	to	to	ADP
admet-835	67	20	choosing	choose	VERB
admet-835	67	21	amongst	amongst	ADP
admet-835	67	22	these	these	DET
admet-835	67	23	partitions	partition	NOUN
admet-835	67	24	[	[	X
admet-835	67	25	39	39	NUM
admet-835	67	26	]	]	PUNCT
admet-835	67	27	.	.	PUNCT
admet-835	68	1	the	the	DET
admet-835	68	2	implementation	implementation	NOUN
admet-835	68	3	in	in	ADP
admet-835	68	4	the	the	DET
admet-835	68	5	extratrees	extratree	NOUN
admet-835	68	6	r	r	NOUN
admet-835	68	7	package	package	NOUN
admet-835	68	8	was	be	AUX
admet-835	68	9	used	use	VERB
admet-835	68	10	for	for	ADP
admet-835	68	11	this	this	DET
admet-835	68	12	solubility	solubility	NOUN
admet-835	68	13	prediction	prediction	NOUN
admet-835	68	14	project	project	NOUN
admet-835	68	15	.	.	PUNCT
admet-835	69	1	default	default	NOUN
admet-835	69	2	values	value	NOUN
admet-835	69	3	of	of	ADP
admet-835	69	4	all	all	DET
admet-835	69	5	parameters	parameter	NOUN
admet-835	69	6	in	in	ADP
admet-835	69	7	the	the	DET
admet-835	69	8	extratrees	extratree	NOUN
admet-835	69	9	package	package	NOUN
admet-835	69	10	were	be	AUX
admet-835	69	11	used	use	VERB
admet-835	69	12	,	,	PUNCT
admet-835	69	13	thus	thus	ADV
admet-835	69	14	500	500	NUM
admet-835	69	15	trees	tree	NOUN
admet-835	69	16	were	be	AUX
admet-835	69	17	created	create	VERB
admet-835	69	18	.	.	PUNCT
admet-835	70	1	relevance	relevance	NOUN
admet-835	70	2	vector	vector	NOUN
admet-835	70	3	machine	machine	NOUN
admet-835	70	4	relevance	relevance	NOUN
admet-835	70	5	vector	vector	NOUN
admet-835	70	6	machine	machine	NOUN
admet-835	70	7	(	(	PUNCT
admet-835	70	8	rvm	rvm	PROPN
admet-835	70	9	)	)	PUNCT
admet-835	71	1	[	[	X
admet-835	71	2	40	40	NUM
admet-835	71	3	]	]	PUNCT
admet-835	71	4	is	be	AUX
admet-835	71	5	a	a	DET
admet-835	71	6	bayesian	bayesian	NOUN
admet-835	71	7	kernel	kernel	NOUN
admet-835	71	8	-	-	PUNCT
admet-835	71	9	based	base	VERB
admet-835	71	10	method	method	NOUN
admet-835	71	11	often	often	ADV
admet-835	71	12	used	use	VERB
admet-835	71	13	for	for	ADP
admet-835	71	14	classification	classification	NOUN
admet-835	71	15	,	,	PUNCT
admet-835	71	16	but	but	CCONJ
admet-835	71	17	adapted	adapt	VERB
admet-835	71	18	also	also	ADV
admet-835	71	19	for	for	ADP
admet-835	71	20	regression	regression	NOUN
admet-835	71	21	.	.	PUNCT
admet-835	72	1	it	it	PRON
admet-835	72	2	has	have	VERB
admet-835	72	3	close	close	ADJ
admet-835	72	4	similarities	similarity	NOUN
admet-835	72	5	to	to	PART
admet-835	72	6	both	both	CCONJ
admet-835	72	7	support	support	VERB
admet-835	72	8	vector	vector	NOUN
admet-835	72	9	machine	machine	NOUN
admet-835	72	10	(	(	PUNCT
admet-835	72	11	svm	svm	PROPN
admet-835	72	12	)	)	PUNCT
admet-835	72	13	and	and	CCONJ
admet-835	72	14	gaussian	gaussian	ADJ
admet-835	72	15	process	process	NOUN
admet-835	72	16	algorithms	algorithm	NOUN
admet-835	72	17	.	.	PUNCT
admet-835	73	1	compared	compare	VERB
admet-835	73	2	to	to	ADP
admet-835	73	3	svm	svm	VERB
admet-835	73	4	,	,	PUNCT
admet-835	73	5	instead	instead	ADV
admet-835	73	6	of	of	ADP
admet-835	73	7	support	support	NOUN
admet-835	73	8	vectors	vector	NOUN
admet-835	73	9	rvm	rvm	NOUN
admet-835	73	10	uses	use	VERB
admet-835	73	11	relevance	relevance	NOUN
admet-835	73	12	vectors	vector	NOUN
admet-835	73	13	–	–	PUNCT
admet-835	73	14	based	base	VERB
admet-835	73	15	on	on	ADP
admet-835	73	16	typical	typical	ADJ
admet-835	73	17	representative	representative	ADJ
admet-835	73	18	members	member	NOUN
admet-835	73	19	of	of	ADP
admet-835	73	20	each	each	DET
admet-835	73	21	class	class	NOUN
admet-835	73	22	.	.	PUNCT
admet-835	74	1	for	for	ADP
admet-835	74	2	regression	regression	NOUN
admet-835	74	3	problems	problem	NOUN
admet-835	74	4	such	such	ADJ
admet-835	74	5	as	as	ADP
admet-835	74	6	this	this	PRON
admet-835	74	7	,	,	PUNCT
admet-835	74	8	the	the	DET
admet-835	74	9	classification	classification	NOUN
admet-835	74	10	boundary	boundary	NOUN
admet-835	74	11	is	be	AUX
admet-835	74	12	reimagined	reimagine	VERB
admet-835	74	13	as	as	ADP
admet-835	74	14	a	a	DET
admet-835	74	15	regression	regression	NOUN
admet-835	74	16	line	line	NOUN
admet-835	74	17	,	,	PUNCT
admet-835	74	18	or	or	CCONJ
admet-835	74	19	hyperplane	hyperplane	NOUN
admet-835	74	20	.	.	PUNCT
admet-835	75	1	we	we	PRON
admet-835	75	2	used	use	VERB
admet-835	75	3	the	the	DET
admet-835	75	4	implementation	implementation	NOUN
admet-835	75	5	in	in	ADP
admet-835	75	6	the	the	DET
admet-835	75	7	kernlab	kernlab	PROPN
admet-835	75	8	package	package	NOUN
admet-835	75	9	in	in	ADP
admet-835	75	10	r	r	NOUN
admet-835	75	11	with	with	ADP
admet-835	75	12	the	the	DET
admet-835	75	13	radial	radial	ADJ
admet-835	75	14	basis	basis	NOUN
admet-835	75	15	function	function	NOUN
admet-835	75	16	kernel	kernel	NOUN
admet-835	75	17	and	and	CCONJ
admet-835	75	18	the	the	DET
admet-835	75	19	number	number	NOUN
admet-835	75	20	of	of	ADP
admet-835	75	21	iterations	iteration	NOUN
admet-835	75	22	set	set	VERB
admet-835	75	23	to	to	ADP
admet-835	75	24	100	100	NUM
admet-835	75	25	.	.	PUNCT
admet-835	76	1	k	k	X
admet-835	76	2	-	-	PUNCT
admet-835	76	3	nearest	near	ADJ
admet-835	76	4	neighbours	neighbour	NOUN
admet-835	76	5	k	k	ADV
admet-835	76	6	-	-	PUNCT
admet-835	76	7	nearest	near	ADJ
admet-835	76	8	neighbours	neighbour	NOUN
admet-835	76	9	(	(	PUNCT
admet-835	76	10	knn	knn	PROPN
admet-835	76	11	)	)	PUNCT
admet-835	76	12	is	be	AUX
admet-835	76	13	perhaps	perhaps	ADV
admet-835	76	14	the	the	DET
admet-835	76	15	simplest	simplest	NOUN
admet-835	76	16	of	of	ADP
admet-835	76	17	all	all	DET
admet-835	76	18	ml	ml	NOUN
admet-835	76	19	algorithms	algorithm	NOUN
admet-835	76	20	.	.	PUNCT
admet-835	77	1	its	its	PRON
admet-835	77	2	predictions	prediction	NOUN
admet-835	77	3	are	be	AUX
admet-835	77	4	based	base	VERB
admet-835	77	5	on	on	ADP
admet-835	77	6	the	the	DET
admet-835	77	7	distances	distance	NOUN
admet-835	77	8	between	between	ADP
admet-835	77	9	a	a	DET
admet-835	77	10	query	query	NOUN
admet-835	77	11	item	item	NOUN
admet-835	77	12	in	in	ADP
admet-835	77	13	the	the	DET
admet-835	77	14	test	test	NOUN
admet-835	77	15	set	set	VERB
admet-835	77	16	and	and	CCONJ
admet-835	77	17	its	its	PRON
admet-835	77	18	near	near	ADJ
admet-835	77	19	neighbours	neighbour	NOUN
admet-835	77	20	in	in	ADP
admet-835	77	21	the	the	DET
admet-835	77	22	training	training	NOUN
admet-835	77	23	set	set	NOUN
admet-835	77	24	.	.	PUNCT
admet-835	78	1	distances	distance	NOUN
admet-835	78	2	are	be	AUX
admet-835	78	3	calculated	calculate	VERB
admet-835	78	4	in	in	ADP
admet-835	78	5	the	the	DET
admet-835	78	6	feature	feature	NOUN
admet-835	78	7	space	space	NOUN
admet-835	78	8	,	,	PUNCT
admet-835	78	9	which	which	PRON
admet-835	78	10	requires	require	VERB
admet-835	78	11	that	that	SCONJ
admet-835	78	12	descriptors	descriptor	NOUN
admet-835	78	13	should	should	AUX
admet-835	78	14	be	be	AUX
admet-835	78	15	scaled	scale	VERB
admet-835	78	16	such	such	ADJ
admet-835	78	17	that	that	SCONJ
admet-835	78	18	each	each	DET
admet-835	78	19	dimension	dimension	NOUN
admet-835	78	20	of	of	ADP
admet-835	78	21	the	the	DET
admet-835	78	22	chemical	chemical	NOUN
admet-835	78	23	space	space	NOUN
admet-835	78	24	contributes	contribute	VERB
admet-835	78	25	fairly	fairly	ADV
admet-835	78	26	to	to	ADP
admet-835	78	27	the	the	DET
admet-835	78	28	computed	computed	ADJ
admet-835	78	29	distances	distance	NOUN
admet-835	78	30	.	.	PUNCT
admet-835	79	1	for	for	ADP
admet-835	79	2	regression	regression	NOUN
admet-835	79	3	,	,	PUNCT
admet-835	79	4	the	the	DET
admet-835	79	5	prediction	prediction	NOUN
admet-835	79	6	for	for	ADP
admet-835	79	7	a	a	DET
admet-835	79	8	given	give	VERB
admet-835	79	9	query	query	NOUN
admet-835	79	10	item	item	NOUN
admet-835	79	11	is	be	AUX
admet-835	79	12	based	base	VERB
admet-835	79	13	on	on	ADP
admet-835	79	14	the	the	DET
admet-835	79	15	average	average	ADJ
admet-835	79	16	property	property	NOUN
admet-835	79	17	value	value	NOUN
admet-835	79	18	(	(	PUNCT
admet-835	79	19	solubility	solubility	NOUN
admet-835	79	20	)	)	PUNCT
admet-835	79	21	of	of	ADP
admet-835	79	22	its	its	PRON
admet-835	79	23	k	k	PROPN
admet-835	79	24	closest	close	ADJ
admet-835	79	25	neighbours	neighbour	NOUN
admet-835	79	26	in	in	ADP
admet-835	79	27	the	the	DET
admet-835	79	28	training	training	NOUN
admet-835	79	29	set	set	NOUN
admet-835	79	30	’s	’s	PART
admet-835	79	31	scaled	scale	VERB
admet-835	79	32	feature	feature	NOUN
admet-835	79	33	space	space	NOUN
admet-835	79	34	.	.	PUNCT
admet-835	80	1	thus	thus	ADV
admet-835	80	2	if	if	SCONJ
admet-835	80	3	k	k	PROPN
admet-835	80	4	=	=	SYM
admet-835	80	5	4	4	NUM
admet-835	80	6	,	,	PUNCT
admet-835	80	7	the	the	DET
admet-835	80	8	simplest	simple	ADJ
admet-835	80	9	knn	knn	PROPN
admet-835	80	10	algorithm	algorithm	PROPN
admet-835	80	11	returns	return	VERB
admet-835	80	12	the	the	DET
admet-835	80	13	average	average	NOUN
admet-835	80	14	of	of	ADP
admet-835	80	15	the	the	DET
admet-835	80	16	log	log	NOUN
admet-835	80	17	s	s	NOUN
admet-835	80	18	values	value	NOUN
admet-835	80	19	of	of	ADP
admet-835	80	20	the	the	DET
admet-835	80	21	four	four	NUM
admet-835	80	22	closest	close	ADJ
admet-835	80	23	training	training	NOUN
admet-835	80	24	compounds	compound	NOUN
admet-835	80	25	to	to	ADP
admet-835	80	26	the	the	DET
admet-835	80	27	query	query	NOUN
admet-835	80	28	.	.	PUNCT
admet-835	81	1	the	the	DET
admet-835	81	2	contributions	contribution	NOUN
admet-835	81	3	can	can	AUX
admet-835	81	4	alternatively	alternatively	ADV
admet-835	81	5	be	be	AUX
admet-835	81	6	biased	bias	VERB
admet-835	81	7	towards	towards	ADP
admet-835	81	8	closer	close	ADJ
admet-835	81	9	neighbours	neighbour	NOUN
admet-835	81	10	if	if	SCONJ
admet-835	81	11	an	an	DET
admet-835	81	12	exponential	exponential	ADJ
admet-835	81	13	distance	distance	NOUN
admet-835	81	14	-	-	PUNCT
admet-835	81	15	based	base	VERB
admet-835	81	16	weighting	weighting	NOUN
admet-835	81	17	scheme	scheme	NOUN
admet-835	81	18	is	be	AUX
admet-835	81	19	used	use	VERB
admet-835	81	20	[	[	PUNCT
admet-835	81	21	20	20	NUM
admet-835	81	22	]	]	PUNCT
admet-835	81	23	,	,	PUNCT
admet-835	81	24	rather	rather	ADV
admet-835	81	25	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	VERB
admet-835	81	26	john	john	PROPN
admet-835	81	27	b.	b.	PROPN
admet-835	81	28	o.	o.	PROPN
admet-835	81	29	mitchell	mitchell	PROPN
admet-835	81	30	admet	admet	PROPN
admet-835	81	31	&	&	CCONJ
admet-835	81	32	dmpk	dmpk	PROPN
admet-835	81	33	8(3	8(3	NUM
admet-835	81	34	)	)	PUNCT
admet-835	81	35	(	(	PUNCT
admet-835	81	36	2020	2020	NUM
admet-835	81	37	)	)	PUNCT
admet-835	81	38	215	215	NUM
admet-835	81	39	-	-	SYM
admet-835	81	40	250	250	NUM
admet-835	81	41	218	218	NUM
admet-835	81	42	than	than	ADP
admet-835	81	43	a	a	DET
admet-835	81	44	simple	simple	ADJ
admet-835	81	45	mean	mean	NOUN
admet-835	81	46	.	.	PUNCT
admet-835	82	1	for	for	ADP
admet-835	82	2	this	this	DET
admet-835	82	3	project	project	NOUN
admet-835	82	4	,	,	PUNCT
admet-835	82	5	we	we	PRON
admet-835	82	6	looked	look	VERB
admet-835	82	7	at	at	ADP
admet-835	82	8	both	both	CCONJ
admet-835	82	9	simple	simple	ADJ
admet-835	82	10	and	and	CCONJ
admet-835	82	11	exponentially	exponentially	ADV
admet-835	82	12	weighted	weight	VERB
admet-835	82	13	versions	version	NOUN
admet-835	82	14	of	of	ADP
admet-835	82	15	knn	knn	PROPN
admet-835	82	16	,	,	PUNCT
admet-835	82	17	and	and	CCONJ
admet-835	82	18	in	in	ADP
admet-835	82	19	each	each	DET
admet-835	82	20	case	case	NOUN
admet-835	82	21	at	at	ADP
admet-835	82	22	measures	measure	NOUN
admet-835	82	23	based	base	VERB
admet-835	82	24	on	on	ADP
admet-835	82	25	either	either	CCONJ
admet-835	82	26	euclidean	euclidean	ADJ
admet-835	82	27	or	or	CCONJ
admet-835	82	28	manhattan	manhattan	PROPN
admet-835	82	29	distances	distance	NOUN
admet-835	82	30	.	.	PUNCT
admet-835	83	1	thus	thus	ADV
admet-835	83	2	,	,	PUNCT
admet-835	83	3	we	we	PRON
admet-835	83	4	trialled	trialle	VERB
admet-835	83	5	four	four	NUM
admet-835	83	6	different	different	ADJ
admet-835	83	7	variants	variant	NOUN
admet-835	83	8	of	of	ADP
admet-835	83	9	the	the	DET
admet-835	83	10	knn	knn	PROPN
admet-835	83	11	algorithm	algorithm	PROPN
admet-835	83	12	,	,	PUNCT
admet-835	83	13	and	and	CCONJ
admet-835	83	14	considered	consider	VERB
admet-835	83	15	values	value	NOUN
admet-835	83	16	of	of	ADP
admet-835	83	17	the	the	DET
admet-835	83	18	parameter	parameter	NOUN
admet-835	83	19	k	k	PROPN
admet-835	83	20	from	from	ADP
admet-835	83	21	k	k	PROPN
admet-835	83	22	=	=	SYM
admet-835	83	23	2	2	NUM
admet-835	83	24	to	to	ADP
admet-835	83	25	k	k	X
admet-835	83	26	=	=	NOUN
admet-835	83	27	8	8	X
admet-835	83	28	.	.	PUNCT
admet-835	84	1	for	for	ADP
admet-835	84	2	each	each	PRON
admet-835	84	3	of	of	ADP
admet-835	84	4	these	these	DET
admet-835	84	5	four	four	NUM
admet-835	84	6	variants	variant	NOUN
admet-835	84	7	,	,	PUNCT
admet-835	84	8	the	the	DET
admet-835	84	9	optimum	optimum	ADJ
admet-835	84	10	value	value	NOUN
admet-835	84	11	of	of	ADP
admet-835	84	12	k	k	PROPN
admet-835	84	13	was	be	AUX
admet-835	84	14	determined	determine	VERB
admet-835	84	15	by	by	ADP
admet-835	84	16	leave	leave	VERB
admet-835	84	17	-	-	PUNCT
admet-835	84	18	one	one	NUM
admet-835	84	19	-	-	PUNCT
admet-835	84	20	out	out	ADP
admet-835	84	21	cross	cross	NOUN
admet-835	84	22	-	-	ADJ
admet-835	84	23	validation	validation	ADJ
admet-835	84	24	(	(	PUNCT
admet-835	84	25	loocv	loocv	NOUN
admet-835	84	26	)	)	PUNCT
admet-835	84	27	within	within	ADP
admet-835	84	28	the	the	DET
admet-835	84	29	training	training	NOUN
admet-835	84	30	set	set	NOUN
admet-835	84	31	.	.	PUNCT
admet-835	85	1	each	each	PRON
admet-835	85	2	of	of	ADP
admet-835	85	3	the	the	DET
admet-835	85	4	four	four	NUM
admet-835	85	5	variants	variant	NOUN
admet-835	85	6	was	be	AUX
admet-835	85	7	run	run	VERB
admet-835	85	8	on	on	ADP
admet-835	85	9	the	the	DET
admet-835	85	10	internal	internal	ADJ
admet-835	85	11	validation	validation	NOUN
admet-835	85	12	set	set	VERB
admet-835	85	13	with	with	ADP
admet-835	85	14	its	its	PRON
admet-835	85	15	own	own	ADJ
admet-835	85	16	optimised	optimise	VERB
admet-835	85	17	k.	k.	NOUN
admet-835	85	18	implementation	implementation	NOUN
admet-835	85	19	of	of	ADP
admet-835	85	20	all	all	DET
admet-835	85	21	four	four	NUM
admet-835	85	22	knn	knn	NOUN
admet-835	85	23	variants	variant	NOUN
admet-835	85	24	was	be	AUX
admet-835	85	25	via	via	ADP
admet-835	85	26	the	the	DET
admet-835	85	27	kernelknn	kernelknn	NOUN
admet-835	85	28	package	package	NOUN
admet-835	85	29	in	in	ADP
admet-835	85	30	r	r	NOUN
admet-835	85	31	[	[	X
admet-835	85	32	32,41	32,41	NUM
admet-835	85	33	]	]	PUNCT
admet-835	85	34	.	.	PUNCT
admet-835	86	1	multilayer	multilayer	PROPN
admet-835	86	2	perceptron	perceptron	PROPN
admet-835	86	3	the	the	DET
admet-835	86	4	multilayer	multilayer	PROPN
admet-835	86	5	perceptron	perceptron	PROPN
admet-835	86	6	(	(	PUNCT
admet-835	86	7	mlp	mlp	PROPN
admet-835	86	8	)	)	PUNCT
admet-835	86	9	is	be	AUX
admet-835	86	10	a	a	DET
admet-835	86	11	feed	feed	NOUN
admet-835	86	12	-	-	PUNCT
admet-835	86	13	forward	forward	ADV
admet-835	86	14	neural	neural	ADJ
admet-835	86	15	network	network	NOUN
admet-835	86	16	,	,	PUNCT
admet-835	86	17	of	of	ADP
admet-835	86	18	a	a	DET
admet-835	86	19	kind	kind	NOUN
admet-835	86	20	which	which	PRON
admet-835	86	21	we	we	PRON
admet-835	86	22	previously	previously	ADV
admet-835	86	23	found	find	VERB
admet-835	86	24	to	to	PART
admet-835	86	25	be	be	AUX
admet-835	86	26	the	the	DET
admet-835	86	27	most	most	ADV
admet-835	86	28	effective	effective	ADJ
admet-835	86	29	single	single	ADJ
admet-835	86	30	ml	ml	NOUN
admet-835	86	31	method	method	NOUN
admet-835	86	32	in	in	ADP
admet-835	86	33	an	an	DET
admet-835	86	34	earlier	early	ADJ
admet-835	86	35	solubility	solubility	NOUN
admet-835	86	36	prediction	prediction	NOUN
admet-835	86	37	study	study	NOUN
admet-835	86	38	using	use	VERB
admet-835	86	39	the	the	DET
admet-835	86	40	dls-100	dls-100	NOUN
admet-835	86	41	dataset	dataset	NOUN
admet-835	87	1	[	[	X
admet-835	87	2	28,29	28,29	NUM
admet-835	87	3	]	]	PUNCT
admet-835	87	4	.	.	PUNCT
admet-835	88	1	we	we	PRON
admet-835	88	2	used	use	VERB
admet-835	88	3	the	the	DET
admet-835	88	4	rsnns	rsnns	ADJ
admet-835	88	5	package	package	NOUN
admet-835	88	6	in	in	ADP
admet-835	88	7	r	r	NOUN
admet-835	88	8	[	[	X
admet-835	88	9	32,42	32,42	NUM
admet-835	88	10	]	]	PUNCT
admet-835	88	11	,	,	PUNCT
admet-835	88	12	with	with	ADP
admet-835	88	13	descriptors	descriptor	NOUN
admet-835	88	14	scaled	scale	VERB
admet-835	88	15	onto	onto	ADP
admet-835	88	16	the	the	DET
admet-835	88	17	range	range	NOUN
admet-835	88	18	zero	zero	NUM
admet-835	88	19	to	to	ADP
admet-835	88	20	one	one	NUM
admet-835	88	21	as	as	ADP
admet-835	88	22	for	for	ADP
admet-835	88	23	the	the	DET
admet-835	88	24	knn	knn	PROPN
admet-835	88	25	methodology	methodology	PROPN
admet-835	88	26	.	.	PUNCT
admet-835	89	1	for	for	ADP
admet-835	89	2	mlp	mlp	PROPN
admet-835	89	3	only	only	ADV
admet-835	89	4	,	,	PUNCT
admet-835	89	5	we	we	PRON
admet-835	89	6	similarly	similarly	ADV
admet-835	89	7	scaled	scale	VERB
admet-835	89	8	the	the	DET
admet-835	89	9	log	log	NOUN
admet-835	89	10	s	s	NOUN
admet-835	89	11	values	value	NOUN
admet-835	89	12	onto	onto	ADP
admet-835	89	13	the	the	DET
admet-835	89	14	range	range	NOUN
admet-835	89	15	between	between	ADP
admet-835	89	16	zero	zero	NUM
admet-835	89	17	and	and	CCONJ
admet-835	89	18	one	one	NUM
admet-835	89	19	.	.	PUNCT
admet-835	90	1	vox	vox	PROPN
admet-835	90	2	machinarum	machinarum	PROPN
admet-835	90	3	we	we	PRON
admet-835	90	4	have	have	AUX
admet-835	90	5	already	already	ADV
admet-835	90	6	observed	observe	VERB
admet-835	90	7	that	that	SCONJ
admet-835	90	8	ensembles	ensemble	NOUN
admet-835	90	9	of	of	ADP
admet-835	90	10	predictors	predictor	NOUN
admet-835	90	11	benefit	benefit	VERB
admet-835	90	12	from	from	ADP
admet-835	90	13	a	a	DET
admet-835	90	14	wisdom	wisdom	NOUN
admet-835	90	15	of	of	ADP
admet-835	90	16	crowds	crowd	NOUN
admet-835	90	17	effect	effect	VERB
admet-835	90	18	[	[	X
admet-835	90	19	35	35	NUM
admet-835	90	20	,	,	PUNCT
admet-835	90	21	36	36	NUM
admet-835	90	22	]	]	PUNCT
admet-835	90	23	,	,	PUNCT
admet-835	90	24	with	with	ADP
admet-835	90	25	a	a	DET
admet-835	90	26	number	number	NOUN
admet-835	90	27	of	of	ADP
admet-835	90	28	weaker	weak	ADJ
admet-835	90	29	predictors	predictor	NOUN
admet-835	90	30	being	be	AUX
admet-835	90	31	combined	combine	VERB
admet-835	90	32	to	to	PART
admet-835	90	33	form	form	VERB
admet-835	90	34	a	a	DET
admet-835	90	35	stronger	strong	ADJ
admet-835	90	36	predictive	predictive	ADJ
admet-835	90	37	model	model	NOUN
admet-835	90	38	.	.	PUNCT
admet-835	91	1	we	we	PRON
admet-835	91	2	used	use	VERB
admet-835	91	3	this	this	DET
admet-835	91	4	idea	idea	NOUN
admet-835	91	5	to	to	PART
admet-835	91	6	construct	construct	VERB
admet-835	91	7	a	a	DET
admet-835	91	8	consensus	consensus	NOUN
admet-835	91	9	of	of	ADP
admet-835	91	10	ml	ml	NOUN
admet-835	91	11	models	model	NOUN
admet-835	91	12	in	in	ADP
admet-835	91	13	boobier	boobier	NOUN
admet-835	91	14	et	et	PROPN
admet-835	91	15	al	al	PROPN
admet-835	91	16	.	.	PUNCT
admet-835	92	1	[	[	X
admet-835	92	2	28	28	NUM
admet-835	92	3	]	]	PUNCT
admet-835	92	4	,	,	PUNCT
admet-835	92	5	which	which	PRON
admet-835	92	6	we	we	PRON
admet-835	92	7	compared	compare	VERB
admet-835	92	8	in	in	ADP
admet-835	92	9	that	that	DET
admet-835	92	10	paper	paper	NOUN
admet-835	92	11	with	with	ADP
admet-835	92	12	a	a	DET
admet-835	92	13	galton	galton	NOUN
admet-835	92	14	-	-	PUNCT
admet-835	92	15	style	style	NOUN
admet-835	92	16	consensus	consensus	NOUN
admet-835	92	17	of	of	ADP
admet-835	92	18	human	human	ADJ
admet-835	92	19	predictors	predictor	NOUN
admet-835	92	20	.	.	PUNCT
admet-835	93	1	here	here	ADV
admet-835	93	2	,	,	PUNCT
admet-835	93	3	such	such	DET
admet-835	93	4	a	a	DET
admet-835	93	5	consensus	consensus	NOUN
admet-835	93	6	ml	ml	X
admet-835	93	7	model	model	NOUN
admet-835	93	8	is	be	AUX
admet-835	93	9	given	give	VERB
admet-835	93	10	the	the	DET
admet-835	93	11	name	name	NOUN
admet-835	93	12	vox	vox	PROPN
admet-835	93	13	machinarum	machinarum	PROPN
admet-835	93	14	,	,	PUNCT
admet-835	93	15	chosen	choose	VERB
admet-835	93	16	to	to	PART
admet-835	93	17	echo	echo	VERB
admet-835	93	18	the	the	DET
admet-835	93	19	title	title	NOUN
admet-835	93	20	of	of	ADP
admet-835	93	21	galton	galton	PROPN
admet-835	93	22	’s	’s	PART
admet-835	93	23	paper	paper	NOUN
admet-835	93	24	vox	vox	PROPN
admet-835	93	25	populi	populi	PROPN
admet-835	93	26	.	.	PUNCT
admet-835	94	1	[	[	X
admet-835	94	2	35	35	NUM
admet-835	94	3	]	]	PUNCT
admet-835	94	4	the	the	DET
admet-835	94	5	vox	vox	PROPN
admet-835	94	6	machinarum	machinarum	PROPN
admet-835	94	7	(	(	PUNCT
admet-835	94	8	vm	vm	NOUN
admet-835	94	9	)	)	PUNCT
admet-835	94	10	model	model	NOUN
admet-835	94	11	consists	consist	VERB
admet-835	94	12	of	of	ADP
admet-835	94	13	the	the	DET
admet-835	94	14	median	median	NOUN
admet-835	94	15	of	of	ADP
admet-835	94	16	some	some	DET
admet-835	94	17	number	number	NOUN
admet-835	94	18	of	of	ADP
admet-835	94	19	ml	ml	NOUN
admet-835	94	20	predictions	prediction	NOUN
admet-835	94	21	for	for	ADP
admet-835	94	22	each	each	DET
admet-835	94	23	test	test	NOUN
admet-835	94	24	compound	compound	NOUN
admet-835	94	25	.	.	PUNCT
admet-835	95	1	the	the	DET
admet-835	95	2	choice	choice	NOUN
admet-835	95	3	and	and	CCONJ
admet-835	95	4	number	number	NOUN
admet-835	95	5	of	of	ADP
admet-835	95	6	ml	ml	NOUN
admet-835	95	7	predictors	predictor	NOUN
admet-835	95	8	used	use	VERB
admet-835	95	9	are	be	AUX
admet-835	95	10	optimised	optimise	VERB
admet-835	95	11	using	use	VERB
admet-835	95	12	the	the	DET
admet-835	95	13	internal	internal	ADJ
admet-835	95	14	validation	validation	NOUN
admet-835	95	15	set	set	NOUN
admet-835	95	16	.	.	PUNCT
admet-835	96	1	possible	possible	ADJ
admet-835	96	2	definitions	definition	NOUN
admet-835	96	3	using	use	VERB
admet-835	96	4	three	three	NUM
admet-835	96	5	,	,	PUNCT
admet-835	96	6	five	five	NUM
admet-835	96	7	,	,	PUNCT
admet-835	96	8	seven	seven	NUM
admet-835	96	9	and	and	CCONJ
admet-835	96	10	nine	nine	NUM
admet-835	96	11	other	other	ADJ
admet-835	96	12	machine	machine	NOUN
admet-835	96	13	learning	learn	VERB
admet-835	96	14	predictions	prediction	NOUN
admet-835	96	15	for	for	ADP
admet-835	96	16	each	each	DET
admet-835	96	17	compound	compound	NOUN
admet-835	96	18	were	be	AUX
admet-835	96	19	considered	consider	VERB
admet-835	96	20	,	,	PUNCT
admet-835	96	21	each	each	PRON
admet-835	96	22	of	of	ADP
admet-835	96	23	these	these	PRON
admet-835	96	24	being	be	AUX
admet-835	96	25	implemented	implement	VERB
admet-835	96	26	on	on	ADP
admet-835	96	27	the	the	DET
admet-835	96	28	test	test	NOUN
admet-835	96	29	set	set	VERB
admet-835	96	30	.	.	PUNCT
admet-835	97	1	descriptors	descriptor	NOUN
admet-835	97	2	we	we	PRON
admet-835	97	3	calculated	calculate	VERB
admet-835	97	4	cdk	cdk	NOUN
admet-835	97	5	descriptors	descriptor	NOUN
admet-835	97	6	[	[	X
admet-835	97	7	43	43	NUM
admet-835	97	8	]	]	PUNCT
admet-835	97	9	for	for	ADP
admet-835	97	10	the	the	DET
admet-835	97	11	training	training	NOUN
admet-835	97	12	set	set	NOUN
admet-835	97	13	,	,	PUNCT
admet-835	97	14	internal	internal	ADJ
admet-835	97	15	validation	validation	NOUN
admet-835	97	16	set	set	NOUN
admet-835	97	17	,	,	PUNCT
admet-835	97	18	and	and	CCONJ
admet-835	97	19	for	for	ADP
admet-835	97	20	both	both	DET
admet-835	97	21	2019	2019	NUM
admet-835	97	22	solubility	solubility	NOUN
admet-835	97	23	challenge	challenge	NOUN
admet-835	97	24	test	test	NOUN
admet-835	97	25	sets	set	NOUN
admet-835	97	26	.	.	PUNCT
admet-835	98	1	any	any	DET
admet-835	98	2	descriptor	descriptor	NOUN
admet-835	98	3	that	that	PRON
admet-835	98	4	had	have	VERB
admet-835	98	5	an	an	DET
admet-835	98	6	undefined	undefined	ADJ
admet-835	98	7	value	value	NOUN
admet-835	98	8	for	for	ADP
admet-835	98	9	any	any	DET
admet-835	98	10	compound	compound	NOUN
admet-835	98	11	was	be	AUX
admet-835	98	12	removed	remove	VERB
admet-835	98	13	from	from	ADP
admet-835	98	14	the	the	DET
admet-835	98	15	set	set	NOUN
admet-835	98	16	,	,	PUNCT
admet-835	98	17	as	as	SCONJ
admet-835	98	18	were	be	AUX
admet-835	98	19	all	all	DET
admet-835	98	20	zero	zero	NUM
admet-835	98	21	variance	variance	NOUN
admet-835	98	22	features	feature	NOUN
admet-835	98	23	.	.	PUNCT
admet-835	99	1	this	this	PRON
admet-835	99	2	resulted	result	VERB
admet-835	99	3	in	in	ADP
admet-835	99	4	a	a	DET
admet-835	99	5	total	total	NOUN
admet-835	99	6	of	of	ADP
admet-835	99	7	173	173	NUM
admet-835	99	8	usable	usable	ADJ
admet-835	99	9	descriptors	descriptor	NOUN
admet-835	99	10	for	for	ADP
admet-835	99	11	each	each	DET
admet-835	99	12	compound	compound	NOUN
admet-835	99	13	.	.	PUNCT
admet-835	100	1	we	we	PRON
admet-835	100	2	used	use	VERB
admet-835	100	3	the	the	DET
admet-835	100	4	randomforest	randomfor	ADJ
admet-835	100	5	r	r	NOUN
admet-835	100	6	package	package	NOUN
admet-835	100	7	[	[	X
admet-835	100	8	37	37	NUM
admet-835	100	9	]	]	PUNCT
admet-835	100	10	to	to	PART
admet-835	100	11	assess	assess	VERB
admet-835	100	12	the	the	DET
admet-835	100	13	importance	importance	NOUN
admet-835	100	14	of	of	ADP
admet-835	100	15	each	each	DET
admet-835	100	16	descriptor	descriptor	NOUN
admet-835	100	17	based	base	VERB
admet-835	100	18	on	on	ADP
admet-835	100	19	their	their	PRON
admet-835	100	20	individual	individual	ADJ
admet-835	100	21	effects	effect	NOUN
admet-835	100	22	on	on	ADP
admet-835	100	23	mean	mean	ADJ
admet-835	100	24	squared	square	VERB
admet-835	100	25	error	error	NOUN
admet-835	100	26	for	for	ADP
admet-835	100	27	out	out	ADV
admet-835	100	28	-	-	PUNCT
admet-835	100	29	of	of	ADP
admet-835	100	30	-	-	PUNCT
admet-835	100	31	bag	bag	NOUN
admet-835	100	32	predictions	prediction	NOUN
admet-835	100	33	of	of	ADP
admet-835	100	34	the	the	DET
admet-835	100	35	training	training	NOUN
admet-835	100	36	set	set	NOUN
admet-835	100	37	,	,	PUNCT
admet-835	100	38	and	and	CCONJ
admet-835	100	39	on	on	ADP
admet-835	100	40	node	node	ADJ
admet-835	100	41	purity	purity	NOUN
admet-835	100	42	.	.	PUNCT
admet-835	101	1	we	we	PRON
admet-835	101	2	also	also	ADV
admet-835	101	3	rank	rank	VERB
admet-835	101	4	the	the	DET
admet-835	101	5	descriptors	descriptor	NOUN
admet-835	101	6	according	accord	VERB
admet-835	101	7	to	to	ADP
admet-835	101	8	their	their	PRON
admet-835	101	9	r2	r2	NOUN
admet-835	101	10	measure	measure	NOUN
admet-835	101	11	of	of	ADP
admet-835	101	12	correlation	correlation	NOUN
admet-835	101	13	with	with	ADP
admet-835	101	14	the	the	DET
admet-835	101	15	training	training	NOUN
admet-835	101	16	set	set	VERB
admet-835	101	17	log	log	NOUN
admet-835	101	18	s	s	PART
admet-835	101	19	values	value	NOUN
admet-835	101	20	.	.	PUNCT
admet-835	102	1	the	the	DET
admet-835	102	2	most	most	ADV
admet-835	102	3	important	important	ADJ
admet-835	102	4	descriptors	descriptor	NOUN
admet-835	102	5	are	be	AUX
admet-835	102	6	shown	show	VERB
admet-835	102	7	in	in	ADP
admet-835	102	8	table	table	NOUN
admet-835	102	9	a3	a3	NOUN
admet-835	102	10	.	.	PUNCT
admet-835	103	1	for	for	ADP
admet-835	103	2	the	the	DET
admet-835	103	3	ensembles	ensemble	NOUN
admet-835	103	4	of	of	ADP
admet-835	103	5	tree	tree	NOUN
admet-835	103	6	-	-	PUNCT
admet-835	103	7	like	like	ADJ
admet-835	103	8	models	model	NOUN
admet-835	103	9	(	(	PUNCT
admet-835	103	10	bagging	bagging	NOUN
admet-835	103	11	,	,	PUNCT
admet-835	103	12	random	random	ADJ
admet-835	103	13	forest	forest	NOUN
admet-835	103	14	and	and	CCONJ
admet-835	103	15	extra	extra	ADJ
admet-835	103	16	trees	tree	NOUN
admet-835	103	17	)	)	PUNCT
admet-835	103	18	,	,	PUNCT
admet-835	103	19	we	we	PRON
admet-835	103	20	used	use	VERB
admet-835	103	21	all	all	DET
admet-835	103	22	173	173	NUM
admet-835	103	23	descriptors	descriptor	NOUN
admet-835	103	24	,	,	PUNCT
admet-835	103	25	since	since	SCONJ
admet-835	103	26	these	these	DET
admet-835	103	27	methods	method	NOUN
admet-835	103	28	are	be	AUX
admet-835	103	29	considered	consider	VERB
admet-835	103	30	robust	robust	ADJ
admet-835	103	31	to	to	PART
admet-835	103	32	redundant	redundant	VERB
admet-835	103	33	information	information	NOUN
admet-835	104	1	[	[	X
admet-835	104	2	34	34	NUM
admet-835	104	3	]	]	PUNCT
admet-835	104	4	.	.	PUNCT
admet-835	105	1	however	however	ADV
admet-835	105	2	,	,	PUNCT
admet-835	105	3	for	for	ADP
admet-835	105	4	the	the	DET
admet-835	105	5	four	four	NUM
admet-835	105	6	knn	knn	NOUN
admet-835	105	7	variants	variant	NOUN
admet-835	105	8	,	,	PUNCT
admet-835	105	9	for	for	ADP
admet-835	105	10	mlp	mlp	PROPN
admet-835	105	11	and	and	CCONJ
admet-835	105	12	for	for	ADP
admet-835	105	13	rvm	rvm	NOUN
admet-835	105	14	we	we	PRON
admet-835	105	15	carried	carry	VERB
admet-835	105	16	out	out	ADP
admet-835	105	17	both	both	DET
admet-835	105	18	selection	selection	NOUN
admet-835	105	19	and	and	CCONJ
admet-835	105	20	scaling	scaling	NOUN
admet-835	105	21	on	on	ADP
admet-835	105	22	the	the	DET
admet-835	105	23	features	feature	NOUN
admet-835	105	24	.	.	PUNCT
admet-835	106	1	we	we	PRON
admet-835	106	2	removed	remove	VERB
admet-835	106	3	one	one	NUM
admet-835	106	4	of	of	ADP
admet-835	106	5	any	any	DET
admet-835	106	6	pair	pair	NOUN
admet-835	106	7	of	of	ADP
admet-835	106	8	descriptors	descriptor	NOUN
admet-835	106	9	whose	whose	DET
admet-835	106	10	correlation	correlation	NOUN
admet-835	106	11	coefficient	coefficient	NOUN
admet-835	106	12	had	have	VERB
admet-835	106	13	an	an	DET
admet-835	106	14	absolute	absolute	ADJ
admet-835	106	15	value	value	NOUN
admet-835	106	16	>	>	X
admet-835	106	17	0.8	0.8	NUM
admet-835	106	18	.	.	PUNCT
admet-835	107	1	we	we	PRON
admet-835	107	2	retained	retain	VERB
admet-835	107	3	the	the	DET
admet-835	107	4	descriptor	descriptor	NOUN
admet-835	107	5	with	with	ADP
admet-835	107	6	a	a	DET
admet-835	107	7	higher	high	ADJ
admet-835	107	8	absolute	absolute	ADJ
admet-835	107	9	correlation	correlation	NOUN
admet-835	107	10	coefficient	coefficient	NOUN
admet-835	107	11	with	with	ADP
admet-835	107	12	log	log	PROPN
admet-835	107	13	s	s	VERB
admet-835	107	14	over	over	ADP
admet-835	107	15	the	the	DET
admet-835	107	16	training	training	NOUN
admet-835	107	17	set	set	NOUN
admet-835	107	18	.	.	PUNCT
admet-835	108	1	thus	thus	ADV
admet-835	108	2	,	,	PUNCT
admet-835	108	3	we	we	PRON
admet-835	108	4	reduced	reduce	VERB
admet-835	108	5	the	the	DET
admet-835	108	6	dimensionality	dimensionality	NOUN
admet-835	108	7	substantially	substantially	ADV
admet-835	108	8	–	–	PUNCT
admet-835	108	9	the	the	DET
admet-835	108	10	resulting	result	VERB
admet-835	108	11	chemical	chemical	NOUN
admet-835	108	12	space	space	NOUN
admet-835	108	13	was	be	AUX
admet-835	108	14	defined	define	VERB
admet-835	108	15	by	by	ADP
admet-835	108	16	35	35	NUM
admet-835	108	17	remaining	remain	VERB
admet-835	108	18	descriptors	descriptor	NOUN
admet-835	108	19	.	.	PUNCT
admet-835	109	1	these	these	PRON
admet-835	109	2	remained	remain	VERB
admet-835	109	3	non	non	ADJ
admet-835	109	4	-	-	ADJ
admet-835	109	5	orthogonal	orthogonal	ADJ
admet-835	109	6	,	,	PUNCT
admet-835	109	7	so	so	SCONJ
admet-835	109	8	35	35	NUM
admet-835	109	9	is	be	AUX
admet-835	109	10	an	an	DET
admet-835	109	11	overestimate	overestimate	NOUN
admet-835	109	12	of	of	ADP
admet-835	109	13	the	the	DET
admet-835	109	14	true	true	ADJ
admet-835	109	15	dimensionality	dimensionality	NOUN
admet-835	109	16	of	of	ADP
admet-835	109	17	our	our	PRON
admet-835	109	18	chemical	chemical	NOUN
admet-835	109	19	space	space	NOUN
admet-835	109	20	.	.	PUNCT
admet-835	110	1	each	each	DET
admet-835	110	2	descriptor	descriptor	NOUN
admet-835	110	3	value	value	NOUN
admet-835	110	4	was	be	AUX
admet-835	110	5	scaled	scale	VERB
admet-835	110	6	to	to	ADP
admet-835	110	7	:	:	PUNCT
admet-835	110	8	f	f	PROPN
admet-835	110	9	f	f	PROPN
admet-835	111	1	i	i	PRON
admet-835	111	2	1,n	1,n	INTJ
admet-835	112	1	f	f	NOUN
admet-835	112	2	f	f	X
admet-835	112	3	1,n	1,n	NUM
admet-835	112	4	1,n	1,n	PROPN
admet-835	112	5	value	value	NOUN
admet-835	112	6	-min	-min	PUNCT
admet-835	112	7	max	max	PROPN
admet-835	112	8	-min	-min	PUNCT
admet-835	112	9	where	where	SCONJ
admet-835	112	10	valuef	valuef	NOUN
admet-835	112	11	i	i	PRON
admet-835	112	12	is	be	AUX
admet-835	112	13	the	the	DET
admet-835	112	14	value	value	NOUN
admet-835	112	15	of	of	ADP
admet-835	112	16	feature	feature	NOUN
admet-835	112	17	f	f	PROPN
admet-835	112	18	for	for	ADP
admet-835	112	19	compound	compound	NOUN
admet-835	112	20	i	i	PRON
admet-835	112	21	,	,	PUNCT
admet-835	112	22	maxf	maxf	ADV
admet-835	112	23	1,n	1,n	NUM
admet-835	112	24	is	be	AUX
admet-835	112	25	the	the	DET
admet-835	112	26	maximum	maximum	ADJ
admet-835	112	27	value	value	NOUN
admet-835	112	28	that	that	PRON
admet-835	112	29	feature	feature	NOUN
admet-835	112	30	f	f	PROPN
admet-835	112	31	takes	take	VERB
admet-835	112	32	admet	admet	PROPN
admet-835	112	33	&	&	CCONJ
admet-835	112	34	dmpk	dmpk	PROPN
admet-835	112	35	8(3	8(3	NUM
admet-835	112	36	)	)	PUNCT
admet-835	112	37	(	(	PUNCT
admet-835	112	38	2020	2020	NUM
admet-835	112	39	)	)	PUNCT
admet-835	112	40	215	215	NUM
admet-835	112	41	-	-	SYM
admet-835	112	42	250	250	NUM
admet-835	112	43	machine	machine	NOUN
admet-835	112	44	learning	learning	NOUN
admet-835	112	45	models	model	NOUN
admet-835	112	46	for	for	ADP
admet-835	112	47	the	the	DET
admet-835	112	48	2019	2019	NUM
admet-835	112	49	solubility	solubility	NOUN
admet-835	112	50	challenge	challenge	NOUN
admet-835	112	51	doi	doi	NOUN
admet-835	112	52	:	:	PUNCT
admet-835	112	53	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	112	54	219	219	NUM
admet-835	112	55	for	for	ADP
admet-835	112	56	any	any	PRON
admet-835	112	57	of	of	ADP
admet-835	112	58	compounds	compound	NOUN
admet-835	112	59	1	1	NUM
admet-835	112	60	to	to	ADP
admet-835	112	61	n	n	CCONJ
admet-835	112	62	,	,	PUNCT
admet-835	112	63	and	and	CCONJ
admet-835	112	64	min	min	PROPN
admet-835	112	65	f	f	PROPN
admet-835	112	66	1,n	1,n	PROPN
admet-835	112	67	is	be	AUX
admet-835	112	68	the	the	DET
admet-835	112	69	minimum	minimum	ADJ
admet-835	112	70	value	value	NOUN
admet-835	112	71	of	of	ADP
admet-835	112	72	f	f	PROPN
admet-835	112	73	for	for	ADP
admet-835	112	74	any	any	PRON
admet-835	112	75	of	of	ADP
admet-835	112	76	compounds	compound	NOUN
admet-835	112	77	1	1	NUM
admet-835	112	78	to	to	PART
admet-835	112	79	n.	n.	VERB
admet-835	112	80	this	this	PRON
admet-835	112	81	ensures	ensure	VERB
admet-835	112	82	that	that	SCONJ
admet-835	112	83	all	all	DET
admet-835	112	84	training	training	NOUN
admet-835	112	85	set	set	NOUN
admet-835	112	86	descriptors	descriptor	NOUN
admet-835	112	87	take	take	VERB
admet-835	112	88	a	a	DET
admet-835	112	89	value	value	NOUN
admet-835	112	90	in	in	ADP
admet-835	112	91	the	the	DET
admet-835	112	92	range	range	NOUN
admet-835	112	93	from	from	ADP
admet-835	112	94	zero	zero	NUM
admet-835	112	95	to	to	ADP
admet-835	112	96	one	one	NUM
admet-835	112	97	.	.	PUNCT
admet-835	113	1	test	test	NOUN
admet-835	113	2	and	and	CCONJ
admet-835	113	3	internal	internal	ADJ
admet-835	113	4	validation	validation	NOUN
admet-835	113	5	set	set	NOUN
admet-835	113	6	features	feature	NOUN
admet-835	113	7	are	be	AUX
admet-835	113	8	scaled	scale	VERB
admet-835	113	9	using	use	VERB
admet-835	113	10	the	the	DET
admet-835	113	11	max	max	PROPN
admet-835	113	12	and	and	CCONJ
admet-835	113	13	min	min	NOUN
admet-835	113	14	values	value	NOUN
admet-835	113	15	from	from	ADP
admet-835	113	16	the	the	DET
admet-835	113	17	training	training	NOUN
admet-835	113	18	set	set	VERB
admet-835	113	19	to	to	PART
admet-835	113	20	ensure	ensure	VERB
admet-835	113	21	that	that	SCONJ
admet-835	113	22	no	no	DET
admet-835	113	23	test	test	NOUN
admet-835	113	24	set	set	VERB
admet-835	113	25	data	datum	NOUN
admet-835	113	26	leak	leak	NOUN
admet-835	113	27	into	into	ADP
admet-835	113	28	the	the	DET
admet-835	113	29	model	model	NOUN
admet-835	113	30	construction	construction	NOUN
admet-835	113	31	process	process	NOUN
admet-835	113	32	.	.	PUNCT
admet-835	114	1	for	for	ADP
admet-835	114	2	the	the	DET
admet-835	114	3	mlp	mlp	NOUN
admet-835	114	4	model	model	NOUN
admet-835	114	5	only	only	ADV
admet-835	114	6	,	,	PUNCT
admet-835	114	7	log	log	PROPN
admet-835	114	8	s	s	NOUN
admet-835	114	9	values	value	NOUN
admet-835	114	10	were	be	AUX
admet-835	114	11	scaled	scale	VERB
admet-835	114	12	onto	onto	ADP
admet-835	114	13	the	the	DET
admet-835	114	14	range	range	NOUN
admet-835	114	15	zero	zero	NUM
admet-835	114	16	to	to	ADP
admet-835	114	17	one	one	NUM
admet-835	114	18	in	in	ADP
admet-835	114	19	the	the	DET
admet-835	114	20	same	same	ADJ
admet-835	114	21	way	way	NOUN
admet-835	114	22	.	.	PUNCT
admet-835	115	1	results	result	NOUN
admet-835	115	2	and	and	CCONJ
admet-835	115	3	discussion	discussion	NOUN
admet-835	115	4	results	result	NOUN
admet-835	115	5	obtained	obtain	VERB
admet-835	115	6	on	on	ADP
admet-835	115	7	the	the	DET
admet-835	115	8	36	36	NUM
admet-835	115	9	-	-	PUNCT
admet-835	115	10	molecule	molecule	NOUN
admet-835	115	11	internal	internal	ADJ
admet-835	115	12	validation	validation	NOUN
admet-835	115	13	set	set	NOUN
admet-835	115	14	are	be	AUX
admet-835	115	15	summarised	summarise	VERB
admet-835	115	16	in	in	ADP
admet-835	115	17	table	table	NOUN
admet-835	115	18	1	1	NUM
admet-835	115	19	.	.	PUNCT
admet-835	116	1	here	here	ADV
admet-835	116	2	,	,	PUNCT
admet-835	116	3	rmse	rmse	PROPN
admet-835	116	4	is	be	AUX
admet-835	116	5	the	the	DET
admet-835	116	6	root	root	NOUN
admet-835	116	7	mean	mean	VERB
admet-835	116	8	squared	square	VERB
admet-835	116	9	error	error	NOUN
admet-835	116	10	of	of	ADP
admet-835	116	11	the	the	DET
admet-835	116	12	predicted	predict	VERB
admet-835	116	13	log	log	NOUN
admet-835	116	14	s	s	NOUN
admet-835	116	15	over	over	ADP
admet-835	116	16	the	the	DET
admet-835	116	17	36	36	NUM
admet-835	116	18	compounds	compound	NOUN
admet-835	116	19	.	.	PUNCT
admet-835	117	1	aae	aae	PROPN
admet-835	117	2	is	be	AUX
admet-835	117	3	the	the	DET
admet-835	117	4	average	average	ADJ
admet-835	117	5	absolute	absolute	ADJ
admet-835	117	6	error	error	NOUN
admet-835	117	7	,	,	PUNCT
admet-835	117	8	r	r	NOUN
admet-835	117	9	2	2	NUM
admet-835	117	10	is	be	AUX
admet-835	117	11	the	the	DET
admet-835	117	12	square	square	NOUN
admet-835	117	13	of	of	ADP
admet-835	117	14	the	the	DET
admet-835	117	15	pearson	pearson	PROPN
admet-835	117	16	correlation	correlation	NOUN
admet-835	117	17	coefficient	coefficient	NOUN
admet-835	117	18	(	(	PUNCT
admet-835	117	19	not	not	PART
admet-835	117	20	the	the	DET
admet-835	117	21	coefficient	coefficient	NOUN
admet-835	117	22	of	of	ADP
admet-835	117	23	determination	determination	NOUN
admet-835	117	24	)	)	PUNCT
admet-835	117	25	.	.	PUNCT
admet-835	118	1	the	the	DET
admet-835	118	2	final	final	ADJ
admet-835	118	3	two	two	NUM
admet-835	118	4	columns	column	NOUN
admet-835	118	5	give	give	VERB
admet-835	118	6	the	the	DET
admet-835	118	7	numbers	number	NOUN
admet-835	118	8	of	of	ADP
admet-835	118	9	compounds	compound	NOUN
admet-835	118	10	,	,	PUNCT
admet-835	118	11	out	out	ADP
admet-835	118	12	of	of	ADP
admet-835	118	13	36	36	NUM
admet-835	118	14	,	,	PUNCT
admet-835	118	15	with	with	ADP
admet-835	118	16	log	log	PROPN
admet-835	118	17	s	s	AUX
admet-835	118	18	predicted	predict	VERB
admet-835	118	19	to	to	ADP
admet-835	118	20	within	within	ADP
admet-835	118	21	0.5	0.5	NUM
admet-835	118	22	and	and	CCONJ
admet-835	118	23	within	within	ADP
admet-835	118	24	1.0	1.0	NUM
admet-835	118	25	log	log	NOUN
admet-835	118	26	s	s	PART
admet-835	118	27	units	unit	NOUN
admet-835	118	28	,	,	PUNCT
admet-835	118	29	respectively	respectively	ADV
admet-835	118	30	.	.	PUNCT
admet-835	119	1	results	result	NOUN
admet-835	119	2	are	be	AUX
admet-835	119	3	shown	show	VERB
admet-835	119	4	in	in	ADP
admet-835	119	5	table	table	NOUN
admet-835	119	6	1	1	NUM
admet-835	119	7	in	in	ADP
admet-835	119	8	order	order	NOUN
admet-835	119	9	of	of	ADP
admet-835	119	10	increasing	increase	VERB
admet-835	119	11	rmse	rmse	NOUN
admet-835	119	12	for	for	ADP
admet-835	119	13	each	each	PRON
admet-835	119	14	of	of	ADP
admet-835	119	15	nine	nine	NUM
admet-835	119	16	individual	individual	ADJ
admet-835	119	17	machine	machine	NOUN
admet-835	119	18	learning	learning	NOUN
admet-835	119	19	methods	method	NOUN
admet-835	119	20	,	,	PUNCT
admet-835	119	21	with	with	SCONJ
admet-835	119	22	the	the	DET
admet-835	119	23	four	four	NUM
admet-835	119	24	knn	knn	NOUN
admet-835	119	25	variants	variant	NOUN
admet-835	119	26	each	each	PRON
admet-835	119	27	being	be	AUX
admet-835	119	28	implemented	implement	VERB
admet-835	119	29	with	with	ADP
admet-835	119	30	the	the	DET
admet-835	119	31	k	k	PROPN
admet-835	119	32	value	value	NOUN
admet-835	119	33	pre	pre	VERB
admet-835	119	34	-	-	VERB
admet-835	119	35	selected	select	VERB
admet-835	119	36	by	by	ADP
admet-835	119	37	loocv	loocv	NOUN
admet-835	119	38	over	over	ADP
admet-835	119	39	the	the	DET
admet-835	119	40	training	training	NOUN
admet-835	119	41	set	set	NOUN
admet-835	119	42	;	;	PUNCT
admet-835	119	43	that	that	PRON
admet-835	119	44	is	be	AUX
admet-835	119	45	k	k	NOUN
admet-835	119	46	=	=	SYM
admet-835	119	47	4	4	NUM
admet-835	119	48	for	for	ADP
admet-835	119	49	the	the	DET
admet-835	119	50	weighted	weight	VERB
admet-835	119	51	and	and	CCONJ
admet-835	119	52	unweighted	unweighted	ADJ
admet-835	119	53	manhattan	manhattan	PROPN
admet-835	119	54	distance	distance	NOUN
admet-835	119	55	-	-	PUNCT
admet-835	119	56	based	base	VERB
admet-835	119	57	knn	knn	NOUN
admet-835	119	58	models	model	NOUN
admet-835	119	59	,	,	PUNCT
admet-835	119	60	and	and	CCONJ
admet-835	119	61	k	k	X
admet-835	119	62	=	=	SYM
admet-835	119	63	6	6	NUM
admet-835	119	64	for	for	ADP
admet-835	119	65	the	the	DET
admet-835	119	66	corresponding	corresponding	ADJ
admet-835	119	67	euclidean	euclidean	ADJ
admet-835	119	68	distance	distance	NOUN
admet-835	119	69	-	-	PUNCT
admet-835	119	70	based	base	VERB
admet-835	119	71	models	model	NOUN
admet-835	119	72	.	.	PUNCT
admet-835	120	1	below	below	ADP
admet-835	120	2	this	this	PRON
admet-835	120	3	,	,	PUNCT
admet-835	120	4	the	the	DET
admet-835	120	5	results	result	NOUN
admet-835	120	6	for	for	ADP
admet-835	120	7	different	different	ADJ
admet-835	120	8	possible	possible	ADJ
admet-835	120	9	definitions	definition	NOUN
admet-835	120	10	of	of	ADP
admet-835	120	11	vox	vox	PROPN
admet-835	120	12	machinarum	machinarum	PROPN
admet-835	120	13	,	,	PUNCT
admet-835	120	14	respectively	respectively	ADV
admet-835	120	15	using	use	VERB
admet-835	120	16	the	the	DET
admet-835	120	17	median	median	ADJ
admet-835	120	18	values	value	NOUN
admet-835	120	19	from	from	ADP
admet-835	120	20	the	the	DET
admet-835	120	21	best	good	ADJ
admet-835	120	22	3	3	NUM
admet-835	120	23	,	,	PUNCT
admet-835	120	24	5	5	NUM
admet-835	120	25	,	,	PUNCT
admet-835	120	26	7	7	NUM
admet-835	120	27	or	or	CCONJ
admet-835	120	28	9	9	NUM
admet-835	120	29	predictors	predictor	NOUN
admet-835	120	30	,	,	PUNCT
admet-835	120	31	are	be	AUX
admet-835	120	32	given	give	VERB
admet-835	120	33	also	also	ADV
admet-835	120	34	by	by	ADP
admet-835	120	35	ascending	ascend	VERB
admet-835	120	36	rmse	rmse	NOUN
admet-835	120	37	.	.	PUNCT
admet-835	121	1	table	table	NOUN
admet-835	121	2	1	1	NUM
admet-835	121	3	.	.	PUNCT
admet-835	122	1	statistical	statistical	ADJ
admet-835	122	2	evaluations	evaluation	NOUN
admet-835	122	3	of	of	ADP
admet-835	122	4	ml	ml	NOUN
admet-835	122	5	predictions	prediction	NOUN
admet-835	122	6	for	for	ADP
admet-835	122	7	the	the	DET
admet-835	122	8	9	9	NUM
admet-835	122	9	individual	individual	ADJ
admet-835	122	10	predictors	predictor	NOUN
admet-835	122	11	and	and	CCONJ
admet-835	122	12	for	for	ADP
admet-835	122	13	four	four	NUM
admet-835	122	14	possible	possible	ADJ
admet-835	122	15	definitions	definition	NOUN
admet-835	122	16	of	of	ADP
admet-835	122	17	the	the	DET
admet-835	122	18	vox	vox	PROPN
admet-835	122	19	machinarum	machinarum	PROPN
admet-835	122	20	classifier	classifier	NOUN
admet-835	122	21	over	over	ADP
admet-835	122	22	our	our	PRON
admet-835	122	23	internal	internal	ADJ
admet-835	122	24	validation	validation	NOUN
admet-835	122	25	set	set	NOUN
admet-835	122	26	of	of	ADP
admet-835	122	27	36	36	NUM
admet-835	122	28	compounds	compound	NOUN
admet-835	122	29	method	method	NOUN
admet-835	122	30	rmse	rmse	NOUN
admet-835	122	31	aae	aae	PROPN
admet-835	122	32	r	r	PROPN
admet-835	122	33	2	2	NUM
admet-835	122	34	err	err	NOUN
admet-835	122	35	<	<	X
admet-835	122	36	0.5	0.5	NUM
admet-835	122	37	err	err	NOUN
admet-835	122	38	<	<	X
admet-835	122	39	1.0	1.0	NUM
admet-835	122	40	extra	extra	ADJ
admet-835	122	41	trees	tree	NOUN
admet-835	122	42	0.766	0.766	NUM
admet-835	122	43	0.582	0.582	NUM
admet-835	122	44	0.789	0.789	NUM
admet-835	122	45	18	18	NUM
admet-835	122	46	(	(	PUNCT
admet-835	122	47	50	50	NUM
admet-835	122	48	%	%	NOUN
admet-835	122	49	)	)	PUNCT
admet-835	122	50	30	30	NUM
admet-835	122	51	(	(	PUNCT
admet-835	122	52	83	83	NUM
admet-835	122	53	%	%	NOUN
admet-835	122	54	)	)	PUNCT
admet-835	122	55	random	random	ADJ
admet-835	122	56	forest	forest	NOUN
admet-835	122	57	0.766	0.766	NUM
admet-835	122	58	0.607	0.607	NUM
admet-835	122	59	0.792	0.792	NUM
admet-835	122	60	17	17	NUM
admet-835	122	61	(	(	PUNCT
admet-835	122	62	47	47	NUM
admet-835	122	63	%	%	NOUN
admet-835	122	64	)	)	PUNCT
admet-835	122	65	29	29	NUM
admet-835	122	66	(	(	PUNCT
admet-835	122	67	81	81	NUM
admet-835	122	68	%	%	NOUN
admet-835	122	69	)	)	PUNCT
admet-835	122	70	bagging	bag	VERB
admet-835	122	71	0.827	0.827	NUM
admet-835	122	72	0.659	0.659	NUM
admet-835	122	73	0.737	0.737	NUM
admet-835	122	74	16	16	NUM
admet-835	122	75	(	(	PUNCT
admet-835	122	76	44	44	NUM
admet-835	122	77	%	%	NOUN
admet-835	122	78	)	)	PUNCT
admet-835	122	79	26	26	NUM
admet-835	122	80	(	(	PUNCT
admet-835	122	81	72	72	NUM
admet-835	122	82	%	%	NOUN
admet-835	122	83	)	)	PUNCT
admet-835	122	84	mlp	mlp	NOUN
admet-835	122	85	1.017	1.017	NUM
admet-835	122	86	0.804	0.804	NUM
admet-835	122	87	0.597	0.597	NUM
admet-835	122	88	16	16	NUM
admet-835	122	89	(	(	PUNCT
admet-835	122	90	44	44	NUM
admet-835	122	91	%	%	NOUN
admet-835	122	92	)	)	PUNCT
admet-835	122	93	24	24	NUM
admet-835	122	94	(	(	PUNCT
admet-835	122	95	67	67	NUM
admet-835	122	96	%	%	NOUN
admet-835	122	97	)	)	PUNCT
admet-835	123	1	knn	knn	PROPN
admet-835	123	2	man	man	PROPN
admet-835	123	3	unw	unw	NOUN
admet-835	123	4	k4	k4	PROPN
admet-835	123	5	1.034	1.034	NUM
admet-835	123	6	0.792	0.792	NUM
admet-835	123	7	0.579	0.579	NUM
admet-835	123	8	18	18	NUM
admet-835	123	9	(	(	PUNCT
admet-835	123	10	50	50	NUM
admet-835	123	11	%	%	NOUN
admet-835	123	12	)	)	PUNCT
admet-835	123	13	26	26	NUM
admet-835	123	14	(	(	PUNCT
admet-835	123	15	72	72	NUM
admet-835	123	16	%	%	NOUN
admet-835	123	17	)	)	PUNCT
admet-835	123	18	knn	knn	PROPN
admet-835	124	1	eu	eu	PROPN
admet-835	124	2	exp	exp	NOUN
admet-835	124	3	k6	k6	PROPN
admet-835	124	4	1.054	1.054	NUM
admet-835	124	5	0.818	0.818	NUM
admet-835	124	6	0.573	0.573	NUM
admet-835	124	7	14	14	NUM
admet-835	124	8	(	(	PUNCT
admet-835	124	9	39	39	NUM
admet-835	124	10	%	%	NOUN
admet-835	124	11	)	)	PUNCT
admet-835	124	12	25	25	NUM
admet-835	124	13	(	(	PUNCT
admet-835	124	14	69	69	NUM
admet-835	124	15	%	%	NOUN
admet-835	124	16	)	)	PUNCT
admet-835	124	17	knn	knn	PROPN
admet-835	124	18	man	man	PROPN
admet-835	124	19	exp	exp	NOUN
admet-835	124	20	k4	k4	PROPN
admet-835	124	21	1.062	1.062	NUM
admet-835	124	22	0.791	0.791	NUM
admet-835	124	23	0.548	0.548	NUM
admet-835	124	24	18	18	NUM
admet-835	124	25	(	(	PUNCT
admet-835	124	26	50	50	NUM
admet-835	124	27	%	%	NOUN
admet-835	124	28	)	)	PUNCT
admet-835	124	29	25	25	NUM
admet-835	124	30	(	(	PUNCT
admet-835	124	31	69	69	NUM
admet-835	124	32	%	%	NOUN
admet-835	124	33	)	)	PUNCT
admet-835	124	34	rvm	rvm	NOUN
admet-835	124	35	1.121	1.121	NUM
admet-835	124	36	0.820	0.820	NUM
admet-835	124	37	0.509	0.509	NUM
admet-835	124	38	16	16	NUM
admet-835	124	39	(	(	PUNCT
admet-835	124	40	44	44	NUM
admet-835	124	41	%	%	NOUN
admet-835	124	42	)	)	PUNCT
admet-835	124	43	25	25	NUM
admet-835	124	44	(	(	PUNCT
admet-835	124	45	69	69	NUM
admet-835	124	46	%	%	NOUN
admet-835	124	47	)	)	PUNCT
admet-835	124	48	knn	knn	PROPN
admet-835	125	1	eu	eu	PROPN
admet-835	125	2	unw	unw	PROPN
admet-835	125	3	k6	k6	PROPN
admet-835	125	4	1.122	1.122	NUM
admet-835	125	5	0.906	0.906	NUM
admet-835	125	6	0.528	0.528	NUM
admet-835	125	7	12	12	NUM
admet-835	125	8	(	(	PUNCT
admet-835	125	9	33	33	NUM
admet-835	125	10	%	%	NOUN
admet-835	125	11	)	)	PUNCT
admet-835	125	12	22	22	NUM
admet-835	125	13	(	(	PUNCT
admet-835	125	14	61	61	NUM
admet-835	125	15	%	%	NOUN
admet-835	125	16	)	)	PUNCT
admet-835	125	17	vox	vox	PROPN
admet-835	125	18	machinarum	machinarum	PROPN
admet-835	125	19	(	(	PUNCT
admet-835	125	20	3	3	NUM
admet-835	125	21	)	)	PUNCT
admet-835	125	22	0.760	0.760	NUM
admet-835	125	23	0.602	0.602	NUM
admet-835	125	24	0.797	0.797	NUM
admet-835	125	25	17	17	NUM
admet-835	125	26	(	(	PUNCT
admet-835	125	27	47	47	NUM
admet-835	125	28	%	%	NOUN
admet-835	125	29	)	)	PUNCT
admet-835	125	30	29	29	NUM
admet-835	125	31	(	(	PUNCT
admet-835	125	32	81	81	NUM
admet-835	125	33	%	%	NOUN
admet-835	125	34	)	)	PUNCT
admet-835	126	1	vox	vox	PROPN
admet-835	126	2	machinarum	machinarum	PROPN
admet-835	126	3	(	(	PUNCT
admet-835	126	4	5	5	NUM
admet-835	126	5	)	)	PUNCT
admet-835	126	6	0.787	0.787	NUM
admet-835	126	7	0.627	0.627	NUM
admet-835	126	8	0.771	0.771	NUM
admet-835	126	9	17	17	NUM
admet-835	126	10	(	(	PUNCT
admet-835	126	11	47	47	NUM
admet-835	126	12	%	%	NOUN
admet-835	126	13	)	)	PUNCT
admet-835	126	14	29	29	NUM
admet-835	126	15	(	(	PUNCT
admet-835	126	16	81	81	NUM
admet-835	126	17	%	%	NOUN
admet-835	126	18	)	)	PUNCT
admet-835	127	1	vox	vox	PROPN
admet-835	127	2	machinarum	machinarum	PROPN
admet-835	127	3	(	(	PUNCT
admet-835	127	4	7	7	NUM
admet-835	127	5	)	)	PUNCT
admet-835	127	6	0.891	0.891	NUM
admet-835	127	7	0.695	0.695	NUM
admet-835	127	8	0.695	0.695	NUM
admet-835	127	9	16	16	NUM
admet-835	127	10	(	(	PUNCT
admet-835	127	11	44	44	NUM
admet-835	127	12	%	%	NOUN
admet-835	127	13	)	)	PUNCT
admet-835	127	14	29	29	NUM
admet-835	127	15	(	(	PUNCT
admet-835	127	16	81	81	NUM
admet-835	127	17	%	%	NOUN
admet-835	127	18	)	)	PUNCT
admet-835	128	1	vox	vox	PROPN
admet-835	128	2	machinarum	machinarum	PROPN
admet-835	128	3	(	(	PUNCT
admet-835	128	4	9	9	NUM
admet-835	128	5	)	)	PUNCT
admet-835	128	6	0.944	0.944	NUM
admet-835	128	7	0.728	0.728	NUM
admet-835	128	8	0.660	0.660	NUM
admet-835	128	9	16	16	NUM
admet-835	128	10	(	(	PUNCT
admet-835	128	11	44	44	NUM
admet-835	128	12	%	%	NOUN
admet-835	128	13	)	)	PUNCT
admet-835	128	14	28	28	NUM
admet-835	128	15	(	(	PUNCT
admet-835	128	16	78	78	NUM
admet-835	128	17	%	%	NOUN
admet-835	128	18	)	)	PUNCT
admet-835	128	19	the	the	DET
admet-835	128	20	rules	rule	NOUN
admet-835	128	21	of	of	ADP
admet-835	128	22	the	the	DET
admet-835	128	23	challenge	challenge	NOUN
admet-835	128	24	stipulated	stipulate	VERB
admet-835	128	25	that	that	SCONJ
admet-835	128	26	each	each	DET
admet-835	128	27	entrant	entrant	NOUN
admet-835	128	28	could	could	AUX
admet-835	128	29	submit	submit	VERB
admet-835	128	30	only	only	ADV
admet-835	128	31	three	three	NUM
admet-835	128	32	models	model	NOUN
admet-835	128	33	.	.	PUNCT
admet-835	129	1	based	base	VERB
admet-835	129	2	upon	upon	SCONJ
admet-835	129	3	these	these	DET
admet-835	129	4	results	result	NOUN
admet-835	129	5	,	,	PUNCT
admet-835	129	6	the	the	DET
admet-835	129	7	three	three	NUM
admet-835	129	8	-	-	PUNCT
admet-835	129	9	predictor	predictor	NOUN
admet-835	129	10	median	median	ADJ
admet-835	129	11	version	version	NOUN
admet-835	129	12	of	of	ADP
admet-835	129	13	vox	vox	PROPN
admet-835	129	14	machinarum	machinarum	PROPN
admet-835	129	15	,	,	PUNCT
admet-835	129	16	extra	extra	ADJ
admet-835	129	17	trees	tree	NOUN
admet-835	129	18	,	,	PUNCT
admet-835	129	19	and	and	CCONJ
admet-835	129	20	random	random	ADJ
admet-835	129	21	forest	forest	NOUN
admet-835	129	22	were	be	AUX
admet-835	129	23	the	the	DET
admet-835	129	24	selected	select	VERB
admet-835	129	25	models	model	NOUN
admet-835	129	26	going	go	VERB
admet-835	129	27	forward	forward	ADV
admet-835	129	28	to	to	ADP
admet-835	129	29	the	the	DET
admet-835	129	30	actual	actual	ADJ
admet-835	129	31	solubility	solubility	NOUN
admet-835	129	32	challenge	challenge	NOUN
admet-835	129	33	.	.	PUNCT
admet-835	130	1	the	the	DET
admet-835	130	2	third	third	ADJ
admet-835	130	3	predictor	predictor	NOUN
admet-835	130	4	chosen	choose	VERB
admet-835	130	5	to	to	PART
admet-835	130	6	contribute	contribute	VERB
admet-835	130	7	to	to	ADP
admet-835	130	8	the	the	DET
admet-835	130	9	vox	vox	PROPN
admet-835	130	10	machinarum	machinarum	PROPN
admet-835	130	11	consensus	consensus	NOUN
admet-835	130	12	was	be	AUX
admet-835	130	13	bagging	bag	VERB
admet-835	130	14	,	,	PUNCT
admet-835	130	15	which	which	PRON
admet-835	130	16	obtained	obtain	VERB
admet-835	130	17	the	the	DET
admet-835	130	18	third	third	ADJ
admet-835	130	19	best	good	ADJ
admet-835	130	20	individual	individual	ADJ
admet-835	130	21	rmse	rmse	NOUN
admet-835	130	22	here	here	ADV
admet-835	130	23	.	.	PUNCT
admet-835	131	1	2019	2019	NUM
admet-835	131	2	solubility	solubility	NOUN
admet-835	131	3	challenge	challenge	VERB
admet-835	131	4	the	the	DET
admet-835	131	5	extra	extra	ADJ
admet-835	131	6	trees	tree	NOUN
admet-835	131	7	,	,	PUNCT
admet-835	131	8	random	random	ADJ
admet-835	131	9	forest	forest	NOUN
admet-835	131	10	and	and	CCONJ
admet-835	131	11	bagging	bagging	NOUN
admet-835	131	12	classifiers	classifier	NOUN
admet-835	131	13	were	be	AUX
admet-835	131	14	applied	apply	VERB
admet-835	131	15	to	to	ADP
admet-835	131	16	each	each	PRON
admet-835	131	17	of	of	ADP
admet-835	131	18	the	the	DET
admet-835	131	19	tight	tight	ADJ
admet-835	131	20	100	100	NUM
admet-835	131	21	-	-	PUNCT
admet-835	131	22	compound	compound	NOUN
admet-835	131	23	test	test	NOUN
admet-835	131	24	set	set	VERB
admet-835	131	25	and	and	CCONJ
admet-835	131	26	the	the	DET
admet-835	131	27	tight	tight	ADJ
admet-835	131	28	32	32	NUM
admet-835	131	29	-	-	PUNCT
admet-835	131	30	compound	compound	NOUN
admet-835	131	31	set	set	NOUN
admet-835	131	32	provided	provide	VERB
admet-835	131	33	by	by	ADP
admet-835	131	34	the	the	DET
admet-835	131	35	organisers	organiser	NOUN
admet-835	131	36	of	of	ADP
admet-835	131	37	the	the	DET
admet-835	131	38	2019	2019	NUM
admet-835	131	39	solubility	solubility	NOUN
admet-835	131	40	challenge	challenge	NOUN
admet-835	131	41	.	.	PUNCT
admet-835	132	1	these	these	DET
admet-835	132	2	compounds	compound	NOUN
admet-835	132	3	were	be	AUX
admet-835	132	4	provided	provide	VERB
admet-835	132	5	in	in	ADP
admet-835	132	6	the	the	DET
admet-835	132	7	form	form	NOUN
admet-835	132	8	of	of	ADP
admet-835	132	9	names	name	NOUN
admet-835	132	10	and	and	CCONJ
admet-835	132	11	smiles	smile	VERB
admet-835	132	12	[	[	X
admet-835	132	13	44	44	NUM
admet-835	132	14	]	]	PUNCT
admet-835	132	15	codes	code	NOUN
admet-835	132	16	.	.	PUNCT
admet-835	133	1	several	several	ADJ
admet-835	133	2	of	of	ADP
admet-835	133	3	the	the	DET
admet-835	133	4	aromatic	aromatic	ADJ
admet-835	133	5	compounds	compound	NOUN
admet-835	133	6	in	in	ADP
admet-835	133	7	the	the	DET
admet-835	133	8	test	test	NOUN
admet-835	133	9	sets	set	NOUN
admet-835	133	10	had	have	VERB
admet-835	133	11	smiles	smile	NOUN
admet-835	133	12	codes	code	NOUN
admet-835	133	13	which	which	PRON
admet-835	133	14	expressed	express	VERB
admet-835	133	15	these	these	DET
admet-835	133	16	rings	ring	NOUN
admet-835	133	17	as	as	ADP
admet-835	133	18	alternating	alternate	VERB
admet-835	133	19	single	single	ADJ
admet-835	133	20	and	and	CCONJ
admet-835	133	21	double	double	ADJ
admet-835	133	22	bonds	bond	NOUN
admet-835	133	23	.	.	PUNCT
admet-835	134	1	given	give	VERB
admet-835	134	2	that	that	SCONJ
admet-835	134	3	our	our	PRON
admet-835	134	4	training	training	NOUN
admet-835	134	5	set	set	VERB
admet-835	134	6	molecules	molecule	NOUN
admet-835	134	7	had	have	AUX
admet-835	134	8	been	be	AUX
admet-835	134	9	built	build	VERB
admet-835	134	10	with	with	ADP
admet-835	134	11	explicitly	explicitly	ADV
admet-835	134	12	aromatic	aromatic	ADJ
admet-835	134	13	smiles	smile	NOUN
admet-835	134	14	where	where	SCONJ
admet-835	134	15	relevant	relevant	ADJ
admet-835	134	16	,	,	PUNCT
admet-835	134	17	at	at	ADP
admet-835	134	18	least	least	ADJ
admet-835	134	19	for	for	ADP
admet-835	134	20	the	the	DET
admet-835	134	21	substantial	substantial	ADJ
admet-835	134	22	majority	majority	NOUN
admet-835	134	23	of	of	ADP
admet-835	134	24	cases	case	NOUN
admet-835	134	25	,	,	PUNCT
admet-835	134	26	it	it	PRON
admet-835	134	27	was	be	AUX
admet-835	134	28	felt	feel	VERB
admet-835	134	29	that	that	SCONJ
admet-835	134	30	consistency	consistency	NOUN
admet-835	134	31	was	be	AUX
admet-835	134	32	needed	need	VERB
admet-835	134	33	between	between	ADP
admet-835	134	34	training	training	NOUN
admet-835	134	35	and	and	CCONJ
admet-835	134	36	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	134	37	john	john	PROPN
admet-835	134	38	b.	b.	PROPN
admet-835	134	39	o.	o.	PROPN
admet-835	134	40	mitchell	mitchell	PROPN
admet-835	134	41	admet	admet	PROPN
admet-835	134	42	&	&	CCONJ
admet-835	134	43	dmpk	dmpk	PROPN
admet-835	134	44	8(3	8(3	NUM
admet-835	134	45	)	)	PUNCT
admet-835	134	46	(	(	PUNCT
admet-835	134	47	2020	2020	NUM
admet-835	134	48	)	)	PUNCT
admet-835	134	49	215	215	NUM
admet-835	134	50	-	-	SYM
admet-835	134	51	250	250	NUM
admet-835	134	52	220	220	NUM
admet-835	134	53	test	test	NOUN
admet-835	134	54	sets	set	NOUN
admet-835	134	55	.	.	PUNCT
admet-835	135	1	test	test	NOUN
admet-835	135	2	set	set	NOUN
admet-835	135	3	smiles	smile	NOUN
admet-835	135	4	were	be	AUX
admet-835	135	5	aromatised	aromatise	VERB
admet-835	135	6	where	where	SCONJ
admet-835	135	7	appropriate	appropriate	ADJ
admet-835	135	8	by	by	ADP
admet-835	135	9	replacing	replace	VERB
admet-835	135	10	alternating	alternate	VERB
admet-835	135	11	single	single	ADJ
admet-835	135	12	-	-	PUNCT
admet-835	135	13	double	double	ADJ
admet-835	135	14	bond	bond	NOUN
admet-835	135	15	smiles	smile	VERB
admet-835	135	16	codes	code	NOUN
admet-835	135	17	with	with	ADP
admet-835	135	18	alternative	alternative	ADJ
admet-835	135	19	smiles	smile	NOUN
admet-835	135	20	containing	contain	VERB
admet-835	135	21	explicit	explicit	ADJ
admet-835	135	22	aromatic	aromatic	ADJ
admet-835	135	23	bonds	bond	NOUN
admet-835	135	24	;	;	PUNCT
admet-835	135	25	these	these	DET
admet-835	135	26	changes	change	NOUN
admet-835	135	27	affected	affect	VERB
admet-835	135	28	44/100	44/100	NUM
admet-835	135	29	and	and	CCONJ
admet-835	135	30	8/32	8/32	NUM
admet-835	135	31	compounds	compound	NOUN
admet-835	135	32	in	in	ADP
admet-835	135	33	the	the	DET
admet-835	135	34	respective	respective	ADJ
admet-835	135	35	test	test	NOUN
admet-835	135	36	sets	set	NOUN
admet-835	135	37	.	.	PUNCT
admet-835	136	1	once	once	SCONJ
admet-835	136	2	these	these	DET
admet-835	136	3	changes	change	NOUN
admet-835	136	4	had	have	AUX
admet-835	136	5	been	be	AUX
admet-835	136	6	made	make	VERB
admet-835	136	7	,	,	PUNCT
admet-835	136	8	the	the	DET
admet-835	136	9	same	same	ADJ
admet-835	136	10	cdk	cdk	NOUN
admet-835	136	11	descriptors	descriptor	NOUN
admet-835	136	12	as	as	ADP
admet-835	136	13	detailed	detailed	ADJ
admet-835	136	14	above	above	ADV
admet-835	136	15	were	be	AUX
admet-835	136	16	calculated	calculate	VERB
admet-835	136	17	for	for	ADP
admet-835	136	18	all	all	DET
admet-835	136	19	132	132	NUM
admet-835	136	20	test	test	NOUN
admet-835	136	21	compounds	compound	NOUN
admet-835	136	22	.	.	PUNCT
admet-835	137	1	given	give	VERB
admet-835	137	2	that	that	SCONJ
admet-835	137	3	all	all	DET
admet-835	137	4	those	those	DET
admet-835	137	5	methods	method	NOUN
admet-835	137	6	requiring	require	VERB
admet-835	137	7	descriptor	descriptor	NOUN
admet-835	137	8	scaling	scaling	NOUN
admet-835	137	9	had	have	AUX
admet-835	137	10	now	now	ADV
admet-835	137	11	been	be	AUX
admet-835	137	12	eliminated	eliminate	VERB
admet-835	137	13	from	from	ADP
admet-835	137	14	consideration	consideration	NOUN
admet-835	137	15	,	,	PUNCT
admet-835	137	16	no	no	DET
admet-835	137	17	descriptor	descriptor	NOUN
admet-835	137	18	scaling	scaling	NOUN
admet-835	137	19	or	or	CCONJ
admet-835	137	20	feature	feature	NOUN
admet-835	137	21	selection	selection	NOUN
admet-835	137	22	were	be	AUX
admet-835	137	23	performed	perform	VERB
admet-835	137	24	.	.	PUNCT
admet-835	138	1	the	the	DET
admet-835	138	2	same	same	ADJ
admet-835	138	3	trained	train	VERB
admet-835	138	4	versions	version	NOUN
admet-835	138	5	of	of	ADP
admet-835	138	6	the	the	DET
admet-835	138	7	classifiers	classifier	NOUN
admet-835	138	8	were	be	AUX
admet-835	138	9	used	use	VERB
admet-835	138	10	here	here	ADV
admet-835	138	11	as	as	SCONJ
admet-835	138	12	tested	test	VERB
admet-835	138	13	on	on	ADP
admet-835	138	14	the	the	DET
admet-835	138	15	internal	internal	ADJ
admet-835	138	16	validation	validation	NOUN
admet-835	138	17	set	set	NOUN
admet-835	138	18	,	,	PUNCT
admet-835	138	19	models	model	NOUN
admet-835	138	20	that	that	PRON
admet-835	138	21	had	have	AUX
admet-835	138	22	already	already	ADV
admet-835	138	23	been	be	AUX
admet-835	138	24	trained	train	VERB
admet-835	138	25	on	on	ADP
admet-835	138	26	the	the	DET
admet-835	138	27	original	original	ADJ
admet-835	138	28	117	117	NUM
admet-835	138	29	-	-	PUNCT
admet-835	138	30	compound	compound	NOUN
admet-835	138	31	training	training	NOUN
admet-835	138	32	set	set	NOUN
admet-835	138	33	.	.	PUNCT
admet-835	139	1	the	the	DET
admet-835	139	2	random	random	ADJ
admet-835	139	3	forest	forest	NOUN
admet-835	139	4	,	,	PUNCT
admet-835	139	5	extra	extra	ADJ
admet-835	139	6	trees	tree	NOUN
admet-835	139	7	,	,	PUNCT
admet-835	139	8	and	and	CCONJ
admet-835	139	9	bagging	bagging	NOUN
admet-835	139	10	predictors	predictor	NOUN
admet-835	139	11	were	be	AUX
admet-835	139	12	used	use	VERB
admet-835	139	13	to	to	PART
admet-835	139	14	predict	predict	VERB
admet-835	139	15	log	log	NOUN
admet-835	139	16	s	s	PRON
admet-835	139	17	for	for	ADP
admet-835	139	18	each	each	PRON
admet-835	139	19	of	of	ADP
admet-835	139	20	the	the	DET
admet-835	139	21	compounds	compound	NOUN
admet-835	139	22	in	in	ADP
admet-835	139	23	the	the	DET
admet-835	139	24	sets	set	NOUN
admet-835	139	25	of	of	ADP
admet-835	139	26	100	100	NUM
admet-835	139	27	and	and	CCONJ
admet-835	139	28	32	32	NUM
admet-835	139	29	molecules	molecule	NOUN
admet-835	139	30	.	.	PUNCT
admet-835	140	1	bagging	bag	VERB
admet-835	140	2	predictions	prediction	NOUN
admet-835	140	3	were	be	AUX
admet-835	140	4	not	not	PART
admet-835	140	5	used	use	VERB
admet-835	140	6	in	in	ADP
admet-835	140	7	their	their	PRON
admet-835	140	8	own	own	ADJ
admet-835	140	9	right	right	NOUN
admet-835	140	10	,	,	PUNCT
admet-835	140	11	but	but	CCONJ
admet-835	140	12	only	only	ADV
admet-835	140	13	to	to	PART
admet-835	140	14	contribute	contribute	VERB
admet-835	140	15	to	to	ADP
admet-835	140	16	the	the	DET
admet-835	140	17	vox	vox	PROPN
admet-835	140	18	machinarum	machinarum	PROPN
admet-835	140	19	predictor	predictor	NOUN
admet-835	140	20	.	.	PUNCT
admet-835	141	1	for	for	ADP
admet-835	141	2	each	each	DET
admet-835	141	3	compound	compound	NOUN
admet-835	141	4	,	,	PUNCT
admet-835	141	5	three	three	NUM
admet-835	141	6	predictions	prediction	NOUN
admet-835	141	7	were	be	AUX
admet-835	141	8	obtained	obtain	VERB
admet-835	141	9	,	,	PUNCT
admet-835	141	10	one	one	NUM
admet-835	141	11	from	from	ADP
admet-835	141	12	each	each	PRON
admet-835	141	13	of	of	ADP
admet-835	141	14	the	the	DET
admet-835	141	15	three	three	NUM
admet-835	141	16	tree	tree	NOUN
admet-835	141	17	-	-	PUNCT
admet-835	141	18	based	base	VERB
admet-835	141	19	classifiers	classifier	NOUN
admet-835	141	20	.	.	PUNCT
admet-835	142	1	the	the	DET
admet-835	142	2	median	median	NOUN
admet-835	142	3	of	of	ADP
admet-835	142	4	these	these	DET
admet-835	142	5	three	three	NUM
admet-835	142	6	predicted	predict	VERB
admet-835	142	7	values	value	NOUN
admet-835	142	8	was	be	AUX
admet-835	142	9	used	use	VERB
admet-835	142	10	as	as	ADP
admet-835	142	11	the	the	DET
admet-835	142	12	vox	vox	PROPN
admet-835	142	13	machinarum	machinarum	PROPN
admet-835	142	14	prediction	prediction	NOUN
admet-835	142	15	for	for	ADP
admet-835	142	16	that	that	DET
admet-835	142	17	compound	compound	NOUN
admet-835	142	18	.	.	PUNCT
admet-835	143	1	three	three	NUM
admet-835	143	2	sets	set	NOUN
admet-835	143	3	of	of	ADP
admet-835	143	4	(	(	PUNCT
admet-835	143	5	100	100	NUM
admet-835	143	6	+	+	NUM
admet-835	143	7	32	32	NUM
admet-835	143	8	)	)	PUNCT
admet-835	143	9	predictions	prediction	NOUN
admet-835	143	10	were	be	AUX
admet-835	143	11	then	then	ADV
admet-835	143	12	submitted	submit	VERB
admet-835	143	13	to	to	ADP
admet-835	143	14	the	the	DET
admet-835	143	15	2019	2019	NUM
admet-835	143	16	solubility	solubility	NOUN
admet-835	143	17	challenge	challenge	NOUN
admet-835	143	18	,	,	PUNCT
admet-835	143	19	one	one	NUM
admet-835	143	20	each	each	DET
admet-835	143	21	for	for	ADP
admet-835	143	22	vox	vox	PROPN
admet-835	143	23	machinarum	machinarum	PROPN
admet-835	143	24	,	,	PUNCT
admet-835	143	25	extra	extra	ADJ
admet-835	143	26	trees	tree	NOUN
admet-835	143	27	,	,	PUNCT
admet-835	143	28	and	and	CCONJ
admet-835	143	29	random	random	ADJ
admet-835	143	30	forest	forest	NOUN
admet-835	143	31	.	.	PUNCT
admet-835	144	1	these	these	DET
admet-835	144	2	sets	set	NOUN
admet-835	144	3	of	of	ADP
admet-835	144	4	predictions	prediction	NOUN
admet-835	144	5	are	be	AUX
admet-835	144	6	given	give	VERB
admet-835	144	7	in	in	ADP
admet-835	144	8	full	full	ADJ
admet-835	144	9	in	in	ADP
admet-835	144	10	tables	table	NOUN
admet-835	144	11	a1	a1	NOUN
admet-835	144	12	&	&	CCONJ
admet-835	144	13	a2	a2	PROPN
admet-835	144	14	.	.	PUNCT
admet-835	145	1	2019	2019	NUM
admet-835	145	2	solubility	solubility	NOUN
admet-835	145	3	challenge	challenge	NOUN
admet-835	145	4	:	:	PUNCT
admet-835	145	5	self	self	NOUN
admet-835	145	6	-	-	PUNCT
admet-835	145	7	assessment	assessment	NOUN
admet-835	145	8	on	on	ADP
admet-835	145	9	(	(	PUNCT
admet-835	145	10	89	89	NUM
admet-835	145	11	+	+	NUM
admet-835	145	12	26	26	NUM
admet-835	145	13	)	)	PUNCT
admet-835	145	14	compounds	compound	NOUN
admet-835	145	15	after	after	SCONJ
admet-835	145	16	these	these	DET
admet-835	145	17	three	three	NUM
admet-835	145	18	entries	entry	NOUN
admet-835	145	19	had	have	AUX
admet-835	145	20	been	be	AUX
admet-835	145	21	submitted	submit	VERB
admet-835	145	22	to	to	ADP
admet-835	145	23	the	the	DET
admet-835	145	24	2019	2019	NUM
admet-835	145	25	solubility	solubility	NOUN
admet-835	145	26	challenge	challenge	NOUN
admet-835	145	27	,	,	PUNCT
admet-835	145	28	a	a	DET
admet-835	145	29	self	self	NOUN
admet-835	145	30	-	-	PUNCT
admet-835	145	31	assessment	assessment	NOUN
admet-835	145	32	exercise	exercise	NOUN
admet-835	145	33	was	be	AUX
admet-835	145	34	carried	carry	VERB
admet-835	145	35	out	out	ADP
admet-835	145	36	.	.	PUNCT
admet-835	146	1	this	this	DET
admet-835	146	2	required	require	VERB
admet-835	146	3	sourcing	sourcing	NOUN
admet-835	146	4	a	a	DET
admet-835	146	5	single	single	ADJ
admet-835	146	6	literature	literature	NOUN
admet-835	146	7	solubility	solubility	NOUN
admet-835	146	8	for	for	ADP
admet-835	146	9	as	as	ADV
admet-835	146	10	many	many	ADJ
admet-835	146	11	as	as	ADP
admet-835	146	12	possible	possible	ADJ
admet-835	146	13	of	of	ADP
admet-835	146	14	the	the	DET
admet-835	146	15	132	132	NUM
admet-835	146	16	test	test	NOUN
admet-835	146	17	compounds	compound	NOUN
admet-835	146	18	.	.	PUNCT
admet-835	147	1	in	in	ADP
admet-835	147	2	addition	addition	NOUN
admet-835	147	3	to	to	ADP
admet-835	147	4	the	the	DET
admet-835	147	5	52	52	NUM
admet-835	147	6	values	value	NOUN
admet-835	147	7	for	for	ADP
admet-835	147	8	test	test	NOUN
admet-835	147	9	compounds	compound	NOUN
admet-835	147	10	that	that	PRON
admet-835	147	11	we	we	PRON
admet-835	147	12	had	have	AUX
admet-835	147	13	previously	previously	ADV
admet-835	147	14	excluded	exclude	VERB
admet-835	147	15	from	from	ADP
admet-835	147	16	our	our	PRON
admet-835	147	17	training	training	NOUN
admet-835	147	18	set	set	NOUN
admet-835	147	19	,	,	PUNCT
admet-835	147	20	a	a	DET
admet-835	147	21	further	further	ADJ
admet-835	147	22	63	63	NUM
admet-835	147	23	literature	literature	NOUN
admet-835	147	24	values	value	NOUN
admet-835	147	25	were	be	AUX
admet-835	147	26	uncovered	uncover	VERB
admet-835	147	27	.	.	PUNCT
admet-835	148	1	thus	thus	ADV
admet-835	148	2	,	,	PUNCT
admet-835	148	3	solubility	solubility	NOUN
admet-835	148	4	values	value	NOUN
admet-835	148	5	were	be	AUX
admet-835	148	6	acquired	acquire	VERB
admet-835	148	7	for	for	ADP
admet-835	148	8	89	89	NUM
admet-835	148	9	compounds	compound	NOUN
admet-835	148	10	from	from	ADP
admet-835	148	11	the	the	DET
admet-835	148	12	low	low	ADJ
admet-835	148	13	-	-	PUNCT
admet-835	148	14	variance	variance	NOUN
admet-835	148	15	set	set	NOUN
admet-835	148	16	and	and	CCONJ
admet-835	148	17	26	26	NUM
admet-835	148	18	compounds	compound	NOUN
admet-835	148	19	from	from	ADP
admet-835	148	20	the	the	DET
admet-835	148	21	high	high	ADJ
admet-835	148	22	-	-	PUNCT
admet-835	148	23	variance	variance	NOUN
admet-835	148	24	set	set	NOUN
admet-835	148	25	,	,	PUNCT
admet-835	148	26	and	and	CCONJ
admet-835	148	27	the	the	DET
admet-835	148	28	set	set	NOUN
admet-835	148	29	of	of	ADP
admet-835	148	30	predictions	prediction	NOUN
admet-835	148	31	assessed	assess	VERB
admet-835	148	32	over	over	ADP
admet-835	148	33	these	these	DET
admet-835	148	34	values	value	NOUN
admet-835	148	35	.	.	PUNCT
admet-835	149	1	for	for	ADP
admet-835	149	2	the	the	DET
admet-835	149	3	tight	tight	ADJ
admet-835	149	4	low	low	ADJ
admet-835	149	5	-	-	PUNCT
admet-835	149	6	variance	variance	NOUN
admet-835	149	7	set	set	NOUN
admet-835	149	8	,	,	PUNCT
admet-835	149	9	we	we	PRON
admet-835	149	10	found	find	VERB
admet-835	149	11	that	that	SCONJ
admet-835	149	12	extra	extra	ADJ
admet-835	149	13	trees	tree	NOUN
admet-835	149	14	was	be	AUX
admet-835	149	15	the	the	DET
admet-835	149	16	most	most	ADV
admet-835	149	17	successful	successful	ADJ
admet-835	149	18	method	method	NOUN
admet-835	149	19	on	on	ADP
admet-835	149	20	all	all	DET
admet-835	149	21	five	five	NUM
admet-835	149	22	of	of	ADP
admet-835	149	23	the	the	DET
admet-835	149	24	criteria	criterion	NOUN
admet-835	149	25	shown	show	VERB
admet-835	149	26	in	in	ADP
admet-835	149	27	table	table	NOUN
admet-835	149	28	2	2	NUM
admet-835	149	29	,	,	PUNCT
admet-835	149	30	with	with	ADP
admet-835	149	31	an	an	DET
admet-835	149	32	rmse	rmse	NOUN
admet-835	149	33	of	of	ADP
admet-835	149	34	0.897	0.897	NUM
admet-835	149	35	log	log	NOUN
admet-835	149	36	s	s	NOUN
admet-835	149	37	units	unit	NOUN
admet-835	149	38	over	over	ADP
admet-835	149	39	the	the	DET
admet-835	149	40	89	89	NUM
admet-835	149	41	compounds	compound	NOUN
admet-835	149	42	for	for	ADP
admet-835	149	43	which	which	PRON
admet-835	149	44	we	we	PRON
admet-835	149	45	had	have	VERB
admet-835	149	46	data	datum	NOUN
admet-835	149	47	.	.	PUNCT
admet-835	150	1	encouragingly	encouragingly	ADV
admet-835	150	2	,	,	PUNCT
admet-835	150	3	the	the	DET
admet-835	150	4	three	three	NUM
admet-835	150	5	methods	method	NOUN
admet-835	150	6	that	that	PRON
admet-835	150	7	had	have	AUX
admet-835	150	8	been	be	AUX
admet-835	150	9	most	most	ADV
admet-835	150	10	successful	successful	ADJ
admet-835	150	11	on	on	ADP
admet-835	150	12	the	the	DET
admet-835	150	13	internal	internal	ADJ
admet-835	150	14	validation	validation	NOUN
admet-835	150	15	set	set	NOUN
admet-835	150	16	,	,	PUNCT
admet-835	150	17	and	and	CCONJ
admet-835	150	18	hence	hence	ADV
admet-835	150	19	had	have	AUX
admet-835	150	20	been	be	AUX
admet-835	150	21	submitted	submit	VERB
admet-835	150	22	to	to	ADP
admet-835	150	23	the	the	DET
admet-835	150	24	challenge	challenge	NOUN
admet-835	150	25	,	,	PUNCT
admet-835	150	26	were	be	AUX
admet-835	150	27	again	again	ADV
admet-835	150	28	the	the	DET
admet-835	150	29	top	top	ADJ
admet-835	150	30	three	three	NUM
admet-835	150	31	ahead	ahead	ADV
admet-835	150	32	of	of	ADP
admet-835	150	33	bagging	bagging	NOUN
admet-835	150	34	in	in	ADP
admet-835	150	35	this	this	DET
admet-835	150	36	exercise	exercise	NOUN
admet-835	150	37	.	.	PUNCT
admet-835	151	1	the	the	DET
admet-835	151	2	predictions	prediction	NOUN
admet-835	151	3	are	be	AUX
admet-835	151	4	plotted	plot	VERB
admet-835	151	5	against	against	ADP
admet-835	151	6	literature	literature	NOUN
admet-835	151	7	solubilities	solubility	NOUN
admet-835	151	8	for	for	ADP
admet-835	151	9	extra	extra	ADJ
admet-835	151	10	trees	tree	NOUN
admet-835	151	11	in	in	ADP
admet-835	151	12	figure	figure	NOUN
admet-835	151	13	1	1	NUM
admet-835	151	14	,	,	PUNCT
admet-835	151	15	random	random	ADJ
admet-835	151	16	forest	forest	NOUN
admet-835	151	17	in	in	ADP
admet-835	151	18	figure	figure	NOUN
admet-835	151	19	a1	a1	NOUN
admet-835	151	20	,	,	PUNCT
admet-835	151	21	vox	vox	PROPN
admet-835	151	22	machinarum	machinarum	PROPN
admet-835	151	23	in	in	ADP
admet-835	151	24	figure	figure	NOUN
admet-835	151	25	a2	a2	PROPN
admet-835	151	26	,	,	PUNCT
admet-835	151	27	and	and	CCONJ
admet-835	151	28	bagging	bagging	NOUN
admet-835	151	29	in	in	ADP
admet-835	151	30	figure	figure	NOUN
admet-835	151	31	a3	a3	NOUN
admet-835	151	32	.	.	PUNCT
admet-835	152	1	for	for	ADP
admet-835	152	2	the	the	DET
admet-835	152	3	26	26	NUM
admet-835	152	4	available	available	ADJ
admet-835	152	5	compounds	compound	NOUN
admet-835	152	6	from	from	ADP
admet-835	152	7	the	the	DET
admet-835	152	8	loose	loose	ADJ
admet-835	152	9	high	high	ADJ
admet-835	152	10	-	-	PUNCT
admet-835	152	11	variance	variance	NOUN
admet-835	152	12	set	set	NOUN
admet-835	152	13	,	,	PUNCT
admet-835	152	14	results	result	NOUN
admet-835	152	15	are	be	AUX
admet-835	152	16	shown	show	VERB
admet-835	152	17	in	in	ADP
admet-835	152	18	figure	figure	NOUN
admet-835	152	19	2	2	NUM
admet-835	152	20	for	for	ADP
admet-835	152	21	extra	extra	ADJ
admet-835	152	22	trees	tree	NOUN
admet-835	152	23	,	,	PUNCT
admet-835	152	24	figures	figure	NOUN
admet-835	152	25	a4	a4	NOUN
admet-835	152	26	-	-	PUNCT
admet-835	152	27	a6	a6	NOUN
admet-835	152	28	for	for	ADP
admet-835	152	29	other	other	ADJ
admet-835	152	30	predictors	predictor	NOUN
admet-835	152	31	,	,	PUNCT
admet-835	152	32	and	and	CCONJ
admet-835	152	33	table	table	NOUN
admet-835	152	34	3	3	X
admet-835	152	35	.	.	PUNCT
admet-835	153	1	it	it	PRON
admet-835	153	2	is	be	AUX
admet-835	153	3	somewhat	somewhat	ADV
admet-835	153	4	surprising	surprising	ADJ
admet-835	153	5	that	that	SCONJ
admet-835	153	6	bagging	bagging	NOUN
admet-835	153	7	,	,	PUNCT
admet-835	153	8	which	which	PRON
admet-835	153	9	we	we	PRON
admet-835	153	10	had	have	AUX
admet-835	153	11	considered	consider	VERB
admet-835	153	12	our	our	PRON
admet-835	153	13	fourth	fourth	ADJ
admet-835	153	14	best	good	ADJ
admet-835	153	15	predictor	predictor	NOUN
admet-835	153	16	,	,	PUNCT
admet-835	153	17	obtained	obtain	VERB
admet-835	153	18	the	the	DET
admet-835	153	19	best	good	ADJ
admet-835	153	20	results	result	NOUN
admet-835	153	21	for	for	ADP
admet-835	153	22	the	the	DET
admet-835	153	23	loose	loose	ADJ
admet-835	153	24	set	set	NOUN
admet-835	153	25	.	.	PUNCT
admet-835	154	1	the	the	DET
admet-835	154	2	mutually	mutually	ADV
admet-835	154	3	similar	similar	ADJ
admet-835	154	4	vox	vox	PROPN
admet-835	154	5	machinarum	machinarum	NOUN
admet-835	154	6	and	and	CCONJ
admet-835	154	7	random	random	ADJ
admet-835	154	8	forest	forest	NOUN
admet-835	154	9	classifiers	classifier	NOUN
admet-835	154	10	were	be	AUX
admet-835	154	11	in	in	ADP
admet-835	154	12	a	a	DET
admet-835	154	13	photo	photo	NOUN
admet-835	154	14	-	-	PUNCT
admet-835	154	15	finish	finish	NOUN
admet-835	154	16	for	for	ADP
admet-835	154	17	second	second	ADJ
admet-835	154	18	place	place	NOUN
admet-835	154	19	and	and	CCONJ
admet-835	154	20	extra	extra	ADJ
admet-835	154	21	trees	tree	NOUN
admet-835	154	22	was	be	AUX
admet-835	154	23	only	only	ADV
admet-835	154	24	fourth	fourth	ADV
admet-835	154	25	best	well	ADV
admet-835	154	26	.	.	PUNCT
admet-835	155	1	the	the	DET
admet-835	155	2	rmse	rmse	ADJ
admet-835	155	3	values	value	NOUN
admet-835	155	4	were	be	AUX
admet-835	155	5	notably	notably	ADV
admet-835	155	6	higher	high	ADJ
admet-835	155	7	,	,	PUNCT
admet-835	155	8	that	that	PRON
admet-835	155	9	is	be	AUX
admet-835	155	10	worse	bad	ADJ
admet-835	155	11	,	,	PUNCT
admet-835	155	12	for	for	ADP
admet-835	155	13	the	the	DET
admet-835	155	14	loose	loose	ADJ
admet-835	155	15	set	set	NOUN
admet-835	155	16	than	than	ADP
admet-835	155	17	for	for	ADP
admet-835	155	18	the	the	DET
admet-835	155	19	tight	tight	ADJ
admet-835	155	20	set	set	NOUN
admet-835	155	21	,	,	PUNCT
admet-835	155	22	and	and	CCONJ
admet-835	155	23	the	the	DET
admet-835	155	24	proportions	proportion	NOUN
admet-835	155	25	of	of	ADP
admet-835	155	26	compounds	compound	NOUN
admet-835	155	27	accurately	accurately	ADV
admet-835	155	28	predicted	predict	VERB
admet-835	155	29	were	be	AUX
admet-835	155	30	correspondingly	correspondingly	ADV
admet-835	155	31	lower	low	ADJ
admet-835	155	32	.	.	PUNCT
admet-835	156	1	admet	admet	PROPN
admet-835	156	2	&	&	CCONJ
admet-835	156	3	dmpk	dmpk	PROPN
admet-835	156	4	8(3	8(3	NUM
admet-835	156	5	)	)	PUNCT
admet-835	156	6	(	(	PUNCT
admet-835	156	7	2020	2020	NUM
admet-835	156	8	)	)	PUNCT
admet-835	156	9	215	215	NUM
admet-835	156	10	-	-	SYM
admet-835	156	11	250	250	NUM
admet-835	156	12	machine	machine	NOUN
admet-835	156	13	learning	learning	NOUN
admet-835	156	14	models	model	NOUN
admet-835	156	15	for	for	ADP
admet-835	156	16	the	the	DET
admet-835	156	17	2019	2019	NUM
admet-835	156	18	solubility	solubility	NOUN
admet-835	156	19	challenge	challenge	NOUN
admet-835	156	20	doi	doi	NOUN
admet-835	156	21	:	:	PUNCT
admet-835	156	22	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	156	23	221	221	NUM
admet-835	156	24	figure	figure	NOUN
admet-835	156	25	1	1	NUM
admet-835	156	26	.	.	PUNCT
admet-835	156	27	extra	extra	ADJ
admet-835	156	28	trees	tree	NOUN
admet-835	156	29	predictions	prediction	NOUN
admet-835	156	30	plotted	plot	VERB
admet-835	156	31	against	against	ADP
admet-835	156	32	our	our	PRON
admet-835	156	33	sourced	source	VERB
admet-835	156	34	literature	literature	NOUN
admet-835	156	35	log	log	NOUN
admet-835	156	36	s	s	PART
admet-835	156	37	values	value	NOUN
admet-835	156	38	(	(	PUNCT
admet-835	156	39	see	see	VERB
admet-835	156	40	table	table	NOUN
admet-835	156	41	a1	a1	NOUN
admet-835	156	42	for	for	ADP
admet-835	156	43	references	reference	NOUN
admet-835	156	44	)	)	PUNCT
admet-835	156	45	for	for	ADP
admet-835	156	46	89	89	NUM
admet-835	156	47	compounds	compound	NOUN
admet-835	156	48	from	from	ADP
admet-835	156	49	the	the	DET
admet-835	156	50	2019	2019	NUM
admet-835	156	51	solubility	solubility	NOUN
admet-835	156	52	challenge	challenge	VERB
admet-835	156	53	tight	tight	ADJ
admet-835	156	54	test	test	NOUN
admet-835	156	55	set	set	NOUN
admet-835	156	56	of	of	ADP
admet-835	156	57	100	100	NUM
admet-835	156	58	molecules	molecule	NOUN
admet-835	156	59	.	.	PUNCT
admet-835	157	1	compounds	compound	NOUN
admet-835	157	2	with	with	ADP
admet-835	157	3	prediction	prediction	NOUN
admet-835	157	4	errors	error	NOUN
admet-835	157	5	of	of	ADP
admet-835	157	6	under	under	ADP
admet-835	157	7	0.5	0.5	NUM
admet-835	157	8	(	(	PUNCT
admet-835	157	9	blue	blue	NOUN
admet-835	157	10	)	)	PUNCT
admet-835	157	11	,	,	PUNCT
admet-835	157	12	0.5	0.5	NUM
admet-835	157	13	to	to	PART
admet-835	157	14	1.0	1.0	NUM
admet-835	157	15	(	(	PUNCT
admet-835	157	16	green	green	NOUN
admet-835	157	17	)	)	PUNCT
admet-835	157	18	,	,	PUNCT
admet-835	157	19	1.0	1.0	NUM
admet-835	157	20	to	to	ADP
admet-835	157	21	2.0	2.0	NUM
admet-835	157	22	(	(	PUNCT
admet-835	157	23	orange	orange	PROPN
admet-835	157	24	)	)	PUNCT
admet-835	157	25	,	,	PUNCT
admet-835	157	26	and	and	CCONJ
admet-835	157	27	over	over	ADP
admet-835	157	28	2.0	2.0	NUM
admet-835	157	29	log	log	NOUN
admet-835	157	30	s	s	NOUN
admet-835	157	31	units	unit	NOUN
admet-835	157	32	(	(	PUNCT
admet-835	157	33	red	red	ADJ
admet-835	157	34	)	)	PUNCT
admet-835	157	35	are	be	AUX
admet-835	157	36	shown	show	VERB
admet-835	157	37	in	in	ADP
admet-835	157	38	their	their	PRON
admet-835	157	39	respective	respective	ADJ
admet-835	157	40	colours	colour	NOUN
admet-835	157	41	.	.	PUNCT
admet-835	158	1	the	the	DET
admet-835	158	2	black	black	ADJ
admet-835	158	3	diagonal	diagonal	ADJ
admet-835	158	4	line	line	NOUN
admet-835	158	5	shows	show	VERB
admet-835	158	6	equality	equality	NOUN
admet-835	158	7	of	of	ADP
admet-835	158	8	predicted	predict	VERB
admet-835	158	9	and	and	CCONJ
admet-835	158	10	experimental	experimental	ADJ
admet-835	158	11	solubilities	solubility	NOUN
admet-835	158	12	,	,	PUNCT
admet-835	158	13	while	while	SCONJ
admet-835	158	14	the	the	DET
admet-835	158	15	grey	grey	ADJ
admet-835	158	16	line	line	NOUN
admet-835	158	17	is	be	AUX
admet-835	158	18	a	a	DET
admet-835	158	19	line	line	NOUN
admet-835	158	20	of	of	ADP
admet-835	158	21	best	good	ADJ
admet-835	158	22	fit	fit	ADJ
admet-835	158	23	to	to	ADP
admet-835	158	24	the	the	DET
admet-835	158	25	data	datum	NOUN
admet-835	158	26	.	.	PUNCT
admet-835	159	1	figure	figure	NOUN
admet-835	159	2	2	2	NUM
admet-835	159	3	.	.	PUNCT
admet-835	159	4	extra	extra	ADJ
admet-835	159	5	trees	tree	NOUN
admet-835	159	6	predictions	prediction	NOUN
admet-835	159	7	plotted	plot	VERB
admet-835	159	8	against	against	ADP
admet-835	159	9	our	our	PRON
admet-835	159	10	sourced	source	VERB
admet-835	159	11	literature	literature	NOUN
admet-835	159	12	log	log	NOUN
admet-835	159	13	s	s	PART
admet-835	159	14	values	value	NOUN
admet-835	159	15	(	(	PUNCT
admet-835	159	16	see	see	VERB
admet-835	159	17	table	table	NOUN
admet-835	159	18	a2	a2	PROPN
admet-835	159	19	for	for	ADP
admet-835	159	20	references	reference	NOUN
admet-835	159	21	)	)	PUNCT
admet-835	159	22	for	for	ADP
admet-835	159	23	26	26	NUM
admet-835	159	24	compounds	compound	NOUN
admet-835	159	25	from	from	ADP
admet-835	159	26	the	the	DET
admet-835	159	27	2019	2019	NUM
admet-835	159	28	solubility	solubility	NOUN
admet-835	159	29	challenge	challenge	NOUN
admet-835	159	30	loose	loose	ADJ
admet-835	159	31	test	test	NOUN
admet-835	159	32	set	set	NOUN
admet-835	159	33	of	of	ADP
admet-835	159	34	32	32	NUM
admet-835	159	35	molecules	molecule	NOUN
admet-835	159	36	.	.	PUNCT
admet-835	160	1	compounds	compound	NOUN
admet-835	160	2	with	with	ADP
admet-835	160	3	prediction	prediction	NOUN
admet-835	160	4	errors	error	NOUN
admet-835	160	5	of	of	ADP
admet-835	160	6	under	under	ADP
admet-835	160	7	0.5	0.5	NUM
admet-835	160	8	(	(	PUNCT
admet-835	160	9	blue	blue	NOUN
admet-835	160	10	)	)	PUNCT
admet-835	160	11	,	,	PUNCT
admet-835	160	12	0.5	0.5	NUM
admet-835	160	13	to	to	PART
admet-835	160	14	1.0	1.0	NUM
admet-835	160	15	(	(	PUNCT
admet-835	160	16	green	green	NOUN
admet-835	160	17	)	)	PUNCT
admet-835	160	18	,	,	PUNCT
admet-835	160	19	1.0	1.0	NUM
admet-835	160	20	to	to	ADP
admet-835	160	21	2.0	2.0	NUM
admet-835	160	22	(	(	PUNCT
admet-835	160	23	orange	orange	PROPN
admet-835	160	24	)	)	PUNCT
admet-835	160	25	,	,	PUNCT
admet-835	160	26	and	and	CCONJ
admet-835	160	27	over	over	ADP
admet-835	160	28	2.0	2.0	NUM
admet-835	160	29	log	log	NOUN
admet-835	160	30	s	s	NOUN
admet-835	160	31	units	unit	NOUN
admet-835	160	32	(	(	PUNCT
admet-835	160	33	red	red	ADJ
admet-835	160	34	)	)	PUNCT
admet-835	160	35	are	be	AUX
admet-835	160	36	shown	show	VERB
admet-835	160	37	in	in	ADP
admet-835	160	38	their	their	PRON
admet-835	160	39	respective	respective	ADJ
admet-835	160	40	colours	colour	NOUN
admet-835	160	41	.	.	PUNCT
admet-835	161	1	the	the	DET
admet-835	161	2	black	black	ADJ
admet-835	161	3	diagonal	diagonal	ADJ
admet-835	161	4	line	line	NOUN
admet-835	161	5	shows	show	VERB
admet-835	161	6	equality	equality	NOUN
admet-835	161	7	of	of	ADP
admet-835	161	8	predicted	predict	VERB
admet-835	161	9	and	and	CCONJ
admet-835	161	10	experimental	experimental	ADJ
admet-835	161	11	solubilities	solubility	NOUN
admet-835	161	12	,	,	PUNCT
admet-835	161	13	while	while	SCONJ
admet-835	161	14	the	the	DET
admet-835	161	15	grey	grey	ADJ
admet-835	161	16	line	line	NOUN
admet-835	161	17	is	be	AUX
admet-835	161	18	a	a	DET
admet-835	161	19	line	line	NOUN
admet-835	161	20	of	of	ADP
admet-835	161	21	best	good	ADJ
admet-835	161	22	fit	fit	ADJ
admet-835	161	23	to	to	ADP
admet-835	161	24	the	the	DET
admet-835	161	25	data	datum	NOUN
admet-835	161	26	.	.	PUNCT
admet-835	162	1	the	the	DET
admet-835	162	2	large	large	ADJ
admet-835	162	3	outlier	outlier	NOUN
admet-835	162	4	is	be	AUX
admet-835	162	5	bisoprolol	bisoprolol	NOUN
admet-835	162	6	,	,	PUNCT
admet-835	162	7	as	as	SCONJ
admet-835	162	8	discussed	discuss	VERB
admet-835	162	9	in	in	ADP
admet-835	162	10	the	the	DET
admet-835	162	11	text	text	NOUN
admet-835	162	12	.	.	PUNCT
admet-835	163	1	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	PROPN
admet-835	163	2	john	john	PROPN
admet-835	163	3	b.	b.	PROPN
admet-835	163	4	o.	o.	PROPN
admet-835	163	5	mitchell	mitchell	PROPN
admet-835	163	6	admet	admet	PROPN
admet-835	163	7	&	&	CCONJ
admet-835	163	8	dmpk	dmpk	PROPN
admet-835	163	9	8(3	8(3	NUM
admet-835	163	10	)	)	PUNCT
admet-835	163	11	(	(	PUNCT
admet-835	163	12	2020	2020	NUM
admet-835	163	13	)	)	PUNCT
admet-835	163	14	215	215	NUM
admet-835	163	15	-	-	SYM
admet-835	163	16	250	250	NUM
admet-835	163	17	222	222	NUM
admet-835	163	18	table	table	NOUN
admet-835	163	19	2	2	NUM
admet-835	163	20	.	.	PUNCT
admet-835	163	21	statistical	statistical	ADJ
admet-835	163	22	evaluations	evaluation	NOUN
admet-835	163	23	of	of	ADP
admet-835	163	24	predictions	prediction	NOUN
admet-835	163	25	for	for	ADP
admet-835	163	26	the	the	DET
admet-835	163	27	extra	extra	ADJ
admet-835	163	28	trees	tree	NOUN
admet-835	163	29	,	,	PUNCT
admet-835	163	30	random	random	ADJ
admet-835	163	31	forest	forest	NOUN
admet-835	163	32	and	and	CCONJ
admet-835	163	33	bagging	bagging	NOUN
admet-835	163	34	predictors	predictor	NOUN
admet-835	163	35	and	and	CCONJ
admet-835	163	36	for	for	ADP
admet-835	163	37	the	the	DET
admet-835	163	38	vox	vox	PROPN
admet-835	163	39	machinarum	machinarum	PROPN
admet-835	163	40	consensus	consensus	NOUN
admet-835	163	41	classifier	classifier	NOUN
admet-835	163	42	over	over	ADP
admet-835	163	43	our	our	PRON
admet-835	163	44	sourced	source	VERB
admet-835	163	45	literature	literature	NOUN
admet-835	163	46	logs	log	NOUN
admet-835	163	47	values	value	NOUN
admet-835	163	48	(	(	PUNCT
admet-835	163	49	see	see	VERB
admet-835	163	50	table	table	NOUN
admet-835	163	51	a1	a1	NOUN
admet-835	163	52	for	for	ADP
admet-835	163	53	references	reference	NOUN
admet-835	163	54	)	)	PUNCT
admet-835	163	55	for	for	ADP
admet-835	163	56	89	89	NUM
admet-835	163	57	compounds	compound	NOUN
admet-835	163	58	from	from	ADP
admet-835	163	59	the	the	DET
admet-835	163	60	2019	2019	NUM
admet-835	163	61	solubility	solubility	NOUN
admet-835	163	62	challenge	challenge	VERB
admet-835	163	63	tight	tight	ADJ
admet-835	163	64	test	test	NOUN
admet-835	163	65	set	set	NOUN
admet-835	163	66	of	of	ADP
admet-835	163	67	100	100	NUM
admet-835	163	68	molecules	molecule	NOUN
admet-835	163	69	.	.	PUNCT
admet-835	164	1	the	the	DET
admet-835	164	2	vox	vox	PROPN
admet-835	164	3	machinarum	machinarum	PROPN
admet-835	164	4	predictions	prediction	NOUN
admet-835	164	5	reported	report	VERB
admet-835	164	6	here	here	ADV
admet-835	164	7	were	be	AUX
admet-835	164	8	the	the	DET
admet-835	164	9	median	median	NOUN
admet-835	164	10	of	of	ADP
admet-835	164	11	the	the	DET
admet-835	164	12	other	other	ADJ
admet-835	164	13	three	three	NUM
admet-835	164	14	classifiers	classifier	NOUN
admet-835	164	15	’	’	PART
admet-835	164	16	predictions	prediction	NOUN
admet-835	164	17	for	for	ADP
admet-835	164	18	each	each	DET
admet-835	164	19	compound	compound	NOUN
admet-835	164	20	.	.	PUNCT
admet-835	165	1	the	the	DET
admet-835	165	2	standard	standard	ADJ
admet-835	165	3	deviation	deviation	NOUN
admet-835	165	4	of	of	ADP
admet-835	165	5	the	the	DET
admet-835	165	6	89	89	NUM
admet-835	165	7	compounds	compound	NOUN
admet-835	165	8	’	'	PUNCT
admet-835	165	9	log	log	NOUN
admet-835	165	10	s	s	NOUN
admet-835	165	11	values	value	NOUN
admet-835	165	12	is	be	AUX
admet-835	165	13	1.102	1.102	NUM
admet-835	165	14	.	.	PUNCT
admet-835	166	1	here	here	ADV
admet-835	166	2	and	and	CCONJ
admet-835	166	3	in	in	ADP
admet-835	166	4	subsequent	subsequent	ADJ
admet-835	166	5	tables	table	NOUN
admet-835	166	6	,	,	PUNCT
admet-835	166	7	sd	sd	ADP
admet-835	166	8	values	value	NOUN
admet-835	166	9	are	be	AUX
admet-835	166	10	calculated	calculate	VERB
admet-835	166	11	using	use	VERB
admet-835	166	12	the	the	DET
admet-835	166	13	denominator	denominator	NOUN
admet-835	166	14	n	n	NOUN
admet-835	166	15	for	for	ADP
admet-835	166	16	consistency	consistency	NOUN
admet-835	166	17	with	with	ADP
admet-835	166	18	the	the	DET
admet-835	166	19	definition	definition	NOUN
admet-835	166	20	of	of	ADP
admet-835	166	21	rmse	rmse	NOUN
admet-835	166	22	.	.	PUNCT
admet-835	167	1	this	this	PRON
admet-835	167	2	is	be	AUX
admet-835	167	3	equivalent	equivalent	ADJ
admet-835	167	4	to	to	ADP
admet-835	167	5	calculating	calculate	VERB
admet-835	167	6	the	the	DET
admet-835	167	7	standard	standard	ADJ
admet-835	167	8	deviation	deviation	NOUN
admet-835	167	9	of	of	ADP
admet-835	167	10	a	a	DET
admet-835	167	11	small	small	ADJ
admet-835	167	12	set	set	NOUN
admet-835	167	13	of	of	ADP
admet-835	167	14	solubilities	solubility	NOUN
admet-835	167	15	rather	rather	ADV
admet-835	167	16	than	than	ADP
admet-835	167	17	using	use	VERB
admet-835	167	18	the	the	DET
admet-835	167	19	bessel	bessel	ADJ
admet-835	167	20	correction	correction	NOUN
admet-835	167	21	to	to	PART
admet-835	167	22	emulate	emulate	VERB
admet-835	167	23	the	the	DET
admet-835	167	24	properties	property	NOUN
admet-835	167	25	of	of	ADP
admet-835	167	26	the	the	DET
admet-835	167	27	notional	notional	ADJ
admet-835	167	28	larger	large	ADJ
admet-835	167	29	distribution	distribution	NOUN
admet-835	167	30	from	from	ADP
admet-835	167	31	which	which	PRON
admet-835	167	32	they	they	PRON
admet-835	167	33	might	might	AUX
admet-835	167	34	be	be	AUX
admet-835	167	35	drawn	draw	VERB
admet-835	167	36	.	.	PUNCT
admet-835	168	1	method	method	PROPN
admet-835	168	2	rmse	rmse	PROPN
admet-835	168	3	rmse	rmse	PROPN
admet-835	168	4	/	/	SYM
admet-835	168	5	sd	sd	NOUN
admet-835	168	6	aae	aae	PROPN
admet-835	168	7	r	r	NOUN
admet-835	168	8	2	2	NUM
admet-835	168	9	err	err	NOUN
admet-835	168	10	<	<	X
admet-835	168	11	0.5	0.5	NUM
admet-835	168	12	err	err	NOUN
admet-835	168	13	<	<	X
admet-835	168	14	1.0	1.0	NUM
admet-835	168	15	extra	extra	ADJ
admet-835	168	16	trees	tree	NOUN
admet-835	169	1	0.897	0.897	NUM
admet-835	169	2	0.814	0.814	NUM
admet-835	169	3	0.670	0.670	NUM
admet-835	169	4	0.363	0.363	NUM
admet-835	169	5	46	46	NUM
admet-835	170	1	(	(	PUNCT
admet-835	170	2	52	52	NUM
admet-835	170	3	%	%	NOUN
admet-835	170	4	)	)	PUNCT
admet-835	170	5	70	70	NUM
admet-835	170	6	(	(	PUNCT
admet-835	170	7	79	79	NUM
admet-835	170	8	%	%	NOUN
admet-835	170	9	)	)	PUNCT
admet-835	170	10	random	random	ADJ
admet-835	170	11	forest	forest	NOUN
admet-835	170	12	0.958	0.958	NUM
admet-835	170	13	0.869	0.869	NUM
admet-835	170	14	0.739	0.739	NUM
admet-835	170	15	0.305	0.305	NUM
admet-835	170	16	40	40	NUM
admet-835	170	17	(	(	PUNCT
admet-835	170	18	45	45	NUM
admet-835	170	19	%	%	NOUN
admet-835	170	20	)	)	PUNCT
admet-835	170	21	67	67	NUM
admet-835	170	22	(	(	PUNCT
admet-835	170	23	75	75	NUM
admet-835	170	24	%	%	NOUN
admet-835	170	25	)	)	PUNCT
admet-835	170	26	bagging	bag	VERB
admet-835	170	27	1.009	1.009	NUM
admet-835	170	28	0.915	0.915	NUM
admet-835	170	29	0.785	0.785	NUM
admet-835	170	30	0.277	0.277	NUM
admet-835	170	31	35	35	NUM
admet-835	170	32	(	(	PUNCT
admet-835	170	33	39	39	NUM
admet-835	170	34	%	%	NOUN
admet-835	170	35	)	)	PUNCT
admet-835	170	36	59	59	NUM
admet-835	170	37	(	(	PUNCT
admet-835	170	38	66	66	NUM
admet-835	170	39	%	%	NOUN
admet-835	170	40	)	)	PUNCT
admet-835	171	1	vox	vox	PROPN
admet-835	171	2	machinarum	machinarum	PROPN
admet-835	171	3	0.945	0.945	NUM
admet-835	171	4	0.858	0.858	NUM
admet-835	171	5	0.726	0.726	NUM
admet-835	171	6	0.319	0.319	NUM
admet-835	171	7	41	41	NUM
admet-835	171	8	(	(	PUNCT
admet-835	171	9	46	46	NUM
admet-835	171	10	%	%	NOUN
admet-835	171	11	)	)	PUNCT
admet-835	171	12	67	67	NUM
admet-835	171	13	(	(	PUNCT
admet-835	171	14	75	75	NUM
admet-835	171	15	%	%	NOUN
admet-835	171	16	)	)	PUNCT
admet-835	171	17	table	table	NOUN
admet-835	172	1	3	3	NUM
admet-835	172	2	.	.	PUNCT
admet-835	172	3	statistical	statistical	ADJ
admet-835	172	4	evaluations	evaluation	NOUN
admet-835	172	5	of	of	ADP
admet-835	172	6	predictions	prediction	NOUN
admet-835	172	7	for	for	ADP
admet-835	172	8	the	the	DET
admet-835	172	9	extra	extra	ADJ
admet-835	172	10	trees	tree	NOUN
admet-835	172	11	,	,	PUNCT
admet-835	172	12	random	random	ADJ
admet-835	172	13	forest	forest	NOUN
admet-835	172	14	and	and	CCONJ
admet-835	172	15	bagging	bagging	NOUN
admet-835	172	16	predictors	predictor	NOUN
admet-835	172	17	and	and	CCONJ
admet-835	172	18	for	for	ADP
admet-835	172	19	the	the	DET
admet-835	172	20	vox	vox	PROPN
admet-835	172	21	machinarum	machinarum	PROPN
admet-835	172	22	consensus	consensus	NOUN
admet-835	172	23	classifier	classifier	NOUN
admet-835	172	24	over	over	ADP
admet-835	172	25	our	our	PRON
admet-835	172	26	sourced	source	VERB
admet-835	172	27	literature	literature	NOUN
admet-835	172	28	logs	log	NOUN
admet-835	172	29	values	value	NOUN
admet-835	172	30	(	(	PUNCT
admet-835	172	31	see	see	VERB
admet-835	172	32	table	table	NOUN
admet-835	172	33	a2	a2	PROPN
admet-835	172	34	for	for	ADP
admet-835	172	35	references	reference	NOUN
admet-835	172	36	)	)	PUNCT
admet-835	172	37	for	for	ADP
admet-835	172	38	26	26	NUM
admet-835	172	39	compounds	compound	NOUN
admet-835	172	40	from	from	ADP
admet-835	172	41	the	the	DET
admet-835	172	42	2019	2019	NUM
admet-835	172	43	solubility	solubility	NOUN
admet-835	172	44	challenge	challenge	NOUN
admet-835	172	45	loose	loose	ADJ
admet-835	172	46	test	test	NOUN
admet-835	172	47	set	set	NOUN
admet-835	172	48	of	of	ADP
admet-835	172	49	32	32	NUM
admet-835	172	50	molecules	molecule	NOUN
admet-835	172	51	.	.	PUNCT
admet-835	173	1	the	the	DET
admet-835	173	2	vox	vox	PROPN
admet-835	173	3	machinarum	machinarum	PROPN
admet-835	173	4	predictions	prediction	NOUN
admet-835	173	5	reported	report	VERB
admet-835	173	6	here	here	ADV
admet-835	173	7	were	be	AUX
admet-835	173	8	the	the	DET
admet-835	173	9	median	median	NOUN
admet-835	173	10	of	of	ADP
admet-835	173	11	the	the	DET
admet-835	173	12	other	other	ADJ
admet-835	173	13	three	three	NUM
admet-835	173	14	classifiers	classifier	NOUN
admet-835	173	15	’	’	PART
admet-835	173	16	predictions	prediction	NOUN
admet-835	173	17	for	for	ADP
admet-835	173	18	each	each	DET
admet-835	173	19	compound	compound	NOUN
admet-835	173	20	.	.	PUNCT
admet-835	174	1	the	the	DET
admet-835	174	2	standard	standard	ADJ
admet-835	174	3	deviation	deviation	NOUN
admet-835	174	4	of	of	ADP
admet-835	174	5	the	the	DET
admet-835	174	6	26	26	NUM
admet-835	174	7	compounds	compound	NOUN
admet-835	174	8	’	'	PUNCT
admet-835	174	9	logs	log	NOUN
admet-835	174	10	values	value	NOUN
admet-835	174	11	is	be	AUX
admet-835	174	12	2.006	2.006	NUM
admet-835	174	13	.	.	PUNCT
admet-835	175	1	method	method	PROPN
admet-835	175	2	rmse	rmse	PROPN
admet-835	175	3	rmse	rmse	PROPN
admet-835	175	4	/	/	SYM
admet-835	175	5	sd	sd	NOUN
admet-835	175	6	aae	aae	PROPN
admet-835	175	7	r	r	NOUN
admet-835	175	8	2	2	NUM
admet-835	175	9	err	err	NOUN
admet-835	175	10	<	<	X
admet-835	175	11	0.5	0.5	NUM
admet-835	175	12	err	err	NOUN
admet-835	175	13	<	<	X
admet-835	175	14	1.0	1.0	NUM
admet-835	175	15	extra	extra	ADJ
admet-835	175	16	trees	tree	NOUN
admet-835	175	17	1.716	1.716	NUM
admet-835	175	18	0.856	0.856	NUM
admet-835	175	19	1.226	1.226	NUM
admet-835	175	20	0.349	0.349	NUM
admet-835	175	21	7	7	NUM
admet-835	175	22	(	(	PUNCT
admet-835	175	23	27	27	NUM
admet-835	175	24	%	%	NOUN
admet-835	175	25	)	)	PUNCT
admet-835	175	26	12	12	NUM
admet-835	175	27	(	(	PUNCT
admet-835	175	28	46	46	NUM
admet-835	175	29	%	%	NOUN
admet-835	175	30	)	)	PUNCT
admet-835	175	31	random	random	ADJ
admet-835	175	32	forest	forest	NOUN
admet-835	175	33	1.619	1.619	NUM
admet-835	175	34	0.807	0.807	NUM
admet-835	175	35	1.160	1.160	NUM
admet-835	175	36	0.427	0.427	NUM
admet-835	175	37	7	7	NUM
admet-835	175	38	(	(	PUNCT
admet-835	175	39	27	27	NUM
admet-835	175	40	%	%	NOUN
admet-835	175	41	)	)	PUNCT
admet-835	175	42	15	15	NUM
admet-835	175	43	(	(	PUNCT
admet-835	175	44	58	58	NUM
admet-835	175	45	%	%	NOUN
admet-835	175	46	)	)	PUNCT
admet-835	175	47	bagging	bag	VERB
admet-835	175	48	1.558	1.558	NUM
admet-835	175	49	0.777	0.777	NUM
admet-835	175	50	1.119	1.119	NUM
admet-835	175	51	0.482	0.482	NUM
admet-835	175	52	7	7	NUM
admet-835	175	53	(	(	PUNCT
admet-835	175	54	27	27	NUM
admet-835	175	55	%	%	NOUN
admet-835	175	56	)	)	PUNCT
admet-835	175	57	16	16	NUM
admet-835	175	58	(	(	PUNCT
admet-835	175	59	62	62	NUM
admet-835	175	60	%	%	NOUN
admet-835	175	61	)	)	PUNCT
admet-835	176	1	vox	vox	PROPN
admet-835	176	2	machinarum	machinarum	VERB
admet-835	176	3	1.617	1.617	NUM
admet-835	176	4	0.806	0.806	NUM
admet-835	176	5	1.158	1.158	NUM
admet-835	176	6	0.429	0.429	NUM
admet-835	176	7	7	7	NUM
admet-835	176	8	(	(	PUNCT
admet-835	176	9	27	27	NUM
admet-835	176	10	%	%	NOUN
admet-835	176	11	)	)	PUNCT
admet-835	176	12	15	15	NUM
admet-835	176	13	(	(	PUNCT
admet-835	176	14	58	58	NUM
admet-835	176	15	%	%	NOUN
admet-835	176	16	)	)	PUNCT
admet-835	176	17	2019	2019	NUM
admet-835	176	18	solubility	solubility	NOUN
admet-835	176	19	challenge	challenge	NOUN
admet-835	176	20	:	:	PUNCT
admet-835	176	21	self	self	NOUN
admet-835	176	22	-	-	PUNCT
admet-835	176	23	assessment	assessment	NOUN
admet-835	176	24	on	on	ADP
admet-835	176	25	(	(	PUNCT
admet-835	176	26	100	100	NUM
admet-835	176	27	+	+	NUM
admet-835	176	28	32	32	NUM
admet-835	176	29	)	)	PUNCT
admet-835	176	30	compounds	compound	NOUN
admet-835	176	31	following	follow	VERB
admet-835	176	32	the	the	DET
admet-835	176	33	completion	completion	NOUN
admet-835	176	34	of	of	ADP
admet-835	176	35	this	this	DET
admet-835	176	36	first	first	ADJ
admet-835	176	37	self	self	NOUN
admet-835	176	38	-	-	PUNCT
admet-835	176	39	assessment	assessment	NOUN
admet-835	176	40	exercise	exercise	NOUN
admet-835	176	41	,	,	PUNCT
admet-835	176	42	avdeef	avdeef	PROPN
admet-835	176	43	published	publish	VERB
admet-835	176	44	a	a	DET
admet-835	176	45	paper	paper	NOUN
admet-835	176	46	in	in	ADP
admet-835	176	47	admet	admet	PROPN
admet-835	176	48	&	&	CCONJ
admet-835	176	49	dmpk	dmpk	PROPN
admet-835	176	50	which	which	PRON
admet-835	176	51	revealed	reveal	VERB
admet-835	176	52	the	the	DET
admet-835	176	53	‘	'	PUNCT
admet-835	176	54	gold	gold	ADJ
admet-835	176	55	standard	standard	NOUN
admet-835	176	56	’	'	PUNCT
admet-835	176	57	average	average	ADJ
admet-835	176	58	solubility	solubility	NOUN
admet-835	176	59	values	value	NOUN
admet-835	176	60	for	for	ADP
admet-835	176	61	all	all	DET
admet-835	176	62	132	132	NUM
admet-835	176	63	compounds	compound	NOUN
admet-835	176	64	in	in	ADP
admet-835	176	65	the	the	DET
admet-835	176	66	challenge	challenge	NOUN
admet-835	176	67	[	[	X
admet-835	176	68	45	45	NUM
admet-835	176	69	]	]	PUNCT
admet-835	176	70	.	.	PUNCT
admet-835	177	1	this	this	PRON
admet-835	177	2	facilitated	facilitate	VERB
admet-835	177	3	the	the	DET
admet-835	177	4	repetition	repetition	NOUN
admet-835	177	5	of	of	ADP
admet-835	177	6	the	the	DET
admet-835	177	7	previous	previous	ADJ
admet-835	177	8	self	self	NOUN
admet-835	177	9	-	-	PUNCT
admet-835	177	10	assessment	assessment	NOUN
admet-835	177	11	exercise	exercise	NOUN
admet-835	177	12	on	on	ADP
admet-835	177	13	the	the	DET
admet-835	177	14	full	full	ADJ
admet-835	177	15	sets	set	NOUN
admet-835	177	16	of	of	ADP
admet-835	177	17	100	100	NUM
admet-835	177	18	and	and	CCONJ
admet-835	177	19	32	32	NUM
admet-835	177	20	compounds	compound	NOUN
admet-835	177	21	.	.	PUNCT
admet-835	178	1	for	for	ADP
admet-835	178	2	the	the	DET
admet-835	178	3	100	100	NUM
admet-835	178	4	-	-	PUNCT
admet-835	178	5	compound	compound	NOUN
admet-835	178	6	tight	tight	ADJ
admet-835	178	7	set	set	NOUN
admet-835	178	8	,	,	PUNCT
admet-835	178	9	the	the	DET
admet-835	178	10	relative	relative	ADJ
admet-835	178	11	performances	performance	NOUN
admet-835	178	12	of	of	ADP
admet-835	178	13	the	the	DET
admet-835	178	14	classifiers	classifier	NOUN
admet-835	178	15	ranked	rank	VERB
admet-835	178	16	in	in	ADP
admet-835	178	17	the	the	DET
admet-835	178	18	same	same	ADJ
admet-835	178	19	order	order	NOUN
admet-835	178	20	as	as	SCONJ
admet-835	178	21	they	they	PRON
admet-835	178	22	had	have	AUX
admet-835	178	23	done	do	VERB
admet-835	178	24	previously	previously	ADV
admet-835	178	25	:	:	PUNCT
admet-835	178	26	extra	extra	ADJ
admet-835	178	27	trees	tree	NOUN
admet-835	178	28	first	first	ADV
admet-835	178	29	,	,	PUNCT
admet-835	178	30	then	then	ADV
admet-835	178	31	vox	vox	PROPN
admet-835	178	32	machinarum	machinarum	PROPN
admet-835	178	33	,	,	PUNCT
admet-835	178	34	random	random	ADJ
admet-835	178	35	forest	forest	NOUN
admet-835	178	36	,	,	PUNCT
admet-835	178	37	and	and	CCONJ
admet-835	178	38	lastly	lastly	ADV
admet-835	178	39	bagging	bag	VERB
admet-835	178	40	.	.	PUNCT
admet-835	179	1	however	however	ADV
admet-835	179	2	,	,	PUNCT
admet-835	179	3	most	most	ADJ
admet-835	179	4	measures	measure	NOUN
admet-835	179	5	of	of	ADP
admet-835	179	6	classifier	classifier	NOUN
admet-835	179	7	quality	quality	NOUN
admet-835	179	8	consistently	consistently	ADV
admet-835	179	9	declined	decline	VERB
admet-835	179	10	,	,	PUNCT
admet-835	179	11	though	though	SCONJ
admet-835	179	12	the	the	DET
admet-835	179	13	r2	r2	PROPN
admet-835	179	14	values	value	NOUN
admet-835	179	15	were	be	AUX
admet-835	179	16	better	well	ADJ
admet-835	179	17	for	for	ADP
admet-835	179	18	avdeef	avdeef	PROPN
admet-835	179	19	’s	’s	PART
admet-835	179	20	solubilities	solubility	NOUN
admet-835	179	21	over	over	ADP
admet-835	179	22	100	100	NUM
admet-835	179	23	compounds	compound	NOUN
admet-835	179	24	than	than	ADP
admet-835	179	25	for	for	ADP
admet-835	179	26	literature	literature	NOUN
admet-835	179	27	values	value	NOUN
admet-835	179	28	over	over	ADP
admet-835	179	29	89	89	NUM
admet-835	179	30	.	.	PUNCT
admet-835	180	1	for	for	ADP
admet-835	180	2	65	65	NUM
admet-835	180	3	of	of	ADP
admet-835	180	4	the	the	DET
admet-835	180	5	100	100	NUM
admet-835	180	6	compounds	compound	NOUN
admet-835	180	7	,	,	PUNCT
admet-835	180	8	the	the	DET
admet-835	180	9	random	random	ADJ
admet-835	180	10	forest	forest	NOUN
admet-835	180	11	predicted	predict	VERB
admet-835	180	12	solubility	solubility	NOUN
admet-835	180	13	was	be	AUX
admet-835	180	14	the	the	DET
admet-835	180	15	second	second	ADJ
admet-835	180	16	highest	high	ADJ
admet-835	180	17	of	of	ADP
admet-835	180	18	the	the	DET
admet-835	180	19	three	three	NUM
admet-835	180	20	individual	individual	ADJ
admet-835	180	21	classifiers	classifier	NOUN
admet-835	180	22	,	,	PUNCT
admet-835	180	23	and	and	CCONJ
admet-835	180	24	thus	thus	ADV
admet-835	180	25	equivalent	equivalent	ADJ
admet-835	180	26	to	to	ADP
admet-835	180	27	the	the	DET
admet-835	180	28	vox	vox	PROPN
admet-835	180	29	machinarum	machinarum	PROPN
admet-835	180	30	median	median	PROPN
admet-835	180	31	prediction	prediction	NOUN
admet-835	180	32	.	.	PUNCT
admet-835	181	1	results	result	NOUN
admet-835	181	2	are	be	AUX
admet-835	181	3	shown	show	VERB
admet-835	181	4	in	in	ADP
admet-835	181	5	table	table	NOUN
admet-835	181	6	4	4	NUM
admet-835	181	7	for	for	ADP
admet-835	181	8	all	all	DET
admet-835	181	9	classifiers	classifier	NOUN
admet-835	181	10	,	,	PUNCT
admet-835	181	11	figure	figure	VERB
admet-835	181	12	3	3	NUM
admet-835	181	13	for	for	ADP
admet-835	181	14	extra	extra	ADJ
admet-835	181	15	trees	tree	NOUN
admet-835	181	16	,	,	PUNCT
admet-835	181	17	figure	figure	NOUN
admet-835	181	18	a7	a7	PROPN
admet-835	181	19	for	for	ADP
admet-835	181	20	random	random	ADJ
admet-835	181	21	forest	forest	NOUN
admet-835	181	22	,	,	PUNCT
admet-835	181	23	figure	figure	NOUN
admet-835	181	24	a8	a8	PROPN
admet-835	181	25	for	for	ADP
admet-835	181	26	vox	vox	PROPN
admet-835	181	27	machinarum	machinarum	PROPN
admet-835	181	28	,	,	PUNCT
admet-835	181	29	and	and	CCONJ
admet-835	181	30	figure	figure	VERB
admet-835	181	31	a9	a9	NOUN
admet-835	181	32	for	for	ADP
admet-835	181	33	bagging	bagging	NOUN
admet-835	181	34	.	.	PUNCT
admet-835	182	1	table	table	NOUN
admet-835	182	2	4	4	NUM
admet-835	182	3	.	.	PUNCT
admet-835	183	1	statistical	statistical	ADJ
admet-835	183	2	evaluations	evaluation	NOUN
admet-835	183	3	of	of	ADP
admet-835	183	4	predictions	prediction	NOUN
admet-835	183	5	for	for	ADP
admet-835	183	6	the	the	DET
admet-835	183	7	extra	extra	ADJ
admet-835	183	8	trees	tree	NOUN
admet-835	183	9	,	,	PUNCT
admet-835	183	10	random	random	ADJ
admet-835	183	11	forest	forest	NOUN
admet-835	183	12	and	and	CCONJ
admet-835	183	13	bagging	bagging	NOUN
admet-835	183	14	predictors	predictor	NOUN
admet-835	183	15	and	and	CCONJ
admet-835	183	16	for	for	ADP
admet-835	183	17	the	the	DET
admet-835	183	18	vox	vox	PROPN
admet-835	183	19	machinarum	machinarum	PROPN
admet-835	183	20	consensus	consensus	NOUN
admet-835	183	21	classifier	classifier	NOUN
admet-835	183	22	over	over	ADP
admet-835	183	23	avdeef	avdeef	PROPN
admet-835	183	24	’s	’s	PART
admet-835	183	25	average	average	ADJ
admet-835	183	26	logs	log	NOUN
admet-835	183	27	values	value	NOUN
admet-835	183	28	[	[	X
admet-835	183	29	45	45	NUM
admet-835	183	30	]	]	PUNCT
admet-835	183	31	for	for	ADP
admet-835	183	32	all	all	DET
admet-835	183	33	100	100	NUM
admet-835	183	34	compounds	compound	NOUN
admet-835	183	35	comprising	comprise	VERB
admet-835	183	36	the	the	DET
admet-835	183	37	2019	2019	NUM
admet-835	183	38	solubility	solubility	NOUN
admet-835	183	39	challenge	challenge	VERB
admet-835	183	40	tight	tight	ADJ
admet-835	183	41	test	test	NOUN
admet-835	183	42	set	set	NOUN
admet-835	183	43	of	of	ADP
admet-835	183	44	100	100	NUM
admet-835	183	45	molecules	molecule	NOUN
admet-835	183	46	.	.	PUNCT
admet-835	184	1	the	the	DET
admet-835	184	2	vox	vox	PROPN
admet-835	184	3	machinarum	machinarum	PROPN
admet-835	184	4	predictions	prediction	NOUN
admet-835	184	5	reported	report	VERB
admet-835	184	6	here	here	ADV
admet-835	184	7	were	be	AUX
admet-835	184	8	the	the	DET
admet-835	184	9	median	median	NOUN
admet-835	184	10	of	of	ADP
admet-835	184	11	the	the	DET
admet-835	184	12	other	other	ADJ
admet-835	184	13	three	three	NUM
admet-835	184	14	classifiers	classifier	NOUN
admet-835	184	15	’	’	PART
admet-835	184	16	predictions	prediction	NOUN
admet-835	184	17	for	for	ADP
admet-835	184	18	each	each	DET
admet-835	184	19	compound	compound	NOUN
admet-835	184	20	.	.	PUNCT
admet-835	185	1	the	the	DET
admet-835	185	2	standard	standard	ADJ
admet-835	185	3	deviation	deviation	NOUN
admet-835	185	4	of	of	ADP
admet-835	185	5	the	the	DET
admet-835	185	6	100	100	NUM
admet-835	185	7	compounds	compound	NOUN
admet-835	185	8	’	'	PUNCT
admet-835	185	9	logs	log	NOUN
admet-835	185	10	values	value	NOUN
admet-835	185	11	was	be	AUX
admet-835	185	12	1.266	1.266	NUM
admet-835	185	13	.	.	PUNCT
admet-835	186	1	method	method	PROPN
admet-835	186	2	rmse	rmse	PROPN
admet-835	186	3	rmse	rmse	PROPN
admet-835	186	4	/	/	SYM
admet-835	186	5	sd	sd	NOUN
admet-835	186	6	aae	aae	PROPN
admet-835	186	7	r	r	NOUN
admet-835	186	8	2	2	NUM
admet-835	186	9	err	err	NOUN
admet-835	186	10	<	<	X
admet-835	186	11	0.5	0.5	NUM
admet-835	186	12	err	err	NOUN
admet-835	186	13	<	<	X
admet-835	186	14	1.0	1.0	NUM
admet-835	186	15	extra	extra	ADJ
admet-835	186	16	trees	tree	NOUN
admet-835	186	17	0.946	0.946	NUM
admet-835	186	18	0.748	0.748	NUM
admet-835	186	19	0.720	0.720	NUM
admet-835	186	20	0.527	0.527	NUM
admet-835	186	21	45	45	NUM
admet-835	186	22	(	(	PUNCT
admet-835	186	23	45	45	NUM
admet-835	186	24	%	%	NOUN
admet-835	186	25	)	)	PUNCT
admet-835	186	26	75	75	NUM
admet-835	186	27	(	(	PUNCT
admet-835	186	28	75	75	NUM
admet-835	186	29	%	%	NOUN
admet-835	186	30	)	)	PUNCT
admet-835	186	31	random	random	ADJ
admet-835	186	32	forest	forest	NOUN
admet-835	186	33	0.989	0.989	NUM
admet-835	186	34	0.781	0.781	NUM
admet-835	186	35	0.765	0.765	NUM
admet-835	186	36	0.494	0.494	NUM
admet-835	186	37	44	44	NUM
admet-835	186	38	(	(	PUNCT
admet-835	186	39	44	44	NUM
admet-835	186	40	%	%	NOUN
admet-835	186	41	)	)	PUNCT
admet-835	186	42	70	70	NUM
admet-835	186	43	(	(	PUNCT
admet-835	186	44	70	70	NUM
admet-835	186	45	%	%	NOUN
admet-835	186	46	)	)	PUNCT
admet-835	186	47	bagging	bag	VERB
admet-835	186	48	1.023	1.023	NUM
admet-835	186	49	0.808	0.808	NUM
admet-835	186	50	0.815	0.815	NUM
admet-835	186	51	0.481	0.481	NUM
admet-835	186	52	38	38	NUM
admet-835	186	53	(	(	PUNCT
admet-835	186	54	38	38	NUM
admet-835	186	55	%	%	NOUN
admet-835	186	56	)	)	PUNCT
admet-835	186	57	65	65	NUM
admet-835	186	58	(	(	PUNCT
admet-835	186	59	65	65	NUM
admet-835	186	60	%	%	NOUN
admet-835	186	61	)	)	PUNCT
admet-835	187	1	vox	vox	PROPN
admet-835	187	2	machinarum	machinarum	VERB
admet-835	187	3	0.977	0.977	NUM
admet-835	187	4	0.771	0.771	NUM
admet-835	187	5	0.754	0.754	NUM
admet-835	187	6	0.507	0.507	NUM
admet-835	187	7	46	46	NUM
admet-835	187	8	(	(	PUNCT
admet-835	187	9	46	46	NUM
admet-835	187	10	%	%	NOUN
admet-835	187	11	)	)	PUNCT
admet-835	187	12	69	69	NUM
admet-835	187	13	(	(	PUNCT
admet-835	187	14	69	69	NUM
admet-835	187	15	%	%	NOUN
admet-835	187	16	)	)	PUNCT
admet-835	188	1	we	we	PRON
admet-835	188	2	noted	note	VERB
admet-835	188	3	a	a	DET
admet-835	188	4	significant	significant	ADJ
admet-835	188	5	dependence	dependence	NOUN
admet-835	188	6	of	of	ADP
admet-835	188	7	outcome	outcome	NOUN
admet-835	188	8	on	on	ADP
admet-835	188	9	the	the	DET
admet-835	188	10	choice	choice	NOUN
admet-835	188	11	of	of	ADP
admet-835	188	12	individual	individual	ADJ
admet-835	188	13	source	source	NOUN
admet-835	188	14	datapoint	datapoint	NOUN
admet-835	188	15	for	for	ADP
admet-835	188	16	a	a	DET
admet-835	188	17	given	give	VERB
admet-835	188	18	compound	compound	NOUN
admet-835	188	19	.	.	PUNCT
admet-835	189	1	for	for	ADP
admet-835	189	2	example	example	NOUN
admet-835	189	3	,	,	PUNCT
admet-835	189	4	the	the	DET
admet-835	189	5	difference	difference	NOUN
admet-835	189	6	in	in	ADP
admet-835	189	7	solubilities	solubility	NOUN
admet-835	189	8	for	for	ADP
admet-835	189	9	tamoxifen	tamoxifen	NOUN
admet-835	189	10	between	between	ADP
admet-835	189	11	two	two	NUM
admet-835	189	12	possible	possible	ADJ
admet-835	189	13	literature	literature	NOUN
admet-835	189	14	admet	admet	PROPN
admet-835	189	15	&	&	CCONJ
admet-835	189	16	dmpk	dmpk	PROPN
admet-835	189	17	8(3	8(3	NUM
admet-835	189	18	)	)	PUNCT
admet-835	189	19	(	(	PUNCT
admet-835	189	20	2020	2020	NUM
admet-835	189	21	)	)	PUNCT
admet-835	189	22	215	215	NUM
admet-835	189	23	-	-	SYM
admet-835	189	24	250	250	NUM
admet-835	189	25	machine	machine	NOUN
admet-835	189	26	learning	learning	NOUN
admet-835	189	27	models	model	NOUN
admet-835	189	28	for	for	ADP
admet-835	189	29	the	the	DET
admet-835	189	30	2019	2019	NUM
admet-835	189	31	solubility	solubility	NOUN
admet-835	189	32	challenge	challenge	NOUN
admet-835	189	33	doi	doi	NOUN
admet-835	189	34	:	:	PUNCT
admet-835	189	35	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	189	36	223	223	NUM
admet-835	189	37	sources	source	NOUN
admet-835	189	38	,	,	PUNCT
admet-835	189	39	log	log	NOUN
admet-835	189	40	s	s	PART
admet-835	190	1	=	=	PUNCT
admet-835	190	2	-8.49	-8.49	NUM
admet-835	191	1	[	[	X
admet-835	191	2	31	31	NUM
admet-835	191	3	]	]	PUNCT
admet-835	191	4	and	and	CCONJ
admet-835	191	5	log	log	VERB
admet-835	191	6	s	s	PART
admet-835	191	7	=	=	SYM
admet-835	191	8	+0.87	+0.87	X
admet-835	192	1	[	[	X
admet-835	192	2	48	48	NUM
admet-835	192	3	]	]	PUNCT
admet-835	192	4	,	,	PUNCT
admet-835	192	5	is	be	AUX
admet-835	192	6	large	large	ADJ
admet-835	192	7	enough	enough	ADV
admet-835	192	8	to	to	PART
admet-835	192	9	impact	impact	VERB
admet-835	192	10	substantially	substantially	ADV
admet-835	192	11	on	on	ADP
admet-835	192	12	prediction	prediction	NOUN
admet-835	192	13	statistics	statistic	NOUN
admet-835	192	14	,	,	PUNCT
admet-835	192	15	and	and	CCONJ
admet-835	192	16	especially	especially	ADV
admet-835	192	17	so	so	ADV
admet-835	192	18	given	give	VERB
admet-835	192	19	both	both	CCONJ
admet-835	192	20	the	the	DET
admet-835	192	21	small	small	ADJ
admet-835	192	22	size	size	NOUN
admet-835	192	23	of	of	ADP
admet-835	192	24	the	the	DET
admet-835	192	25	test	test	NOUN
admet-835	192	26	set	set	VERB
admet-835	192	27	and	and	CCONJ
admet-835	192	28	the	the	DET
admet-835	192	29	larger	large	ADJ
admet-835	192	30	contribution	contribution	NOUN
admet-835	192	31	of	of	ADP
admet-835	192	32	compounds	compound	NOUN
admet-835	192	33	with	with	ADP
admet-835	192	34	numerically	numerically	ADV
admet-835	192	35	bigger	big	ADJ
admet-835	192	36	errors	error	NOUN
admet-835	192	37	to	to	ADP
admet-835	192	38	the	the	DET
admet-835	192	39	reported	report	VERB
admet-835	192	40	rmse	rmse	NOUN
admet-835	192	41	.	.	PUNCT
admet-835	193	1	further	far	ADV
admet-835	193	2	,	,	PUNCT
admet-835	193	3	the	the	DET
admet-835	193	4	literature	literature	NOUN
admet-835	193	5	value	value	NOUN
admet-835	193	6	of	of	ADP
admet-835	193	7	log	log	NOUN
admet-835	193	8	s	s	PART
admet-835	193	9	=	=	NOUN
admet-835	193	10	7.77	7.77	NUM
admet-835	193	11	[	[	X
admet-835	193	12	48	48	NUM
admet-835	193	13	]	]	PUNCT
admet-835	193	14	for	for	ADP
admet-835	193	15	bisoprolol	bisoprolol	NOUN
admet-835	193	16	makes	make	VERB
admet-835	193	17	it	it	PRON
admet-835	193	18	a	a	DET
admet-835	193	19	large	large	ADJ
admet-835	193	20	outlier	outlier	NOUN
admet-835	193	21	,	,	PUNCT
admet-835	193	22	with	with	ADP
admet-835	193	23	predicted	predict	VERB
admet-835	193	24	values	value	NOUN
admet-835	193	25	all	all	PRON
admet-835	193	26	between	between	ADP
admet-835	193	27	1.86	1.86	NUM
admet-835	193	28	and	and	CCONJ
admet-835	193	29	2.30	2.30	NUM
admet-835	193	30	;	;	PUNCT
admet-835	193	31	this	this	DET
admet-835	193	32	impression	impression	NOUN
admet-835	193	33	was	be	AUX
admet-835	193	34	reinforced	reinforce	VERB
admet-835	193	35	by	by	ADP
admet-835	193	36	the	the	DET
admet-835	193	37	value	value	NOUN
admet-835	193	38	of	of	ADP
admet-835	193	39	log	log	NOUN
admet-835	193	40	s	s	PART
admet-835	193	41	=	=	NOUN
admet-835	193	42	2.09	2.09	NUM
admet-835	193	43	later	later	ADV
admet-835	193	44	given	give	VERB
admet-835	193	45	by	by	ADP
admet-835	193	46	avdeef	avdeef	NOUN
admet-835	193	47	[	[	X
admet-835	193	48	45	45	NUM
admet-835	193	49	]	]	PUNCT
admet-835	193	50	as	as	ADP
admet-835	193	51	the	the	DET
admet-835	193	52	average	average	NOUN
admet-835	193	53	of	of	ADP
admet-835	193	54	three	three	NUM
admet-835	193	55	experimental	experimental	ADJ
admet-835	193	56	determinations	determination	NOUN
admet-835	193	57	.	.	PUNCT
admet-835	194	1	we	we	PRON
admet-835	194	2	see	see	VERB
admet-835	194	3	no	no	DET
admet-835	194	4	reason	reason	NOUN
admet-835	194	5	to	to	PART
admet-835	194	6	doubt	doubt	VERB
admet-835	194	7	the	the	DET
admet-835	194	8	validity	validity	NOUN
admet-835	194	9	of	of	ADP
admet-835	194	10	avdeef	avdeef	PROPN
admet-835	194	11	’s	’s	PART
admet-835	194	12	number	number	NOUN
admet-835	194	13	.	.	PUNCT
admet-835	195	1	since	since	SCONJ
admet-835	195	2	some	some	DET
admet-835	195	3	compounds	compound	NOUN
admet-835	195	4	do	do	AUX
admet-835	195	5	indeed	indeed	ADV
admet-835	195	6	have	have	VERB
admet-835	195	7	a	a	DET
admet-835	195	8	wide	wide	ADJ
admet-835	195	9	range	range	NOUN
admet-835	195	10	of	of	ADP
admet-835	195	11	reported	report	VERB
admet-835	195	12	log	log	PROPN
admet-835	195	13	s	s	PART
admet-835	195	14	values	value	NOUN
admet-835	195	15	,	,	PUNCT
admet-835	195	16	the	the	DET
admet-835	195	17	effect	effect	NOUN
admet-835	195	18	of	of	ADP
admet-835	195	19	any	any	DET
admet-835	195	20	erroneous	erroneous	ADJ
admet-835	195	21	,	,	PUNCT
admet-835	195	22	or	or	CCONJ
admet-835	195	23	erroneously	erroneously	ADV
admet-835	195	24	interpreted	interpret	VERB
admet-835	195	25	or	or	CCONJ
admet-835	195	26	transcribed	transcribe	VERB
admet-835	195	27	,	,	PUNCT
admet-835	195	28	datapoints	datapoint	NOUN
admet-835	195	29	may	may	AUX
admet-835	195	30	remain	remain	VERB
admet-835	195	31	even	even	ADV
admet-835	195	32	if	if	SCONJ
admet-835	195	33	averages	average	NOUN
admet-835	195	34	of	of	ADP
admet-835	195	35	experimental	experimental	ADJ
admet-835	195	36	values	value	NOUN
admet-835	195	37	are	be	AUX
admet-835	195	38	used	use	VERB
admet-835	195	39	.	.	PUNCT
admet-835	196	1	better	well	ADJ
admet-835	196	2	approaches	approach	NOUN
admet-835	196	3	may	may	AUX
admet-835	196	4	be	be	AUX
admet-835	196	5	either	either	CCONJ
admet-835	196	6	to	to	PART
admet-835	196	7	take	take	VERB
admet-835	196	8	a	a	DET
admet-835	196	9	median	median	NOUN
admet-835	196	10	,	,	PUNCT
admet-835	196	11	or	or	CCONJ
admet-835	196	12	else	else	ADV
admet-835	196	13	to	to	PART
admet-835	196	14	invest	invest	VERB
admet-835	196	15	considerable	considerable	ADJ
admet-835	196	16	scientific	scientific	ADJ
admet-835	196	17	effort	effort	NOUN
admet-835	196	18	in	in	ADP
admet-835	196	19	looking	look	VERB
admet-835	196	20	at	at	ADP
admet-835	196	21	the	the	DET
admet-835	196	22	validity	validity	NOUN
admet-835	196	23	of	of	ADP
admet-835	196	24	each	each	DET
admet-835	196	25	experiment	experiment	NOUN
admet-835	196	26	,	,	PUNCT
admet-835	196	27	as	as	SCONJ
admet-835	196	28	avdeef	avdeef	PROPN
admet-835	196	29	[	[	X
admet-835	196	30	46	46	NUM
admet-835	196	31	]	]	PUNCT
admet-835	196	32	has	have	AUX
admet-835	196	33	done	do	VERB
admet-835	196	34	,	,	PUNCT
admet-835	196	35	and	and	CCONJ
admet-835	196	36	then	then	ADV
admet-835	196	37	picking	pick	VERB
admet-835	196	38	either	either	CCONJ
admet-835	196	39	a	a	DET
admet-835	196	40	single	single	ADJ
admet-835	196	41	most	most	ADV
admet-835	196	42	trusted	trust	VERB
admet-835	196	43	datapoint	datapoint	NOUN
admet-835	196	44	or	or	CCONJ
admet-835	196	45	else	else	ADV
admet-835	196	46	an	an	DET
admet-835	196	47	average	average	NOUN
admet-835	196	48	of	of	ADP
admet-835	196	49	only	only	ADV
admet-835	196	50	those	those	PRON
admet-835	196	51	considered	consider	VERB
admet-835	196	52	trustworthy	trustworthy	ADJ
admet-835	196	53	.	.	PUNCT
admet-835	197	1	the	the	DET
admet-835	197	2	high	high	ADJ
admet-835	197	3	level	level	NOUN
admet-835	197	4	of	of	ADP
admet-835	197	5	similarity	similarity	NOUN
admet-835	197	6	between	between	ADP
admet-835	197	7	the	the	DET
admet-835	197	8	random	random	ADJ
admet-835	197	9	forest	forest	NOUN
admet-835	197	10	and	and	CCONJ
admet-835	197	11	vox	vox	PROPN
admet-835	197	12	machinarum	machinarum	PROPN
admet-835	197	13	results	result	VERB
admet-835	197	14	for	for	ADP
admet-835	197	15	this	this	DET
admet-835	197	16	test	test	NOUN
admet-835	197	17	set	set	VERB
admet-835	197	18	is	be	AUX
admet-835	197	19	a	a	DET
admet-835	197	20	consequence	consequence	NOUN
admet-835	197	21	of	of	ADP
admet-835	197	22	the	the	DET
admet-835	197	23	frequency	frequency	NOUN
admet-835	197	24	with	with	ADP
admet-835	197	25	which	which	PRON
admet-835	197	26	the	the	DET
admet-835	197	27	random	random	ADJ
admet-835	197	28	forest	forest	NOUN
admet-835	197	29	predictions	prediction	NOUN
admet-835	197	30	fall	fall	VERB
admet-835	197	31	in	in	ADP
admet-835	197	32	between	between	ADP
admet-835	197	33	those	those	PRON
admet-835	197	34	of	of	ADP
admet-835	197	35	extra	extra	ADJ
admet-835	197	36	trees	tree	NOUN
admet-835	197	37	and	and	CCONJ
admet-835	197	38	bagging	bagging	NOUN
admet-835	197	39	and	and	CCONJ
admet-835	197	40	hence	hence	ADV
admet-835	197	41	become	become	VERB
admet-835	197	42	the	the	DET
admet-835	197	43	median	median	ADJ
admet-835	197	44	prediction	prediction	NOUN
admet-835	197	45	–	–	PUNCT
admet-835	197	46	this	this	PRON
admet-835	197	47	occurs	occur	VERB
admet-835	197	48	for	for	ADP
admet-835	197	49	22	22	NUM
admet-835	197	50	of	of	ADP
admet-835	197	51	the	the	DET
admet-835	197	52	32	32	NUM
admet-835	197	53	compounds	compound	NOUN
admet-835	197	54	.	.	PUNCT
admet-835	198	1	figure	figure	NOUN
admet-835	198	2	3	3	NUM
admet-835	198	3	.	.	PUNCT
admet-835	198	4	extra	extra	ADJ
admet-835	198	5	trees	tree	NOUN
admet-835	198	6	predictions	prediction	NOUN
admet-835	198	7	plotted	plot	VERB
admet-835	198	8	against	against	ADP
admet-835	198	9	avdeef	avdeef	PROPN
admet-835	198	10	’s	’s	PART
admet-835	198	11	average	average	ADJ
admet-835	198	12	log	log	NOUN
admet-835	198	13	s	s	PART
admet-835	198	14	values	value	NOUN
admet-835	199	1	[	[	X
admet-835	199	2	45	45	NUM
admet-835	199	3	]	]	PUNCT
admet-835	199	4	for	for	ADP
admet-835	199	5	the	the	DET
admet-835	199	6	2019	2019	NUM
admet-835	199	7	solubility	solubility	NOUN
admet-835	199	8	challenge	challenge	VERB
admet-835	199	9	tight	tight	ADJ
admet-835	199	10	test	test	NOUN
admet-835	199	11	set	set	NOUN
admet-835	199	12	of	of	ADP
admet-835	199	13	100	100	NUM
admet-835	199	14	molecules	molecule	NOUN
admet-835	199	15	.	.	PUNCT
admet-835	200	1	compounds	compound	NOUN
admet-835	200	2	with	with	ADP
admet-835	200	3	prediction	prediction	NOUN
admet-835	200	4	errors	error	NOUN
admet-835	200	5	of	of	ADP
admet-835	200	6	under	under	ADP
admet-835	200	7	0.5	0.5	NUM
admet-835	200	8	(	(	PUNCT
admet-835	200	9	blue	blue	NOUN
admet-835	200	10	)	)	PUNCT
admet-835	200	11	,	,	PUNCT
admet-835	200	12	0.5	0.5	NUM
admet-835	200	13	to	to	PART
admet-835	200	14	1.0	1.0	NUM
admet-835	200	15	(	(	PUNCT
admet-835	200	16	green	green	NOUN
admet-835	200	17	)	)	PUNCT
admet-835	200	18	,	,	PUNCT
admet-835	200	19	1.0	1.0	NUM
admet-835	200	20	to	to	ADP
admet-835	200	21	2.0	2.0	NUM
admet-835	200	22	(	(	PUNCT
admet-835	200	23	orange	orange	PROPN
admet-835	200	24	)	)	PUNCT
admet-835	200	25	,	,	PUNCT
admet-835	200	26	and	and	CCONJ
admet-835	200	27	over	over	ADP
admet-835	200	28	2.0	2.0	NUM
admet-835	200	29	log	log	NOUN
admet-835	200	30	s	s	NOUN
admet-835	200	31	units	unit	NOUN
admet-835	200	32	(	(	PUNCT
admet-835	200	33	red	red	ADJ
admet-835	200	34	)	)	PUNCT
admet-835	200	35	are	be	AUX
admet-835	200	36	shown	show	VERB
admet-835	200	37	in	in	ADP
admet-835	200	38	their	their	PRON
admet-835	200	39	respective	respective	ADJ
admet-835	200	40	colours	colour	NOUN
admet-835	200	41	.	.	PUNCT
admet-835	201	1	the	the	DET
admet-835	201	2	black	black	ADJ
admet-835	201	3	diagonal	diagonal	ADJ
admet-835	201	4	line	line	NOUN
admet-835	201	5	shows	show	VERB
admet-835	201	6	equality	equality	NOUN
admet-835	201	7	of	of	ADP
admet-835	201	8	predicted	predict	VERB
admet-835	201	9	and	and	CCONJ
admet-835	201	10	experimental	experimental	ADJ
admet-835	201	11	solubilities	solubility	NOUN
admet-835	201	12	,	,	PUNCT
admet-835	201	13	while	while	SCONJ
admet-835	201	14	the	the	DET
admet-835	201	15	grey	grey	ADJ
admet-835	201	16	line	line	NOUN
admet-835	201	17	is	be	AUX
admet-835	201	18	a	a	DET
admet-835	201	19	line	line	NOUN
admet-835	201	20	of	of	ADP
admet-835	201	21	best	good	ADJ
admet-835	201	22	fit	fit	ADJ
admet-835	201	23	to	to	ADP
admet-835	201	24	the	the	DET
admet-835	201	25	data	datum	NOUN
admet-835	201	26	.	.	PUNCT
admet-835	202	1	the	the	DET
admet-835	202	2	majority	majority	NOUN
admet-835	202	3	of	of	ADP
admet-835	202	4	the	the	DET
admet-835	202	5	change	change	NOUN
admet-835	202	6	in	in	ADP
admet-835	202	7	prediction	prediction	NOUN
admet-835	202	8	quality	quality	NOUN
admet-835	202	9	between	between	ADP
admet-835	202	10	those	those	PRON
admet-835	202	11	for	for	ADP
admet-835	202	12	89	89	NUM
admet-835	202	13	literature	literature	NOUN
admet-835	202	14	solubilities	solubility	NOUN
admet-835	202	15	in	in	ADP
admet-835	202	16	table	table	NOUN
admet-835	202	17	2	2	NUM
admet-835	202	18	and	and	CCONJ
admet-835	202	19	for	for	ADP
admet-835	202	20	100	100	NUM
admet-835	202	21	avdeef	avdeef	NOUN
admet-835	202	22	solubilities	solubility	NOUN
admet-835	202	23	in	in	ADP
admet-835	202	24	table	table	NOUN
admet-835	202	25	4	4	NUM
admet-835	202	26	is	be	AUX
admet-835	202	27	already	already	ADV
admet-835	202	28	seen	see	VERB
admet-835	202	29	when	when	SCONJ
admet-835	202	30	the	the	DET
admet-835	202	31	avdeef	avdeef	NOUN
admet-835	202	32	solubilities	solubility	NOUN
admet-835	202	33	are	be	AUX
admet-835	202	34	used	use	VERB
admet-835	202	35	for	for	ADP
admet-835	202	36	the	the	DET
admet-835	202	37	original	original	ADJ
admet-835	202	38	89	89	NUM
admet-835	202	39	compounds	compound	NOUN
admet-835	202	40	,	,	PUNCT
admet-835	202	41	as	as	SCONJ
admet-835	202	42	shown	show	VERB
admet-835	202	43	in	in	ADP
admet-835	202	44	table	table	NOUN
admet-835	202	45	a4	a4	NOUN
admet-835	202	46	.	.	PUNCT
admet-835	203	1	the	the	DET
admet-835	203	2	addition	addition	NOUN
admet-835	203	3	of	of	ADP
admet-835	203	4	eleven	eleven	NUM
admet-835	203	5	‘	'	PUNCT
admet-835	203	6	new	new	ADJ
admet-835	203	7	’	'	PUNCT
admet-835	203	8	molecules	molecule	NOUN
admet-835	203	9	between	between	ADP
admet-835	203	10	table	table	NOUN
admet-835	203	11	a4	a4	NOUN
admet-835	203	12	and	and	CCONJ
admet-835	203	13	table	table	NOUN
admet-835	203	14	4	4	NUM
admet-835	203	15	makes	make	VERB
admet-835	203	16	relatively	relatively	ADV
admet-835	203	17	little	little	ADJ
admet-835	203	18	difference	difference	NOUN
admet-835	203	19	to	to	ADP
admet-835	203	20	the	the	DET
admet-835	203	21	prediction	prediction	NOUN
admet-835	203	22	quality	quality	NOUN
admet-835	203	23	.	.	PUNCT
admet-835	204	1	over	over	ADP
admet-835	204	2	the	the	DET
admet-835	204	3	89	89	NUM
admet-835	204	4	compounds	compound	NOUN
admet-835	204	5	,	,	PUNCT
admet-835	204	6	the	the	DET
admet-835	204	7	slight	slight	ADJ
admet-835	204	8	deterioration	deterioration	NOUN
admet-835	204	9	in	in	ADP
admet-835	204	10	rmse	rmse	NOUN
admet-835	204	11	between	between	ADP
admet-835	204	12	tables	table	NOUN
admet-835	204	13	2	2	NUM
admet-835	204	14	on	on	ADP
admet-835	204	15	the	the	DET
admet-835	204	16	one	one	NUM
admet-835	204	17	hand	hand	NOUN
admet-835	204	18	and	and	CCONJ
admet-835	204	19	tables	table	NOUN
admet-835	204	20	4	4	NUM
admet-835	204	21	&	&	CCONJ
admet-835	204	22	a4	a4	NOUN
admet-835	204	23	on	on	ADP
admet-835	204	24	the	the	DET
admet-835	204	25	other	other	ADJ
admet-835	204	26	is	be	AUX
admet-835	204	27	almost	almost	ADV
admet-835	204	28	exactly	exactly	ADV
admet-835	204	29	in	in	ADP
admet-835	204	30	line	line	NOUN
admet-835	204	31	with	with	ADP
admet-835	204	32	the	the	DET
admet-835	204	33	increase	increase	NOUN
admet-835	204	34	in	in	ADP
admet-835	204	35	the	the	DET
admet-835	204	36	standard	standard	ADJ
admet-835	204	37	deviation	deviation	NOUN
admet-835	204	38	of	of	ADP
admet-835	204	39	the	the	DET
admet-835	204	40	experimental	experimental	ADJ
admet-835	204	41	log	log	NOUN
admet-835	204	42	s	s	PART
admet-835	204	43	values	value	NOUN
admet-835	204	44	.	.	PUNCT
admet-835	205	1	comparisons	comparison	NOUN
admet-835	205	2	of	of	ADP
admet-835	205	3	predictions	prediction	NOUN
admet-835	205	4	for	for	ADP
admet-835	205	5	the	the	DET
admet-835	205	6	loose	loose	ADJ
admet-835	205	7	test	test	NOUN
admet-835	205	8	set	set	NOUN
admet-835	205	9	of	of	ADP
admet-835	205	10	32	32	NUM
admet-835	205	11	compounds	compound	NOUN
admet-835	205	12	with	with	ADP
admet-835	205	13	avdeef	avdeef	PROPN
admet-835	205	14	’s	’s	PART
admet-835	205	15	data	datum	NOUN
admet-835	205	16	[	[	X
admet-835	205	17	45	45	NUM
admet-835	205	18	]	]	PUNCT
admet-835	205	19	are	be	AUX
admet-835	205	20	shown	show	VERB
admet-835	205	21	in	in	ADP
admet-835	205	22	table	table	NOUN
admet-835	205	23	5	5	NUM
admet-835	205	24	,	,	PUNCT
admet-835	205	25	and	and	CCONJ
admet-835	205	26	in	in	ADP
admet-835	205	27	figure	figure	NOUN
admet-835	205	28	4	4	NUM
admet-835	205	29	,	,	PUNCT
admet-835	205	30	figure	figure	NOUN
admet-835	205	31	a10	a10	NOUN
admet-835	205	32	,	,	PUNCT
admet-835	205	33	figure	figure	VERB
admet-835	205	34	a11	a11	PROPN
admet-835	205	35	and	and	CCONJ
admet-835	205	36	figure	figure	VERB
admet-835	205	37	a12	a12	NOUN
admet-835	205	38	for	for	ADP
admet-835	205	39	extra	extra	ADJ
admet-835	205	40	trees	tree	NOUN
admet-835	205	41	,	,	PUNCT
admet-835	205	42	random	random	ADJ
admet-835	205	43	forest	forest	NOUN
admet-835	205	44	,	,	PUNCT
admet-835	205	45	vox	vox	PROPN
admet-835	205	46	machinarum	machinarum	PROPN
admet-835	205	47	and	and	CCONJ
admet-835	205	48	bagging	bagging	NOUN
admet-835	205	49	,	,	PUNCT
admet-835	205	50	respectively	respectively	ADV
admet-835	205	51	.	.	PUNCT
admet-835	206	1	vox	vox	PROPN
admet-835	206	2	machinarum	machinarum	PROPN
admet-835	206	3	(	(	PUNCT
admet-835	206	4	rmse	rmse	NOUN
admet-835	206	5	=	=	SYM
admet-835	206	6	1.490	1.490	NUM
admet-835	206	7	)	)	PUNCT
admet-835	206	8	and	and	CCONJ
admet-835	206	9	random	random	ADJ
admet-835	206	10	forest	forest	NOUN
admet-835	206	11	(	(	PUNCT
admet-835	206	12	rmse	rmse	NOUN
admet-835	206	13	=	=	SYM
admet-835	206	14	1.495	1.495	NUM
admet-835	206	15	)	)	PUNCT
admet-835	206	16	classifiers	classifier	NOUN
admet-835	206	17	are	be	AUX
admet-835	206	18	the	the	DET
admet-835	206	19	two	two	NUM
admet-835	206	20	best	good	ADJ
admet-835	206	21	for	for	ADP
admet-835	206	22	this	this	DET
admet-835	206	23	set	set	NOUN
admet-835	206	24	,	,	PUNCT
admet-835	206	25	and	and	CCONJ
admet-835	206	26	for	for	ADP
admet-835	206	27	the	the	DET
admet-835	206	28	reasons	reason	NOUN
admet-835	206	29	discussed	discuss	VERB
admet-835	206	30	previously	previously	ADV
admet-835	206	31	perform	perform	VERB
admet-835	206	32	almost	almost	ADV
admet-835	206	33	identically	identically	ADV
admet-835	206	34	well	well	ADV
admet-835	206	35	.	.	PUNCT
admet-835	207	1	bagging	bagging	NOUN
admet-835	207	2	,	,	PUNCT
admet-835	207	3	which	which	PRON
admet-835	207	4	has	have	VERB
admet-835	207	5	the	the	DET
admet-835	207	6	best	good	ADJ
admet-835	207	7	results	result	NOUN
admet-835	207	8	for	for	ADP
admet-835	207	9	the	the	DET
admet-835	207	10	literature	literature	NOUN
admet-835	207	11	solubilities	solubility	NOUN
admet-835	207	12	of	of	ADP
admet-835	207	13	26	26	NUM
admet-835	207	14	of	of	ADP
admet-835	207	15	these	these	DET
admet-835	207	16	32	32	NUM
admet-835	207	17	compounds	compound	NOUN
admet-835	207	18	in	in	ADP
admet-835	207	19	table	table	NOUN
admet-835	207	20	3	3	NUM
admet-835	207	21	,	,	PUNCT
admet-835	207	22	is	be	AUX
admet-835	207	23	now	now	ADV
admet-835	207	24	the	the	DET
admet-835	207	25	least	least	ADV
admet-835	207	26	successful	successful	ADJ
admet-835	207	27	predictor	predictor	NOUN
admet-835	207	28	.	.	PUNCT
admet-835	208	1	however	however	ADV
admet-835	208	2	,	,	PUNCT
admet-835	208	3	the	the	DET
admet-835	208	4	differences	difference	NOUN
admet-835	208	5	in	in	ADP
admet-835	208	6	performance	performance	NOUN
admet-835	208	7	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	208	8	john	john	PROPN
admet-835	208	9	b.	b.	PROPN
admet-835	208	10	o.	o.	PROPN
admet-835	208	11	mitchell	mitchell	PROPN
admet-835	208	12	admet	admet	PROPN
admet-835	208	13	&	&	CCONJ
admet-835	208	14	dmpk	dmpk	PROPN
admet-835	208	15	8(3	8(3	NUM
admet-835	208	16	)	)	PUNCT
admet-835	208	17	(	(	PUNCT
admet-835	208	18	2020	2020	NUM
admet-835	208	19	)	)	PUNCT
admet-835	208	20	215	215	NUM
admet-835	208	21	-	-	SYM
admet-835	208	22	250	250	NUM
admet-835	208	23	224	224	NUM
admet-835	208	24	between	between	ADP
admet-835	208	25	the	the	DET
admet-835	208	26	predictors	predictor	NOUN
admet-835	208	27	here	here	ADV
admet-835	208	28	are	be	AUX
admet-835	208	29	small	small	ADJ
admet-835	208	30	and	and	CCONJ
admet-835	208	31	unlikely	unlikely	ADJ
admet-835	208	32	to	to	PART
admet-835	208	33	be	be	AUX
admet-835	208	34	significant	significant	ADJ
admet-835	208	35	.	.	PUNCT
admet-835	209	1	if	if	SCONJ
admet-835	209	2	we	we	PRON
admet-835	209	3	compare	compare	VERB
admet-835	209	4	predictions	prediction	NOUN
admet-835	209	5	with	with	ADP
admet-835	209	6	the	the	DET
admet-835	209	7	avdeef	avdeef	NOUN
admet-835	209	8	solubilities	solubility	NOUN
admet-835	209	9	for	for	ADP
admet-835	209	10	only	only	ADV
admet-835	209	11	those	those	DET
admet-835	209	12	26	26	NUM
admet-835	209	13	compounds	compound	NOUN
admet-835	209	14	where	where	SCONJ
admet-835	209	15	literature	literature	NOUN
admet-835	209	16	data	datum	NOUN
admet-835	209	17	were	be	AUX
admet-835	209	18	also	also	ADV
admet-835	209	19	available	available	ADJ
admet-835	209	20	,	,	PUNCT
admet-835	209	21	table	table	NOUN
admet-835	209	22	a5	a5	NOUN
admet-835	209	23	,	,	PUNCT
admet-835	209	24	the	the	DET
admet-835	209	25	performance	performance	NOUN
admet-835	209	26	of	of	ADP
admet-835	209	27	the	the	DET
admet-835	209	28	four	four	NUM
admet-835	209	29	predictors	predictor	NOUN
admet-835	209	30	is	be	AUX
admet-835	209	31	almost	almost	ADV
admet-835	209	32	equal	equal	ADJ
admet-835	209	33	.	.	PUNCT
admet-835	210	1	the	the	DET
admet-835	210	2	modest	modest	ADJ
admet-835	210	3	advantage	advantage	NOUN
admet-835	210	4	that	that	SCONJ
admet-835	210	5	bagging	bagging	NOUN
admet-835	210	6	had	have	AUX
admet-835	210	7	displayed	display	VERB
admet-835	210	8	when	when	SCONJ
admet-835	210	9	using	use	VERB
admet-835	210	10	literature	literature	NOUN
admet-835	210	11	solubilities	solubility	NOUN
admet-835	210	12	for	for	ADP
admet-835	210	13	the	the	DET
admet-835	210	14	same	same	ADJ
admet-835	210	15	26	26	NUM
admet-835	210	16	compounds	compound	NOUN
admet-835	210	17	as	as	ADP
admet-835	210	18	ground	ground	NOUN
admet-835	210	19	truth	truth	NOUN
admet-835	210	20	disappears	disappear	VERB
admet-835	210	21	when	when	SCONJ
admet-835	210	22	avdeef	avdeef	PROPN
admet-835	210	23	solubilities	solubility	NOUN
admet-835	210	24	are	be	AUX
admet-835	210	25	instead	instead	ADV
admet-835	210	26	used	use	VERB
admet-835	210	27	for	for	ADP
admet-835	210	28	comparison	comparison	NOUN
admet-835	210	29	.	.	PUNCT
admet-835	211	1	figure	figure	VERB
admet-835	211	2	4	4	NUM
admet-835	211	3	.	.	PUNCT
admet-835	211	4	extra	extra	ADJ
admet-835	211	5	trees	tree	NOUN
admet-835	211	6	predictions	prediction	NOUN
admet-835	211	7	plotted	plot	VERB
admet-835	211	8	against	against	ADP
admet-835	211	9	avdeef	avdeef	PROPN
admet-835	211	10	’s	’s	PART
admet-835	211	11	average	average	ADJ
admet-835	211	12	log	log	NOUN
admet-835	211	13	s	s	PART
admet-835	211	14	values	value	NOUN
admet-835	211	15	[	[	X
admet-835	211	16	45	45	NUM
admet-835	211	17	]	]	PUNCT
admet-835	211	18	for	for	ADP
admet-835	211	19	the	the	DET
admet-835	211	20	2019	2019	NUM
admet-835	211	21	solubility	solubility	NOUN
admet-835	211	22	challenge	challenge	NOUN
admet-835	211	23	loose	loose	ADJ
admet-835	211	24	test	test	NOUN
admet-835	211	25	set	set	NOUN
admet-835	211	26	of	of	ADP
admet-835	211	27	32	32	NUM
admet-835	211	28	molecules	molecule	NOUN
admet-835	211	29	.	.	PUNCT
admet-835	212	1	compounds	compound	NOUN
admet-835	212	2	with	with	ADP
admet-835	212	3	prediction	prediction	NOUN
admet-835	212	4	errors	error	NOUN
admet-835	212	5	of	of	ADP
admet-835	212	6	under	under	ADP
admet-835	212	7	0.5	0.5	NUM
admet-835	212	8	(	(	PUNCT
admet-835	212	9	blue	blue	NOUN
admet-835	212	10	)	)	PUNCT
admet-835	212	11	,	,	PUNCT
admet-835	212	12	0.5	0.5	NUM
admet-835	212	13	to	to	PART
admet-835	212	14	1.0	1.0	NUM
admet-835	212	15	(	(	PUNCT
admet-835	212	16	green	green	NOUN
admet-835	212	17	)	)	PUNCT
admet-835	212	18	,	,	PUNCT
admet-835	212	19	1.0	1.0	NUM
admet-835	212	20	to	to	ADP
admet-835	212	21	2.0	2.0	NUM
admet-835	212	22	(	(	PUNCT
admet-835	212	23	orange	orange	PROPN
admet-835	212	24	)	)	PUNCT
admet-835	212	25	,	,	PUNCT
admet-835	212	26	and	and	CCONJ
admet-835	212	27	over	over	ADP
admet-835	212	28	2.0	2.0	NUM
admet-835	212	29	logs	log	NOUN
admet-835	212	30	units	unit	NOUN
admet-835	212	31	(	(	PUNCT
admet-835	212	32	red	red	ADJ
admet-835	212	33	)	)	PUNCT
admet-835	212	34	are	be	AUX
admet-835	212	35	shown	show	VERB
admet-835	212	36	in	in	ADP
admet-835	212	37	their	their	PRON
admet-835	212	38	respective	respective	ADJ
admet-835	212	39	colours	colour	NOUN
admet-835	212	40	.	.	PUNCT
admet-835	213	1	the	the	DET
admet-835	213	2	black	black	ADJ
admet-835	213	3	diagonal	diagonal	ADJ
admet-835	213	4	line	line	NOUN
admet-835	213	5	shows	show	VERB
admet-835	213	6	equality	equality	NOUN
admet-835	213	7	of	of	ADP
admet-835	213	8	predicted	predict	VERB
admet-835	213	9	and	and	CCONJ
admet-835	213	10	experimental	experimental	ADJ
admet-835	213	11	solubilities	solubility	NOUN
admet-835	213	12	,	,	PUNCT
admet-835	213	13	while	while	SCONJ
admet-835	213	14	the	the	DET
admet-835	213	15	grey	grey	ADJ
admet-835	213	16	line	line	NOUN
admet-835	213	17	is	be	AUX
admet-835	213	18	a	a	DET
admet-835	213	19	line	line	NOUN
admet-835	213	20	of	of	ADP
admet-835	213	21	best	good	ADJ
admet-835	213	22	fit	fit	ADJ
admet-835	213	23	to	to	ADP
admet-835	213	24	the	the	DET
admet-835	213	25	data	datum	NOUN
admet-835	213	26	.	.	PUNCT
admet-835	214	1	table	table	NOUN
admet-835	214	2	5	5	NUM
admet-835	214	3	.	.	PUNCT
admet-835	215	1	statistical	statistical	ADJ
admet-835	215	2	evaluations	evaluation	NOUN
admet-835	215	3	of	of	ADP
admet-835	215	4	predictions	prediction	NOUN
admet-835	215	5	for	for	ADP
admet-835	215	6	the	the	DET
admet-835	215	7	extra	extra	ADJ
admet-835	215	8	trees	tree	NOUN
admet-835	215	9	,	,	PUNCT
admet-835	215	10	random	random	ADJ
admet-835	215	11	forest	forest	NOUN
admet-835	215	12	and	and	CCONJ
admet-835	215	13	bagging	bagging	NOUN
admet-835	215	14	predictors	predictor	NOUN
admet-835	215	15	and	and	CCONJ
admet-835	215	16	for	for	ADP
admet-835	215	17	the	the	DET
admet-835	215	18	vox	vox	PROPN
admet-835	215	19	machinarum	machinarum	PROPN
admet-835	215	20	consensus	consensus	NOUN
admet-835	215	21	classifier	classifier	NOUN
admet-835	215	22	over	over	ADP
admet-835	215	23	avdeef	avdeef	PROPN
admet-835	215	24	’s	’s	PART
admet-835	215	25	average	average	ADJ
admet-835	215	26	log	log	NOUN
admet-835	215	27	s	s	PART
admet-835	215	28	values	value	NOUN
admet-835	215	29	[	[	X
admet-835	215	30	45	45	NUM
admet-835	215	31	]	]	PUNCT
admet-835	215	32	for	for	ADP
admet-835	215	33	all	all	DET
admet-835	215	34	32	32	NUM
admet-835	215	35	compounds	compound	NOUN
admet-835	215	36	comprising	comprise	VERB
admet-835	215	37	the	the	DET
admet-835	215	38	2019	2019	NUM
admet-835	215	39	solubility	solubility	NOUN
admet-835	215	40	challenge	challenge	NOUN
admet-835	215	41	loose	loose	ADJ
admet-835	215	42	test	test	NOUN
admet-835	215	43	set	set	NOUN
admet-835	215	44	of	of	ADP
admet-835	215	45	32	32	NUM
admet-835	215	46	molecules	molecule	NOUN
admet-835	215	47	.	.	PUNCT
admet-835	216	1	the	the	DET
admet-835	216	2	vox	vox	PROPN
admet-835	216	3	machinarum	machinarum	PROPN
admet-835	216	4	predictions	prediction	NOUN
admet-835	216	5	reported	report	VERB
admet-835	216	6	here	here	ADV
admet-835	216	7	were	be	AUX
admet-835	216	8	the	the	DET
admet-835	216	9	median	median	NOUN
admet-835	216	10	of	of	ADP
admet-835	216	11	the	the	DET
admet-835	216	12	other	other	ADJ
admet-835	216	13	three	three	NUM
admet-835	216	14	classifiers	classifier	NOUN
admet-835	216	15	’	’	PART
admet-835	216	16	predictions	prediction	NOUN
admet-835	216	17	for	for	ADP
admet-835	216	18	each	each	DET
admet-835	216	19	compound	compound	NOUN
admet-835	216	20	.	.	PUNCT
admet-835	217	1	the	the	DET
admet-835	217	2	standard	standard	ADJ
admet-835	217	3	deviation	deviation	NOUN
admet-835	217	4	of	of	ADP
admet-835	217	5	the	the	DET
admet-835	217	6	32	32	NUM
admet-835	217	7	compounds	compound	NOUN
admet-835	217	8	’	'	PUNCT
admet-835	217	9	log	log	NOUN
admet-835	217	10	s	s	NOUN
admet-835	217	11	values	value	NOUN
admet-835	217	12	was	be	AUX
admet-835	217	13	2.142	2.142	NUM
admet-835	217	14	.	.	PUNCT
admet-835	218	1	method	method	PROPN
admet-835	218	2	rmse	rmse	PROPN
admet-835	218	3	rmse	rmse	PROPN
admet-835	218	4	/	/	SYM
admet-835	218	5	sd	sd	NOUN
admet-835	218	6	aae	aae	PROPN
admet-835	218	7	r	r	NOUN
admet-835	218	8	2	2	NUM
admet-835	218	9	err	err	NOUN
admet-835	218	10	<	<	X
admet-835	218	11	0.5	0.5	NUM
admet-835	218	12	err	err	NOUN
admet-835	218	13	<	<	X
admet-835	218	14	1.0	1.0	NUM
admet-835	218	15	extra	extra	ADJ
admet-835	218	16	trees	tree	NOUN
admet-835	218	17	1.517	1.517	NUM
admet-835	218	18	0.708	0.708	NUM
admet-835	218	19	1.103	1.103	NUM
admet-835	218	20	0.680	0.680	NUM
admet-835	218	21	10	10	NUM
admet-835	218	22	(	(	PUNCT
admet-835	218	23	31	31	NUM
admet-835	218	24	%	%	NOUN
admet-835	218	25	)	)	PUNCT
admet-835	218	26	19	19	NUM
admet-835	218	27	(	(	PUNCT
admet-835	218	28	59	59	NUM
admet-835	218	29	%	%	NOUN
admet-835	218	30	)	)	PUNCT
admet-835	218	31	random	random	ADJ
admet-835	218	32	forest	forest	NOUN
admet-835	218	33	1.495	1.495	NUM
admet-835	218	34	0.698	0.698	NUM
admet-835	218	35	1.109	1.109	NUM
admet-835	218	36	0.700	0.700	NUM
admet-835	218	37	10	10	NUM
admet-835	218	38	(	(	PUNCT
admet-835	218	39	31	31	NUM
admet-835	218	40	%	%	NOUN
admet-835	218	41	)	)	PUNCT
admet-835	218	42	18	18	NUM
admet-835	218	43	(	(	PUNCT
admet-835	218	44	56	56	NUM
admet-835	218	45	%	%	NOUN
admet-835	218	46	)	)	PUNCT
admet-835	218	47	bagging	bag	VERB
admet-835	218	48	1.549	1.549	NUM
admet-835	218	49	0.723	0.723	NUM
admet-835	218	50	1.160	1.160	NUM
admet-835	218	51	0.708	0.708	NUM
admet-835	218	52	8	8	NUM
admet-835	218	53	(	(	PUNCT
admet-835	218	54	25	25	NUM
admet-835	218	55	%	%	NOUN
admet-835	218	56	)	)	PUNCT
admet-835	218	57	17	17	NUM
admet-835	218	58	(	(	PUNCT
admet-835	218	59	53	53	NUM
admet-835	218	60	%	%	NOUN
admet-835	218	61	)	)	PUNCT
admet-835	219	1	vox	vox	PROPN
admet-835	219	2	machinarum	machinarum	PROPN
admet-835	219	3	1.490	1.490	NUM
admet-835	219	4	0.696	0.696	NUM
admet-835	219	5	1.097	1.097	NUM
admet-835	219	6	0.712	0.712	NUM
admet-835	219	7	11	11	NUM
admet-835	219	8	(	(	PUNCT
admet-835	219	9	38	38	NUM
admet-835	219	10	%	%	NOUN
admet-835	219	11	)	)	PUNCT
admet-835	219	12	18	18	NUM
admet-835	219	13	(	(	PUNCT
admet-835	219	14	56	56	NUM
admet-835	219	15	%	%	NOUN
admet-835	219	16	)	)	PUNCT
admet-835	220	1	it	it	PRON
admet-835	220	2	is	be	AUX
admet-835	220	3	clear	clear	ADJ
admet-835	220	4	from	from	ADP
admet-835	220	5	both	both	CCONJ
admet-835	220	6	the	the	DET
admet-835	220	7	89	89	NUM
admet-835	220	8	v	v	NUM
admet-835	220	9	26	26	NUM
admet-835	220	10	and	and	CCONJ
admet-835	220	11	the	the	DET
admet-835	220	12	100	100	NUM
admet-835	220	13	v	v	NUM
admet-835	220	14	32	32	NUM
admet-835	220	15	tight	tight	ADV
admet-835	220	16	versus	versus	ADP
admet-835	220	17	loose	loose	ADJ
admet-835	220	18	set	set	VERB
admet-835	220	19	comparisons	comparison	NOUN
admet-835	220	20	that	that	SCONJ
admet-835	220	21	the	the	DET
admet-835	220	22	tight	tight	ADJ
admet-835	220	23	set	set	NOUN
admet-835	220	24	is	be	AUX
admet-835	220	25	better	well	ADV
admet-835	220	26	modelled	model	VERB
admet-835	220	27	in	in	ADP
admet-835	220	28	terms	term	NOUN
admet-835	220	29	of	of	ADP
admet-835	220	30	the	the	DET
admet-835	220	31	error	error	NOUN
admet-835	220	32	measures	measure	NOUN
admet-835	220	33	such	such	ADJ
admet-835	220	34	as	as	ADP
admet-835	220	35	rmse	rmse	NOUN
admet-835	220	36	,	,	PUNCT
admet-835	220	37	and	and	CCONJ
admet-835	220	38	also	also	ADV
admet-835	220	39	the	the	DET
admet-835	220	40	proportions	proportion	NOUN
admet-835	220	41	of	of	ADP
admet-835	220	42	correct	correct	ADJ
admet-835	220	43	predictions	prediction	NOUN
admet-835	220	44	within	within	ADP
admet-835	220	45	0.5	0.5	NUM
admet-835	220	46	or	or	CCONJ
admet-835	220	47	1.0	1.0	NUM
admet-835	220	48	logs	log	NOUN
admet-835	220	49	units	unit	NOUN
admet-835	220	50	.	.	PUNCT
admet-835	221	1	the	the	DET
admet-835	221	2	increases	increase	NOUN
admet-835	221	3	in	in	ADP
admet-835	221	4	rmse	rmse	NOUN
admet-835	221	5	between	between	ADP
admet-835	221	6	the	the	DET
admet-835	221	7	100	100	NUM
admet-835	221	8	and	and	CCONJ
admet-835	221	9	32	32	NUM
admet-835	221	10	compound	compound	NOUN
admet-835	221	11	tight	tight	ADJ
admet-835	221	12	and	and	CCONJ
admet-835	221	13	loose	loose	ADJ
admet-835	221	14	sets	set	NOUN
admet-835	221	15	are	be	AUX
admet-835	221	16	in	in	ADP
admet-835	221	17	fact	fact	NOUN
admet-835	221	18	proportionately	proportionately	ADV
admet-835	221	19	smaller	small	ADJ
admet-835	221	20	than	than	ADP
admet-835	221	21	the	the	DET
admet-835	221	22	increases	increase	NOUN
admet-835	221	23	in	in	ADP
admet-835	221	24	the	the	DET
admet-835	221	25	standard	standard	ADJ
admet-835	221	26	deviations	deviation	NOUN
admet-835	221	27	of	of	ADP
admet-835	221	28	the	the	DET
admet-835	221	29	sets	set	NOUN
admet-835	221	30	themselves	themselves	PRON
admet-835	221	31	,	,	PUNCT
admet-835	221	32	such	such	ADJ
admet-835	221	33	that	that	SCONJ
admet-835	221	34	the	the	DET
admet-835	221	35	rmse	rmse	PROPN
admet-835	221	36	/	/	SYM
admet-835	221	37	sd	sd	NOUN
admet-835	221	38	ratios	ratio	NOUN
admet-835	221	39	are	be	AUX
admet-835	221	40	marginally	marginally	ADV
admet-835	221	41	smaller	small	ADJ
admet-835	221	42	for	for	ADP
admet-835	221	43	the	the	DET
admet-835	221	44	loose	loose	ADJ
admet-835	221	45	set	set	NOUN
admet-835	221	46	.	.	PUNCT
admet-835	222	1	modelling	model	VERB
admet-835	222	2	the	the	DET
admet-835	222	3	loose	loose	ADJ
admet-835	222	4	set	set	NOUN
admet-835	222	5	,	,	PUNCT
admet-835	222	6	however	however	ADV
admet-835	222	7	,	,	PUNCT
admet-835	222	8	produces	produce	VERB
admet-835	222	9	a	a	DET
admet-835	222	10	better	well	ADJ
admet-835	222	11	r2	r2	NOUN
admet-835	222	12	.	.	PUNCT
admet-835	223	1	the	the	DET
admet-835	223	2	observation	observation	NOUN
admet-835	223	3	concerning	concern	VERB
admet-835	223	4	r2	r2	PROPN
admet-835	223	5	can	can	AUX
admet-835	223	6	be	be	AUX
admet-835	223	7	explained	explain	VERB
admet-835	223	8	by	by	ADP
admet-835	223	9	the	the	DET
admet-835	223	10	larger	large	ADJ
admet-835	223	11	range	range	NOUN
admet-835	223	12	of	of	ADP
admet-835	223	13	extreme	extreme	ADJ
admet-835	223	14	solubilities	solubility	NOUN
admet-835	223	15	in	in	ADP
admet-835	223	16	the	the	DET
admet-835	223	17	loose	loose	ADJ
admet-835	223	18	set	set	NOUN
admet-835	223	19	,	,	PUNCT
admet-835	223	20	whose	whose	DET
admet-835	223	21	maximum	maximum	ADJ
admet-835	223	22	and	and	CCONJ
admet-835	223	23	minimum	minimum	ADJ
admet-835	223	24	values	value	NOUN
admet-835	223	25	differ	differ	VERB
admet-835	223	26	by	by	ADP
admet-835	223	27	9.16	9.16	NUM
admet-835	223	28	logs	log	NOUN
admet-835	223	29	units	unit	NOUN
admet-835	223	30	compared	compare	VERB
admet-835	223	31	with	with	ADP
admet-835	223	32	a	a	DET
admet-835	223	33	range	range	NOUN
admet-835	223	34	of	of	ADP
admet-835	223	35	only	only	ADV
admet-835	223	36	5.61	5.61	NUM
admet-835	223	37	for	for	ADP
admet-835	223	38	the	the	DET
admet-835	223	39	tight	tight	ADJ
admet-835	223	40	set	set	NOUN
admet-835	223	41	.	.	PUNCT
admet-835	224	1	literature	literature	PROPN
admet-835	224	2	vs.	vs.	ADP
admet-835	224	3	avdeef	avdeef	PROPN
admet-835	224	4	solubilities	solubility	NOUN
admet-835	224	5	for	for	ADP
admet-835	224	6	(	(	PUNCT
admet-835	224	7	89	89	NUM
admet-835	224	8	+	+	NUM
admet-835	224	9	26	26	NUM
admet-835	224	10	)	)	PUNCT
admet-835	224	11	compounds	compound	VERB
admet-835	224	12	the	the	DET
admet-835	224	13	literature	literature	NOUN
admet-835	224	14	and	and	CCONJ
admet-835	224	15	avdeef	avdeef	NOUN
admet-835	224	16	[	[	X
admet-835	224	17	45	45	NUM
admet-835	224	18	]	]	PUNCT
admet-835	224	19	solubilities	solubility	NOUN
admet-835	224	20	were	be	AUX
admet-835	224	21	compared	compare	VERB
admet-835	224	22	over	over	ADP
admet-835	224	23	the	the	DET
admet-835	224	24	available	available	ADJ
admet-835	224	25	sets	set	NOUN
admet-835	224	26	of	of	ADP
admet-835	224	27	89	89	NUM
admet-835	224	28	compounds	compound	NOUN
admet-835	224	29	from	from	ADP
admet-835	224	30	the	the	DET
admet-835	224	31	‘	'	PUNCT
admet-835	224	32	tight	tight	ADJ
admet-835	224	33	’	'	PUNCT
admet-835	224	34	set	set	NOUN
admet-835	224	35	and	and	CCONJ
admet-835	224	36	26	26	NUM
admet-835	224	37	molecules	molecule	NOUN
admet-835	224	38	from	from	ADP
admet-835	224	39	the	the	DET
admet-835	224	40	loose	loose	ADJ
admet-835	224	41	set	set	NOUN
admet-835	224	42	.	.	PUNCT
admet-835	225	1	the	the	DET
admet-835	225	2	results	result	NOUN
admet-835	225	3	are	be	AUX
admet-835	225	4	shown	show	VERB
admet-835	225	5	in	in	ADP
admet-835	225	6	table	table	NOUN
admet-835	225	7	6	6	NUM
admet-835	225	8	,	,	PUNCT
admet-835	225	9	and	and	CCONJ
admet-835	225	10	in	in	ADP
admet-835	225	11	figure	figure	NOUN
admet-835	225	12	5	5	NUM
admet-835	225	13	and	and	CCONJ
admet-835	225	14	figure	figure	VERB
admet-835	225	15	6	6	NUM
admet-835	225	16	.	.	PUNCT
admet-835	226	1	admet	admet	PROPN
admet-835	226	2	&	&	CCONJ
admet-835	226	3	dmpk	dmpk	PROPN
admet-835	226	4	8(3	8(3	NUM
admet-835	226	5	)	)	PUNCT
admet-835	226	6	(	(	PUNCT
admet-835	226	7	2020	2020	NUM
admet-835	226	8	)	)	PUNCT
admet-835	226	9	215	215	NUM
admet-835	226	10	-	-	SYM
admet-835	226	11	250	250	NUM
admet-835	226	12	machine	machine	NOUN
admet-835	226	13	learning	learning	NOUN
admet-835	226	14	models	model	NOUN
admet-835	226	15	for	for	ADP
admet-835	226	16	the	the	DET
admet-835	226	17	2019	2019	NUM
admet-835	226	18	solubility	solubility	NOUN
admet-835	226	19	challenge	challenge	NOUN
admet-835	226	20	doi	doi	NOUN
admet-835	226	21	:	:	PUNCT
admet-835	226	22	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	226	23	225	225	NUM
admet-835	226	24	figure	figure	NOUN
admet-835	226	25	5	5	NUM
admet-835	226	26	.	.	PUNCT
admet-835	227	1	our	our	PRON
admet-835	227	2	sourced	source	VERB
admet-835	227	3	literature	literature	NOUN
admet-835	227	4	logs	log	VERB
admet-835	227	5	values	value	NOUN
admet-835	227	6	(	(	PUNCT
admet-835	227	7	see	see	VERB
admet-835	227	8	table	table	NOUN
admet-835	227	9	a1	a1	NOUN
admet-835	227	10	for	for	ADP
admet-835	227	11	references	reference	NOUN
admet-835	227	12	)	)	PUNCT
admet-835	227	13	plotted	plot	VERB
admet-835	227	14	against	against	ADP
admet-835	227	15	avdeef	avdeef	PROPN
admet-835	227	16	’s	’s	PART
admet-835	227	17	average	average	ADJ
admet-835	227	18	log	log	NOUN
admet-835	227	19	s	s	PART
admet-835	227	20	values	value	NOUN
admet-835	227	21	[	[	X
admet-835	227	22	45	45	NUM
admet-835	227	23	]	]	PUNCT
admet-835	227	24	for	for	ADP
admet-835	227	25	89	89	NUM
admet-835	227	26	compounds	compound	NOUN
admet-835	227	27	from	from	ADP
admet-835	227	28	the	the	DET
admet-835	227	29	2019	2019	NUM
admet-835	227	30	solubility	solubility	NOUN
admet-835	227	31	challenge	challenge	VERB
admet-835	227	32	tight	tight	ADJ
admet-835	227	33	test	test	NOUN
admet-835	227	34	set	set	NOUN
admet-835	227	35	of	of	ADP
admet-835	227	36	100	100	NUM
admet-835	227	37	molecules	molecule	NOUN
admet-835	227	38	.	.	PUNCT
admet-835	228	1	compounds	compound	NOUN
admet-835	228	2	with	with	ADP
admet-835	228	3	differences	difference	NOUN
admet-835	228	4	of	of	ADP
admet-835	228	5	under	under	ADP
admet-835	228	6	0.5	0.5	NUM
admet-835	228	7	(	(	PUNCT
admet-835	228	8	blue	blue	NOUN
admet-835	228	9	)	)	PUNCT
admet-835	228	10	,	,	PUNCT
admet-835	228	11	0.5	0.5	NUM
admet-835	228	12	to	to	PART
admet-835	228	13	1.0	1.0	NUM
admet-835	228	14	(	(	PUNCT
admet-835	228	15	green	green	NOUN
admet-835	228	16	)	)	PUNCT
admet-835	228	17	,	,	PUNCT
admet-835	228	18	1.0	1.0	NUM
admet-835	228	19	to	to	ADP
admet-835	228	20	2.0	2.0	NUM
admet-835	228	21	(	(	PUNCT
admet-835	228	22	orange	orange	PROPN
admet-835	228	23	)	)	PUNCT
admet-835	228	24	,	,	PUNCT
admet-835	228	25	and	and	CCONJ
admet-835	228	26	over	over	ADP
admet-835	228	27	2.0	2.0	NUM
admet-835	228	28	logs	log	NOUN
admet-835	228	29	units	unit	NOUN
admet-835	228	30	(	(	PUNCT
admet-835	228	31	red	red	ADJ
admet-835	228	32	)	)	PUNCT
admet-835	228	33	are	be	AUX
admet-835	228	34	shown	show	VERB
admet-835	228	35	in	in	ADP
admet-835	228	36	their	their	PRON
admet-835	228	37	respective	respective	ADJ
admet-835	228	38	colours	colour	NOUN
admet-835	228	39	.	.	PUNCT
admet-835	229	1	the	the	DET
admet-835	229	2	black	black	ADJ
admet-835	229	3	diagonal	diagonal	ADJ
admet-835	229	4	line	line	NOUN
admet-835	229	5	shows	show	VERB
admet-835	229	6	equality	equality	NOUN
admet-835	229	7	of	of	ADP
admet-835	229	8	literature	literature	NOUN
admet-835	229	9	and	and	CCONJ
admet-835	229	10	avdeef	avdeef	NOUN
admet-835	229	11	solubilities	solubility	NOUN
admet-835	229	12	,	,	PUNCT
admet-835	229	13	while	while	SCONJ
admet-835	229	14	the	the	DET
admet-835	229	15	grey	grey	ADJ
admet-835	229	16	line	line	NOUN
admet-835	229	17	is	be	AUX
admet-835	229	18	a	a	DET
admet-835	229	19	line	line	NOUN
admet-835	229	20	of	of	ADP
admet-835	229	21	best	good	ADJ
admet-835	229	22	fit	fit	ADJ
admet-835	229	23	to	to	ADP
admet-835	229	24	the	the	DET
admet-835	229	25	data	datum	NOUN
admet-835	229	26	.	.	PUNCT
admet-835	230	1	figure	figure	VERB
admet-835	230	2	6	6	NUM
admet-835	230	3	.	.	PUNCT
admet-835	231	1	our	our	PRON
admet-835	231	2	sourced	source	VERB
admet-835	231	3	literature	literature	NOUN
admet-835	231	4	log	log	NOUN
admet-835	231	5	s	s	PART
admet-835	231	6	values	value	NOUN
admet-835	231	7	(	(	PUNCT
admet-835	231	8	see	see	VERB
admet-835	231	9	table	table	NOUN
admet-835	231	10	a1	a1	NOUN
admet-835	231	11	for	for	ADP
admet-835	231	12	references	reference	NOUN
admet-835	231	13	)	)	PUNCT
admet-835	231	14	plotted	plot	VERB
admet-835	231	15	against	against	ADP
admet-835	231	16	avdeef	avdeef	PROPN
admet-835	231	17	’s	’s	PART
admet-835	231	18	average	average	ADJ
admet-835	231	19	log	log	NOUN
admet-835	231	20	s	s	PART
admet-835	231	21	values	value	NOUN
admet-835	231	22	[	[	X
admet-835	231	23	45	45	NUM
admet-835	231	24	]	]	PUNCT
admet-835	231	25	for	for	ADP
admet-835	231	26	26	26	NUM
admet-835	231	27	compounds	compound	NOUN
admet-835	231	28	from	from	ADP
admet-835	231	29	the	the	DET
admet-835	231	30	2019	2019	NUM
admet-835	231	31	solubility	solubility	NOUN
admet-835	231	32	challenge	challenge	NOUN
admet-835	231	33	loose	loose	ADJ
admet-835	231	34	test	test	NOUN
admet-835	231	35	set	set	NOUN
admet-835	231	36	of	of	ADP
admet-835	231	37	32	32	NUM
admet-835	231	38	molecules	molecule	NOUN
admet-835	231	39	.	.	PUNCT
admet-835	232	1	compounds	compound	NOUN
admet-835	232	2	with	with	ADP
admet-835	232	3	differences	difference	NOUN
admet-835	232	4	of	of	ADP
admet-835	232	5	under	under	ADP
admet-835	232	6	0.5	0.5	NUM
admet-835	232	7	(	(	PUNCT
admet-835	232	8	blue	blue	NOUN
admet-835	232	9	)	)	PUNCT
admet-835	232	10	,	,	PUNCT
admet-835	232	11	0.5	0.5	NUM
admet-835	232	12	to	to	PART
admet-835	232	13	1.0	1.0	NUM
admet-835	232	14	(	(	PUNCT
admet-835	232	15	green	green	NOUN
admet-835	232	16	)	)	PUNCT
admet-835	232	17	,	,	PUNCT
admet-835	232	18	1.0	1.0	NUM
admet-835	232	19	to	to	ADP
admet-835	232	20	2.0	2.0	NUM
admet-835	232	21	(	(	PUNCT
admet-835	232	22	orange	orange	PROPN
admet-835	232	23	)	)	PUNCT
admet-835	232	24	,	,	PUNCT
admet-835	232	25	and	and	CCONJ
admet-835	232	26	over	over	ADP
admet-835	232	27	2.0	2.0	NUM
admet-835	232	28	logs	log	NOUN
admet-835	232	29	units	unit	NOUN
admet-835	232	30	(	(	PUNCT
admet-835	232	31	red	red	ADJ
admet-835	232	32	)	)	PUNCT
admet-835	232	33	are	be	AUX
admet-835	232	34	shown	show	VERB
admet-835	232	35	in	in	ADP
admet-835	232	36	their	their	PRON
admet-835	232	37	respective	respective	ADJ
admet-835	232	38	colours	colour	NOUN
admet-835	232	39	.	.	PUNCT
admet-835	233	1	the	the	DET
admet-835	233	2	black	black	ADJ
admet-835	233	3	diagonal	diagonal	ADJ
admet-835	233	4	line	line	NOUN
admet-835	233	5	shows	show	VERB
admet-835	233	6	equality	equality	NOUN
admet-835	233	7	of	of	ADP
admet-835	233	8	literature	literature	NOUN
admet-835	233	9	and	and	CCONJ
admet-835	233	10	avdeef	avdeef	NOUN
admet-835	233	11	solubilities	solubility	NOUN
admet-835	233	12	,	,	PUNCT
admet-835	233	13	while	while	SCONJ
admet-835	233	14	the	the	DET
admet-835	233	15	grey	grey	ADJ
admet-835	233	16	line	line	NOUN
admet-835	233	17	is	be	AUX
admet-835	233	18	a	a	DET
admet-835	233	19	line	line	NOUN
admet-835	233	20	of	of	ADP
admet-835	233	21	best	good	ADJ
admet-835	233	22	fit	fit	ADJ
admet-835	233	23	to	to	ADP
admet-835	233	24	the	the	DET
admet-835	233	25	data	datum	NOUN
admet-835	233	26	.	.	PUNCT
admet-835	234	1	the	the	DET
admet-835	234	2	correspondence	correspondence	NOUN
admet-835	234	3	between	between	ADP
admet-835	234	4	the	the	DET
admet-835	234	5	two	two	NUM
admet-835	234	6	sets	set	NOUN
admet-835	234	7	of	of	ADP
admet-835	234	8	experimental	experimental	ADJ
admet-835	234	9	solubilities	solubility	NOUN
admet-835	234	10	is	be	AUX
admet-835	234	11	clearly	clearly	ADV
admet-835	234	12	rather	rather	ADV
admet-835	234	13	closer	close	ADJ
admet-835	234	14	than	than	ADP
admet-835	234	15	the	the	DET
admet-835	234	16	fits	fit	NOUN
admet-835	234	17	of	of	ADP
admet-835	234	18	the	the	DET
admet-835	234	19	models	model	NOUN
admet-835	234	20	to	to	ADP
admet-835	234	21	either	either	DET
admet-835	234	22	sets	set	NOUN
admet-835	234	23	,	,	PUNCT
admet-835	234	24	comparing	compare	VERB
admet-835	234	25	table	table	NOUN
admet-835	234	26	6	6	NUM
admet-835	234	27	with	with	ADP
admet-835	234	28	tables	table	NOUN
admet-835	234	29	2	2	NUM
admet-835	234	30	and	and	CCONJ
admet-835	234	31	3	3	NUM
admet-835	234	32	.	.	X
admet-835	235	1	there	there	PRON
admet-835	235	2	were	be	VERB
admet-835	235	3	nine	nine	NUM
admet-835	235	4	compounds	compound	NOUN
admet-835	235	5	in	in	ADP
admet-835	235	6	the	the	DET
admet-835	235	7	tight	tight	ADJ
admet-835	235	8	set	set	NOUN
admet-835	235	9	and	and	CCONJ
admet-835	235	10	six	six	NUM
admet-835	235	11	in	in	ADP
admet-835	235	12	the	the	DET
admet-835	235	13	loose	loose	ADJ
admet-835	235	14	set	set	NOUN
admet-835	235	15	where	where	SCONJ
admet-835	235	16	the	the	DET
admet-835	235	17	literature	literature	NOUN
admet-835	235	18	and	and	CCONJ
admet-835	235	19	avdeef	avdeef	PROPN
admet-835	235	20	log	log	PROPN
admet-835	235	21	s	s	PART
admet-835	235	22	values	value	NOUN
admet-835	235	23	differed	differ	VERB
admet-835	235	24	by	by	ADP
admet-835	235	25	more	more	ADJ
admet-835	235	26	than	than	ADP
admet-835	235	27	one	one	NUM
admet-835	235	28	log	log	NOUN
admet-835	235	29	s	s	PART
admet-835	235	30	unit	unit	NOUN
admet-835	235	31	.	.	PUNCT
admet-835	236	1	for	for	ADP
admet-835	236	2	each	each	PRON
admet-835	236	3	of	of	ADP
admet-835	236	4	these	these	PRON
admet-835	236	5	,	,	PUNCT
admet-835	236	6	we	we	PRON
admet-835	236	7	checked	check	VERB
admet-835	236	8	for	for	ADP
admet-835	236	9	errors	error	NOUN
admet-835	236	10	in	in	ADP
admet-835	236	11	our	our	PRON
admet-835	236	12	transcription	transcription	NOUN
admet-835	236	13	of	of	ADP
admet-835	236	14	the	the	DET
admet-835	236	15	literature	literature	NOUN
admet-835	236	16	values	value	NOUN
admet-835	236	17	into	into	ADP
admet-835	236	18	our	our	PRON
admet-835	236	19	database	database	NOUN
admet-835	236	20	and	and	CCONJ
admet-835	236	21	found	find	VERB
admet-835	236	22	no	no	DET
admet-835	236	23	such	such	ADJ
admet-835	236	24	problems	problem	NOUN
admet-835	236	25	.	.	PUNCT
admet-835	237	1	however	however	ADV
admet-835	237	2	,	,	PUNCT
admet-835	237	3	we	we	PRON
admet-835	237	4	note	note	VERB
admet-835	237	5	a	a	DET
admet-835	237	6	wide	wide	ADJ
admet-835	237	7	range	range	NOUN
admet-835	237	8	of	of	ADP
admet-835	237	9	literature	literature	NOUN
admet-835	237	10	values	value	NOUN
admet-835	237	11	for	for	ADP
admet-835	237	12	some	some	DET
admet-835	237	13	molecules	molecule	NOUN
admet-835	237	14	.	.	PUNCT
admet-835	238	1	within	within	ADP
admet-835	238	2	the	the	DET
admet-835	238	3	tight	tight	ADJ
admet-835	238	4	set	set	NOUN
admet-835	238	5	,	,	PUNCT
admet-835	238	6	for	for	ADP
admet-835	238	7	example	example	NOUN
admet-835	238	8	,	,	PUNCT
admet-835	238	9	we	we	PRON
admet-835	238	10	found	find	VERB
admet-835	238	11	values	value	NOUN
admet-835	238	12	for	for	ADP
admet-835	238	13	griseofulvin	griseofulvin	NOUN
admet-835	238	14	of	of	ADP
admet-835	238	15	log	log	NOUN
admet-835	238	16	s	s	PART
admet-835	238	17	=	=	X
admet-835	238	18	-3.25	-3.25	NOUN
admet-835	239	1	[	[	X
admet-835	239	2	47	47	NUM
admet-835	239	3	]	]	PUNCT
admet-835	239	4	as	as	SCONJ
admet-835	239	5	used	use	VERB
admet-835	239	6	in	in	ADP
admet-835	239	7	our	our	PRON
admet-835	239	8	literature	literature	NOUN
admet-835	239	9	set	set	VERB
admet-835	239	10	and	and	CCONJ
admet-835	239	11	-4.83	-4.83	NOUN
admet-835	240	1	[	[	X
admet-835	240	2	31	31	NUM
admet-835	240	3	]	]	PUNCT
admet-835	240	4	,	,	PUNCT
admet-835	240	5	a	a	DET
admet-835	240	6	range	range	NOUN
admet-835	240	7	of	of	ADP
admet-835	240	8	1.58	1.58	NUM
admet-835	240	9	.	.	PUNCT
admet-835	241	1	for	for	ADP
admet-835	241	2	haloperidol	haloperidol	NOUN
admet-835	241	3	,	,	PUNCT
admet-835	241	4	the	the	DET
admet-835	241	5	log	log	NOUN
admet-835	241	6	s	s	NOUN
admet-835	241	7	values	value	NOUN
admet-835	241	8	of	of	ADP
admet-835	241	9	-4.43	-4.43	NUM
admet-835	241	10	[	[	X
admet-835	241	11	47	47	NUM
admet-835	241	12	]	]	PUNCT
admet-835	241	13	from	from	ADP
admet-835	241	14	our	our	PRON
admet-835	241	15	literature	literature	NOUN
admet-835	241	16	set	set	NOUN
admet-835	241	17	,	,	PUNCT
admet-835	241	18	-5.26	-5.26	X
admet-835	241	19	[	[	X
admet-835	241	20	48	48	NUM
admet-835	241	21	]	]	PUNCT
admet-835	241	22	,	,	PUNCT
admet-835	241	23	-5.14	-5.14	PROPN
admet-835	242	1	[	[	X
admet-835	242	2	49	49	NUM
admet-835	242	3	]	]	PUNCT
admet-835	242	4	and	and	CCONJ
admet-835	242	5	-5.77	-5.77	ADJ
admet-835	242	6	[	[	X
admet-835	242	7	50	50	NUM
admet-835	242	8	]	]	PUNCT
admet-835	242	9	,	,	PUNCT
admet-835	242	10	give	give	VERB
admet-835	242	11	a	a	DET
admet-835	242	12	range	range	NOUN
admet-835	242	13	of	of	ADP
admet-835	242	14	1.34	1.34	NUM
admet-835	242	15	.	.	PUNCT
admet-835	243	1	values	value	NOUN
admet-835	243	2	of	of	ADP
admet-835	243	3	-3.40	-3.40	NOUN
admet-835	243	4	and	and	CCONJ
admet-835	243	5	-4.70	-4.70	NUM
admet-835	243	6	for	for	ADP
admet-835	243	7	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	243	8	john	john	PROPN
admet-835	243	9	b.	b.	PROPN
admet-835	243	10	o.	o.	PROPN
admet-835	243	11	mitchell	mitchell	PROPN
admet-835	243	12	admet	admet	PROPN
admet-835	243	13	&	&	CCONJ
admet-835	243	14	dmpk	dmpk	PROPN
admet-835	243	15	8(3	8(3	NUM
admet-835	243	16	)	)	PUNCT
admet-835	243	17	(	(	PUNCT
admet-835	243	18	2020	2020	NUM
admet-835	243	19	)	)	PUNCT
admet-835	243	20	215	215	NUM
admet-835	243	21	-	-	SYM
admet-835	243	22	250	250	NUM
admet-835	243	23	226	226	NUM
admet-835	243	24	cisapride	cisapride	NOUN
admet-835	243	25	,	,	PUNCT
admet-835	243	26	both	both	CCONJ
admet-835	243	27	in	in	ADP
admet-835	243	28	the	the	DET
admet-835	243	29	collection	collection	NOUN
admet-835	244	1	[	[	X
admet-835	244	2	48	48	NUM
admet-835	244	3	]	]	PUNCT
admet-835	244	4	,	,	PUNCT
admet-835	244	5	lead	lead	VERB
admet-835	244	6	to	to	ADP
admet-835	244	7	a	a	DET
admet-835	244	8	log	log	NOUN
admet-835	244	9	s	s	NOUN
admet-835	244	10	range	range	NOUN
admet-835	244	11	of	of	ADP
admet-835	244	12	1.30	1.30	NUM
admet-835	244	13	.	.	PUNCT
admet-835	245	1	this	this	PRON
admet-835	245	2	contrasts	contrast	VERB
admet-835	245	3	with	with	ADP
admet-835	245	4	the	the	DET
admet-835	245	5	average	average	ADJ
admet-835	245	6	interlaboratory	interlaboratory	ADJ
admet-835	245	7	standard	standard	ADJ
admet-835	245	8	deviation	deviation	NOUN
admet-835	245	9	of	of	ADP
admet-835	245	10	0.17	0.17	NUM
admet-835	245	11	log	log	NOUN
admet-835	245	12	s	s	NOUN
admet-835	245	13	units	unit	NOUN
admet-835	245	14	that	that	PRON
admet-835	245	15	avdeef	avdeef	PROPN
admet-835	245	16	obtained	obtain	VERB
admet-835	245	17	for	for	ADP
admet-835	245	18	the	the	DET
admet-835	245	19	tight	tight	ADJ
admet-835	245	20	set	set	VERB
admet-835	245	21	by	by	ADP
admet-835	245	22	careful	careful	ADJ
admet-835	245	23	analysis	analysis	NOUN
admet-835	245	24	of	of	ADP
admet-835	245	25	published	publish	VERB
admet-835	245	26	experimental	experimental	ADJ
admet-835	245	27	data	datum	NOUN
admet-835	245	28	.	.	PUNCT
admet-835	246	1	[	[	X
admet-835	246	2	45	45	NUM
admet-835	246	3	]	]	SYM
admet-835	246	4	table	table	NOUN
admet-835	246	5	6	6	NUM
admet-835	246	6	.	.	PUNCT
admet-835	247	1	statistical	statistical	ADJ
admet-835	247	2	evaluation	evaluation	NOUN
admet-835	247	3	of	of	ADP
admet-835	247	4	the	the	DET
admet-835	247	5	correspondence	correspondence	NOUN
admet-835	247	6	between	between	ADP
admet-835	247	7	our	our	PRON
admet-835	247	8	sourced	source	VERB
admet-835	247	9	literature	literature	NOUN
admet-835	247	10	logs	log	VERB
admet-835	247	11	values	value	NOUN
admet-835	247	12	(	(	PUNCT
admet-835	247	13	see	see	VERB
admet-835	247	14	tables	table	NOUN
admet-835	247	15	a1	a1	NOUN
admet-835	247	16	and	and	CCONJ
admet-835	247	17	a2	a2	PROPN
admet-835	247	18	for	for	ADP
admet-835	247	19	references	reference	NOUN
admet-835	247	20	)	)	PUNCT
admet-835	247	21	for	for	ADP
admet-835	247	22	89	89	NUM
admet-835	247	23	and	and	CCONJ
admet-835	247	24	26	26	NUM
admet-835	247	25	compounds	compound	NOUN
admet-835	247	26	respectively	respectively	ADV
admet-835	247	27	from	from	ADP
admet-835	247	28	the	the	DET
admet-835	247	29	2019	2019	NUM
admet-835	247	30	solubility	solubility	NOUN
admet-835	247	31	challenge	challenge	NOUN
admet-835	247	32	‘	'	PUNCT
admet-835	247	33	tight	tight	ADJ
admet-835	247	34	’	'	PUNCT
admet-835	247	35	and	and	CCONJ
admet-835	247	36	loose	loose	ADJ
admet-835	247	37	test	test	NOUN
admet-835	247	38	sets	set	NOUN
admet-835	247	39	against	against	ADP
admet-835	247	40	avdeef	avdeef	PROPN
admet-835	247	41	’s	’s	PART
admet-835	247	42	average	average	ADJ
admet-835	247	43	log	log	NOUN
admet-835	247	44	s	s	PART
admet-835	247	45	values	value	NOUN
admet-835	247	46	[	[	X
admet-835	247	47	45	45	NUM
admet-835	247	48	]	]	PUNCT
admet-835	247	49	.	.	PUNCT
admet-835	248	1	the	the	DET
admet-835	248	2	literature	literature	NOUN
admet-835	248	3	solubilities	solubility	NOUN
admet-835	248	4	are	be	AUX
admet-835	248	5	treated	treat	VERB
admet-835	248	6	here	here	ADV
admet-835	248	7	as	as	ADP
admet-835	248	8	‘	'	PUNCT
admet-835	248	9	predictions	prediction	NOUN
admet-835	248	10	’	'	PUNCT
admet-835	248	11	and	and	CCONJ
admet-835	248	12	avdeef	avdeef	PROPN
admet-835	248	13	’s	’s	PART
admet-835	248	14	as	as	ADP
admet-835	248	15	the	the	DET
admet-835	248	16	gold	gold	NOUN
admet-835	248	17	standard	standard	NOUN
admet-835	248	18	.	.	PUNCT
admet-835	249	1	set	set	VERB
admet-835	249	2	rmse	rmse	PROPN
admet-835	249	3	rmse	rmse	PROPN
admet-835	249	4	/	/	SYM
admet-835	249	5	sd	sd	NOUN
admet-835	249	6	aae	aae	PROPN
admet-835	249	7	r	r	NOUN
admet-835	249	8	2	2	NUM
admet-835	249	9	err	err	NOUN
admet-835	249	10	<	<	X
admet-835	249	11	0.5	0.5	NUM
admet-835	249	12	err	err	NOUN
admet-835	249	13	<	<	X
admet-835	249	14	1.0	1.0	NUM
admet-835	249	15	89	89	NUM
admet-835	249	16	tight	tight	ADV
admet-835	249	17	0.673	0.673	NUM
admet-835	249	18	0.545	0.545	NUM
admet-835	249	19	0.331	0.331	NUM
admet-835	249	20	0.740	0.740	NUM
admet-835	249	21	73	73	NUM
admet-835	249	22	(	(	PUNCT
admet-835	249	23	82	82	NUM
admet-835	249	24	%	%	NOUN
admet-835	249	25	)	)	PUNCT
admet-835	249	26	80	80	NUM
admet-835	249	27	(	(	PUNCT
admet-835	249	28	90	90	NUM
admet-835	249	29	%	%	NOUN
admet-835	249	30	)	)	PUNCT
admet-835	249	31	26	26	NUM
admet-835	249	32	loose	loose	ADJ
admet-835	249	33	1.547	1.547	NUM
admet-835	249	34	0.706	0.706	NUM
admet-835	249	35	0.963	0.963	NUM
admet-835	249	36	0.541	0.541	NUM
admet-835	249	37	12	12	NUM
admet-835	249	38	(	(	PUNCT
admet-835	249	39	46	46	NUM
admet-835	249	40	%	%	NOUN
admet-835	249	41	)	)	PUNCT
admet-835	249	42	20	20	NUM
admet-835	249	43	(	(	PUNCT
admet-835	249	44	77	77	NUM
admet-835	249	45	%	%	NOUN
admet-835	249	46	)	)	PUNCT
admet-835	249	47	for	for	ADP
admet-835	249	48	the	the	DET
admet-835	249	49	loose	loose	ADJ
admet-835	249	50	set	set	NOUN
admet-835	249	51	,	,	PUNCT
admet-835	249	52	one	one	NUM
admet-835	249	53	published	publish	VERB
admet-835	249	54	value	value	NOUN
admet-835	249	55	of	of	ADP
admet-835	249	56	log	log	NOUN
admet-835	249	57	s	s	PART
admet-835	249	58	=	=	NOUN
admet-835	249	59	-2.95	-2.95	NOUN
admet-835	249	60	for	for	ADP
admet-835	249	61	amiodarone	amiodarone	NOUN
admet-835	249	62	[	[	X
admet-835	249	63	48	48	NUM
admet-835	249	64	]	]	PUNCT
admet-835	249	65	is	be	AUX
admet-835	249	66	a	a	DET
admet-835	249	67	big	big	ADJ
admet-835	249	68	outlier	outlier	NOUN
admet-835	249	69	and	and	CCONJ
admet-835	249	70	should	should	AUX
admet-835	249	71	probably	probably	ADV
admet-835	249	72	be	be	AUX
admet-835	249	73	discounted	discount	VERB
admet-835	249	74	.	.	PUNCT
admet-835	250	1	the	the	DET
admet-835	250	2	same	same	ADJ
admet-835	250	3	collection	collection	NOUN
admet-835	250	4	contains	contain	VERB
admet-835	250	5	the	the	DET
admet-835	250	6	alternative	alternative	ADJ
admet-835	250	7	log	log	NOUN
admet-835	250	8	s	s	PART
admet-835	250	9	=	=	X
admet-835	250	10	-7.17	-7.17	NOUN
admet-835	251	1	[	[	X
admet-835	251	2	48	48	NUM
admet-835	251	3	]	]	PUNCT
admet-835	251	4	,	,	PUNCT
admet-835	251	5	which	which	PRON
admet-835	251	6	is	be	AUX
admet-835	251	7	given	give	VERB
admet-835	251	8	as	as	ADP
admet-835	251	9	an	an	DET
admet-835	251	10	upper	upper	ADJ
admet-835	251	11	bound	bind	VERB
admet-835	251	12	in	in	ADP
admet-835	251	13	[	[	X
admet-835	251	14	50	50	NUM
admet-835	251	15	]	]	PUNCT
admet-835	251	16	,	,	PUNCT
admet-835	251	17	while	while	SCONJ
admet-835	251	18	our	our	PRON
admet-835	251	19	chosen	choose	VERB
admet-835	251	20	literature	literature	NOUN
admet-835	251	21	value	value	NOUN
admet-835	251	22	is	be	AUX
admet-835	251	23	log	log	NOUN
admet-835	251	24	s	s	PART
admet-835	252	1	=	=	X
admet-835	252	2	-8.17	-8.17	PROPN
admet-835	253	1	[	[	X
admet-835	253	2	23	23	NUM
admet-835	253	3	]	]	PUNCT
admet-835	253	4	.	.	PUNCT
admet-835	254	1	for	for	ADP
admet-835	254	2	clofazimine	clofazimine	NOUN
admet-835	254	3	,	,	PUNCT
admet-835	254	4	reference	reference	NOUN
admet-835	254	5	[	[	X
admet-835	254	6	48	48	NUM
admet-835	254	7	]	]	PUNCT
admet-835	254	8	quotes	quote	VERB
admet-835	254	9	three	three	NUM
admet-835	254	10	values	value	NOUN
admet-835	254	11	of	of	ADP
admet-835	254	12	log	log	NOUN
admet-835	254	13	s	s	PROPN
admet-835	254	14	of	of	ADP
admet-835	254	15	-3.70	-3.70	NOUN
admet-835	254	16	,	,	PUNCT
admet-835	254	17	-4.68	-4.68	ADJ
admet-835	254	18	and	and	CCONJ
admet-835	254	19	-5.68	-5.68	ADJ
admet-835	254	20	,	,	PUNCT
admet-835	254	21	while	while	SCONJ
admet-835	254	22	our	our	PRON
admet-835	254	23	chosen	choose	VERB
admet-835	254	24	literature	literature	NOUN
admet-835	254	25	value	value	NOUN
admet-835	254	26	is	be	AUX
admet-835	254	27	-5.80	-5.80	NOUN
admet-835	254	28	[	[	X
admet-835	254	29	47	47	NUM
admet-835	254	30	]	]	PUNCT
admet-835	254	31	;	;	PUNCT
admet-835	254	32	thus	thus	ADV
admet-835	254	33	the	the	DET
admet-835	254	34	range	range	NOUN
admet-835	254	35	is	be	AUX
admet-835	254	36	2.10	2.10	NUM
admet-835	254	37	log	log	NOUN
admet-835	254	38	s	s	PART
admet-835	254	39	units	unit	NOUN
admet-835	254	40	.	.	PUNCT
admet-835	255	1	collection	collection	NOUN
admet-835	256	1	[	[	X
admet-835	256	2	48	48	NUM
admet-835	256	3	]	]	PUNCT
admet-835	256	4	gives	give	VERB
admet-835	256	5	values	value	NOUN
admet-835	256	6	of	of	ADP
admet-835	256	7	-4.27	-4.27	ADJ
admet-835	256	8	,	,	PUNCT
admet-835	256	9	-4.09	-4.09	NUM
admet-835	256	10	and	and	CCONJ
admet-835	256	11	-2.48	-2.48	NUM
admet-835	256	12	for	for	ADP
admet-835	256	13	saquinavir	saquinavir	NOUN
admet-835	256	14	,	,	PUNCT
admet-835	256	15	the	the	DET
admet-835	256	16	range	range	NOUN
admet-835	256	17	being	be	AUX
admet-835	256	18	1.79	1.79	NUM
admet-835	256	19	.	.	PUNCT
admet-835	257	1	for	for	ADP
admet-835	257	2	each	each	PRON
admet-835	257	3	of	of	ADP
admet-835	257	4	amiodarone	amiodarone	PROPN
admet-835	257	5	(	(	PUNCT
admet-835	257	6	avdeef	avdeef	PROPN
admet-835	257	7	’s	’s	PART
admet-835	257	8	log	log	PROPN
admet-835	257	9	s	s	PART
admet-835	257	10	=	=	SYM
admet-835	257	11	-10.40	-10.40	PROPN
admet-835	257	12	)	)	PUNCT
admet-835	257	13	,	,	PUNCT
admet-835	257	14	clofazimine	clofazimine	NOUN
admet-835	257	15	(	(	PUNCT
admet-835	257	16	log	log	NOUN
admet-835	257	17	s	s	NOUN
admet-835	257	18	=	=	NOUN
admet-835	257	19	-9.05	-9.05	NOUN
admet-835	257	20	)	)	PUNCT
admet-835	257	21	,	,	PUNCT
admet-835	257	22	and	and	CCONJ
admet-835	257	23	saquinavir	saquinavir	PROPN
admet-835	257	24	(	(	PUNCT
admet-835	257	25	-5.92	-5.92	NUM
admet-835	257	26	)	)	PUNCT
admet-835	257	27	,	,	PUNCT
admet-835	257	28	avdeef	avdeef	PROPN
admet-835	257	29	’s	’s	PART
admet-835	257	30	smaller	small	ADJ
admet-835	257	31	average	average	ADJ
admet-835	257	32	log	log	NOUN
admet-835	257	33	s	s	PART
admet-835	257	34	[	[	X
admet-835	257	35	45	45	NUM
admet-835	257	36	]	]	PUNCT
admet-835	257	37	values	value	NOUN
admet-835	257	38	fall	fall	VERB
admet-835	257	39	outside	outside	ADP
admet-835	257	40	the	the	DET
admet-835	257	41	range	range	NOUN
admet-835	257	42	of	of	ADP
admet-835	257	43	literature	literature	NOUN
admet-835	257	44	values	value	NOUN
admet-835	257	45	in	in	ADP
admet-835	257	46	our	our	PRON
admet-835	257	47	data	datum	NOUN
admet-835	257	48	.	.	PUNCT
admet-835	258	1	we	we	PRON
admet-835	258	2	have	have	AUX
admet-835	258	3	plotted	plot	VERB
admet-835	258	4	the	the	DET
admet-835	258	5	respective	respective	ADJ
admet-835	258	6	extra	extra	ADJ
admet-835	258	7	trees	tree	NOUN
admet-835	258	8	errors	error	NOUN
admet-835	258	9	when	when	SCONJ
admet-835	258	10	modelling	model	VERB
admet-835	258	11	literature	literature	NOUN
admet-835	258	12	solubilities	solubility	NOUN
admet-835	258	13	against	against	ADP
admet-835	258	14	those	those	PRON
admet-835	258	15	obtained	obtain	VERB
admet-835	258	16	when	when	SCONJ
admet-835	258	17	modelling	modelling	ADJ
admet-835	258	18	avdeef	avdeef	NOUN
admet-835	258	19	solubilities	solubility	NOUN
admet-835	258	20	in	in	ADP
admet-835	258	21	figure	figure	NOUN
admet-835	258	22	a13	a13	NOUN
admet-835	258	23	for	for	ADP
admet-835	258	24	89	89	NUM
admet-835	258	25	compounds	compound	NOUN
admet-835	258	26	from	from	ADP
admet-835	258	27	the	the	DET
admet-835	258	28	tight	tight	ADJ
admet-835	258	29	set	set	VERB
admet-835	258	30	and	and	CCONJ
admet-835	258	31	figure	figure	NOUN
admet-835	258	32	a14	a14	NOUN
admet-835	258	33	for	for	ADP
admet-835	258	34	26	26	NUM
admet-835	258	35	compounds	compound	NOUN
admet-835	258	36	from	from	ADP
admet-835	258	37	the	the	DET
admet-835	258	38	loose	loose	ADJ
admet-835	258	39	set	set	NOUN
admet-835	258	40	.	.	PUNCT
admet-835	259	1	these	these	DET
admet-835	259	2	data	datum	NOUN
admet-835	259	3	show	show	VERB
admet-835	259	4	that	that	SCONJ
admet-835	259	5	each	each	DET
admet-835	259	6	set	set	NOUN
admet-835	259	7	of	of	ADP
admet-835	259	8	solubility	solubility	NOUN
admet-835	259	9	data	datum	NOUN
admet-835	259	10	is	be	AUX
admet-835	259	11	better	well	ADV
admet-835	259	12	modelled	model	VERB
admet-835	259	13	against	against	ADP
admet-835	259	14	either	either	DET
admet-835	259	15	source	source	NOUN
admet-835	259	16	for	for	ADP
admet-835	259	17	similar	similar	ADJ
admet-835	259	18	numbers	number	NOUN
admet-835	259	19	of	of	ADP
admet-835	259	20	compounds	compound	NOUN
admet-835	259	21	.	.	PUNCT
admet-835	260	1	for	for	ADP
admet-835	260	2	seven	seven	NUM
admet-835	260	3	of	of	ADP
admet-835	260	4	the	the	DET
admet-835	260	5	89	89	NUM
admet-835	260	6	compounds	compound	NOUN
admet-835	260	7	the	the	DET
admet-835	260	8	literature	literature	NOUN
admet-835	260	9	solubilities	solubility	NOUN
admet-835	260	10	are	be	AUX
admet-835	260	11	better	well	ADV
admet-835	260	12	modelled	model	VERB
admet-835	260	13	by	by	ADP
admet-835	260	14	0.5	0.5	NUM
admet-835	260	15	log	log	NOUN
admet-835	260	16	s	s	NOUN
admet-835	260	17	units	unit	NOUN
admet-835	260	18	or	or	CCONJ
admet-835	260	19	more	more	ADJ
admet-835	260	20	,	,	PUNCT
admet-835	260	21	and	and	CCONJ
admet-835	260	22	for	for	SCONJ
admet-835	260	23	five	five	NUM
admet-835	260	24	such	such	ADJ
admet-835	260	25	compounds	compound	NOUN
admet-835	260	26	avdeef	avdeef	VERB
admet-835	261	1	[	[	X
admet-835	261	2	45	45	NUM
admet-835	261	3	]	]	PUNCT
admet-835	261	4	solubilities	solubility	NOUN
admet-835	261	5	are	be	AUX
admet-835	261	6	similarly	similarly	ADV
admet-835	261	7	better	well	ADV
admet-835	261	8	modelled	model	VERB
admet-835	261	9	by	by	ADP
admet-835	261	10	at	at	ADV
admet-835	261	11	least	least	ADJ
admet-835	261	12	half	half	DET
admet-835	261	13	a	a	DET
admet-835	261	14	unit	unit	NOUN
admet-835	261	15	.	.	PUNCT
admet-835	262	1	for	for	ADP
admet-835	262	2	the	the	DET
admet-835	262	3	26	26	NUM
admet-835	262	4	compounds	compound	NOUN
admet-835	262	5	in	in	ADP
admet-835	262	6	the	the	DET
admet-835	262	7	loose	loose	ADJ
admet-835	262	8	set	set	NOUN
admet-835	262	9	,	,	PUNCT
admet-835	262	10	six	six	NUM
admet-835	262	11	are	be	AUX
admet-835	262	12	better	well	ADV
admet-835	262	13	modelled	model	VERB
admet-835	262	14	against	against	ADP
admet-835	262	15	each	each	DET
admet-835	262	16	source	source	NOUN
admet-835	262	17	of	of	ADP
admet-835	262	18	solubilities	solubility	NOUN
admet-835	262	19	.	.	PUNCT
admet-835	263	1	however	however	ADV
admet-835	263	2	,	,	PUNCT
admet-835	263	3	bisoprolol	bisoprolol	PROPN
admet-835	263	4	is	be	AUX
admet-835	263	5	a	a	DET
admet-835	263	6	large	large	ADJ
admet-835	263	7	outlier	outlier	NOUN
admet-835	263	8	as	as	SCONJ
admet-835	263	9	discussed	discuss	VERB
admet-835	263	10	above	above	ADV
admet-835	263	11	,	,	PUNCT
admet-835	263	12	and	and	CCONJ
admet-835	263	13	use	use	NOUN
admet-835	263	14	of	of	ADP
admet-835	263	15	the	the	DET
admet-835	263	16	avdeef	avdeef	NOUN
admet-835	263	17	solubility	solubility	NOUN
admet-835	263	18	value	value	NOUN
admet-835	263	19	seems	seem	VERB
admet-835	263	20	preferable	preferable	ADJ
admet-835	263	21	.	.	PUNCT
admet-835	264	1	possible	possible	ADJ
admet-835	264	2	use	use	NOUN
admet-835	264	3	of	of	ADP
admet-835	264	4	modelling	modelling	NOUN
admet-835	264	5	to	to	PART
admet-835	264	6	identify	identify	VERB
admet-835	264	7	erroneous	erroneous	ADJ
admet-835	264	8	solubilities	solubility	NOUN
admet-835	264	9	the	the	DET
admet-835	264	10	typical	typical	ADJ
admet-835	264	11	workflow	workflow	NOUN
admet-835	264	12	in	in	ADP
admet-835	264	13	solubility	solubility	NOUN
admet-835	264	14	modelling	modelling	NOUN
admet-835	264	15	is	be	AUX
admet-835	264	16	to	to	PART
admet-835	264	17	take	take	VERB
admet-835	264	18	the	the	DET
admet-835	264	19	experimental	experimental	ADJ
admet-835	264	20	solubility	solubility	NOUN
admet-835	264	21	data	datum	NOUN
admet-835	264	22	as	as	ADP
admet-835	264	23	a	a	DET
admet-835	264	24	gold	gold	NOUN
admet-835	264	25	standard	standard	NOUN
admet-835	264	26	and	and	CCONJ
admet-835	264	27	test	test	NOUN
admet-835	264	28	computational	computational	ADJ
admet-835	264	29	methods	method	NOUN
admet-835	264	30	against	against	ADP
admet-835	264	31	them	they	PRON
admet-835	264	32	.	.	PUNCT
admet-835	265	1	however	however	ADV
admet-835	265	2	,	,	PUNCT
admet-835	265	3	in	in	ADP
admet-835	265	4	the	the	DET
admet-835	265	5	2008	2008	NUM
admet-835	265	6	solubility	solubility	NOUN
admet-835	265	7	challenge	challenge	NOUN
admet-835	265	8	indomethacin	indomethacin	NOUN
admet-835	265	9	was	be	AUX
admet-835	265	10	consistently	consistently	ADV
admet-835	265	11	amongst	amongst	ADP
admet-835	265	12	the	the	DET
admet-835	265	13	worst	bad	ADJ
admet-835	265	14	predicted	predict	VERB
admet-835	265	15	compounds	compound	NOUN
admet-835	265	16	,	,	PUNCT
admet-835	265	17	with	with	ADP
admet-835	265	18	only	only	ADV
admet-835	265	19	four	four	NUM
admet-835	265	20	of	of	ADP
admet-835	265	21	the	the	DET
admet-835	265	22	99	99	NUM
admet-835	265	23	predictions	prediction	NOUN
admet-835	265	24	coming	come	VERB
admet-835	265	25	within	within	ADP
admet-835	265	26	half	half	DET
admet-835	265	27	a	a	DET
admet-835	265	28	log	log	NOUN
admet-835	265	29	s	s	PART
admet-835	265	30	unit	unit	NOUN
admet-835	265	31	of	of	ADP
admet-835	265	32	the	the	DET
admet-835	265	33	ground	ground	NOUN
admet-835	265	34	truth	truth	NOUN
admet-835	265	35	solubility	solubility	NOUN
admet-835	265	36	value	value	NOUN
admet-835	265	37	provided	provide	VERB
admet-835	265	38	[	[	X
admet-835	265	39	25	25	NUM
admet-835	265	40	]	]	PUNCT
admet-835	265	41	.	.	PUNCT
admet-835	266	1	this	this	PRON
admet-835	266	2	led	lead	VERB
admet-835	266	3	to	to	ADP
admet-835	266	4	a	a	DET
admet-835	266	5	re	re	NOUN
admet-835	266	6	-	-	NOUN
admet-835	266	7	appraisal	appraisal	NOUN
admet-835	266	8	of	of	ADP
admet-835	266	9	the	the	DET
admet-835	266	10	experimental	experimental	ADJ
admet-835	266	11	cheqsol	cheqsol	PROPN
admet-835	266	12	solubility	solubility	NOUN
admet-835	266	13	,	,	PUNCT
admet-835	266	14	and	and	CCONJ
admet-835	266	15	to	to	ADP
admet-835	266	16	the	the	DET
admet-835	266	17	realisation	realisation	NOUN
admet-835	266	18	that	that	PRON
admet-835	266	19	indomethacin	indomethacin	PROPN
admet-835	266	20	had	have	AUX
admet-835	266	21	in	in	ADP
admet-835	266	22	fact	fact	NOUN
admet-835	266	23	hydrolysed	hydrolyse	VERB
admet-835	266	24	under	under	ADP
admet-835	266	25	the	the	DET
admet-835	266	26	experimental	experimental	ADJ
admet-835	266	27	conditions	condition	NOUN
admet-835	266	28	used	use	VERB
admet-835	266	29	.	.	PUNCT
admet-835	267	1	thus	thus	ADV
admet-835	267	2	,	,	PUNCT
admet-835	267	3	the	the	DET
admet-835	267	4	solubility	solubility	NOUN
admet-835	267	5	value	value	NOUN
admet-835	267	6	provided	provide	VERB
admet-835	267	7	was	be	AUX
admet-835	267	8	corrected	correct	VERB
admet-835	267	9	by	by	ADP
admet-835	267	10	comer	comer	PROPN
admet-835	267	11	et	et	PROPN
admet-835	267	12	al	al	PROPN
admet-835	267	13	.	.	PUNCT
admet-835	268	1	[	[	X
admet-835	268	2	51	51	NUM
admet-835	268	3	]	]	PUNCT
admet-835	268	4	using	use	VERB
admet-835	268	5	a	a	DET
admet-835	268	6	revised	revise	VERB
admet-835	268	7	cheqsol	cheqsol	ADJ
admet-835	268	8	protocol	protocol	NOUN
admet-835	268	9	.	.	PUNCT
admet-835	269	1	in	in	ADP
admet-835	269	2	this	this	DET
admet-835	269	3	work	work	NOUN
admet-835	269	4	,	,	PUNCT
admet-835	269	5	only	only	ADV
admet-835	269	6	three	three	NUM
admet-835	269	7	models	model	NOUN
admet-835	269	8	all	all	PRON
admet-835	269	9	based	base	VERB
admet-835	269	10	on	on	ADP
admet-835	269	11	similar	similar	ADJ
admet-835	269	12	methodologies	methodology	NOUN
admet-835	269	13	and	and	CCONJ
admet-835	269	14	identical	identical	ADJ
admet-835	269	15	descriptors	descriptor	NOUN
admet-835	269	16	have	have	AUX
admet-835	269	17	been	be	AUX
admet-835	269	18	used	use	VERB
admet-835	269	19	,	,	PUNCT
admet-835	269	20	so	so	CCONJ
admet-835	269	21	the	the	DET
admet-835	269	22	weight	weight	NOUN
admet-835	269	23	of	of	ADP
admet-835	269	24	evidence	evidence	NOUN
admet-835	269	25	could	could	AUX
admet-835	269	26	not	not	PART
admet-835	269	27	approach	approach	VERB
admet-835	269	28	that	that	PRON
admet-835	269	29	of	of	ADP
admet-835	269	30	99	99	NUM
admet-835	269	31	independent	independent	ADJ
admet-835	269	32	predictors	predictor	NOUN
admet-835	269	33	.	.	PUNCT
admet-835	270	1	however	however	ADV
admet-835	270	2	,	,	PUNCT
admet-835	270	3	when	when	SCONJ
admet-835	270	4	the	the	DET
admet-835	270	5	full	full	ADJ
admet-835	270	6	results	result	NOUN
admet-835	270	7	of	of	ADP
admet-835	270	8	the	the	DET
admet-835	270	9	2019	2019	NUM
admet-835	270	10	solubility	solubility	NOUN
admet-835	270	11	challenge	challenge	NOUN
admet-835	270	12	are	be	AUX
admet-835	270	13	available	available	ADJ
admet-835	270	14	and	and	CCONJ
admet-835	270	15	analysed	analyse	VERB
admet-835	270	16	,	,	PUNCT
admet-835	270	17	it	it	PRON
admet-835	270	18	can	can	AUX
admet-835	270	19	be	be	AUX
admet-835	270	20	anticipated	anticipate	VERB
admet-835	270	21	that	that	SCONJ
admet-835	270	22	any	any	PRON
admet-835	270	23	consistently	consistently	ADV
admet-835	270	24	poorly	poorly	ADV
admet-835	270	25	modelled	model	VERB
admet-835	270	26	solubilities	solubility	NOUN
admet-835	270	27	should	should	AUX
admet-835	270	28	be	be	AUX
admet-835	270	29	revisited	revisit	VERB
admet-835	270	30	.	.	PUNCT
admet-835	271	1	in	in	ADP
admet-835	271	2	the	the	DET
admet-835	271	3	case	case	NOUN
admet-835	271	4	of	of	ADP
admet-835	271	5	bisoprolol	bisoprolol	NOUN
admet-835	271	6	,	,	PUNCT
admet-835	271	7	only	only	ADV
admet-835	271	8	a	a	DET
admet-835	271	9	single	single	ADJ
admet-835	271	10	literature	literature	NOUN
admet-835	271	11	value	value	NOUN
admet-835	271	12	was	be	AUX
admet-835	271	13	found	find	VERB
admet-835	271	14	in	in	ADP
admet-835	271	15	a	a	DET
admet-835	271	16	secondary	secondary	ADJ
admet-835	271	17	source	source	NOUN
admet-835	271	18	for	for	ADP
admet-835	271	19	our	our	PRON
admet-835	271	20	self	self	NOUN
admet-835	271	21	-	-	PUNCT
admet-835	271	22	assessment	assessment	NOUN
admet-835	271	23	.	.	PUNCT
admet-835	272	1	clearly	clearly	ADV
admet-835	272	2	,	,	PUNCT
admet-835	272	3	avdeef	avdeef	PROPN
admet-835	272	4	’s	’s	PART
admet-835	272	5	approach	approach	NOUN
admet-835	272	6	of	of	ADP
admet-835	272	7	careful	careful	ADJ
admet-835	272	8	analysis	analysis	NOUN
admet-835	272	9	of	of	ADP
admet-835	272	10	experimental	experimental	ADJ
admet-835	272	11	data	datum	NOUN
admet-835	272	12	would	would	AUX
admet-835	272	13	be	be	AUX
admet-835	272	14	likely	likely	ADJ
admet-835	272	15	to	to	PART
admet-835	272	16	quickly	quickly	ADV
admet-835	272	17	identify	identify	VERB
admet-835	272	18	such	such	DET
admet-835	272	19	a	a	DET
admet-835	272	20	value	value	NOUN
admet-835	272	21	as	as	ADP
admet-835	272	22	an	an	DET
admet-835	272	23	outlier	outlier	NOUN
admet-835	272	24	.	.	PUNCT
admet-835	273	1	are	be	AUX
admet-835	273	2	avdeef	avdeef	PROPN
admet-835	273	3	’s	’s	PART
admet-835	273	4	solubilities	solubility	NOUN
admet-835	273	5	better	well	ADV
admet-835	273	6	than	than	ADP
admet-835	273	7	literature	literature	NOUN
admet-835	273	8	ones	one	NOUN
admet-835	273	9	?	?	PUNCT
admet-835	274	1	nonetheless	nonetheless	ADV
admet-835	274	2	,	,	PUNCT
admet-835	274	3	it	it	PRON
admet-835	274	4	does	do	AUX
admet-835	274	5	not	not	PART
admet-835	274	6	necessarily	necessarily	ADV
admet-835	274	7	follow	follow	VERB
admet-835	274	8	that	that	SCONJ
admet-835	274	9	the	the	DET
admet-835	274	10	carefully	carefully	ADV
admet-835	274	11	curated	curate	VERB
admet-835	274	12	avdeef	avdeef	NOUN
admet-835	274	13	solubilities	solubility	NOUN
admet-835	274	14	[	[	X
admet-835	274	15	45	45	NUM
admet-835	274	16	]	]	PUNCT
admet-835	274	17	are	be	AUX
admet-835	274	18	clearly	clearly	ADV
admet-835	274	19	better	well	ADJ
admet-835	274	20	in	in	ADP
admet-835	274	21	all	all	DET
admet-835	274	22	respects	respect	NOUN
admet-835	274	23	than	than	ADP
admet-835	274	24	literature	literature	NOUN
admet-835	274	25	-	-	PUNCT
admet-835	274	26	harvested	harvest	VERB
admet-835	274	27	ones	one	NOUN
admet-835	274	28	,	,	PUNCT
admet-835	274	29	especially	especially	ADV
admet-835	274	30	once	once	SCONJ
admet-835	274	31	clear	clear	ADJ
admet-835	274	32	outliers	outlier	NOUN
admet-835	274	33	are	be	AUX
admet-835	274	34	identified	identify	VERB
admet-835	274	35	.	.	PUNCT
admet-835	275	1	in	in	ADP
admet-835	275	2	[	[	X
admet-835	275	3	52	52	NUM
admet-835	275	4	]	]	PUNCT
admet-835	275	5	we	we	PRON
admet-835	275	6	showed	show	VERB
admet-835	275	7	that	that	SCONJ
admet-835	275	8	models	model	NOUN
admet-835	275	9	trained	train	VERB
admet-835	275	10	and	and	CCONJ
admet-835	275	11	tested	test	VERB
admet-835	275	12	on	on	ADP
admet-835	275	13	supposedly	supposedly	ADV
admet-835	275	14	more	more	ADV
admet-835	275	15	accurate	accurate	ADJ
admet-835	275	16	experimental	experimental	ADJ
admet-835	275	17	solubility	solubility	NOUN
admet-835	275	18	data	datum	NOUN
admet-835	275	19	were	be	AUX
admet-835	275	20	no	no	DET
admet-835	275	21	admet	admet	NOUN
admet-835	275	22	&	&	CCONJ
admet-835	275	23	dmpk	dmpk	PROPN
admet-835	275	24	8(3	8(3	NUM
admet-835	275	25	)	)	PUNCT
admet-835	275	26	(	(	PUNCT
admet-835	275	27	2020	2020	NUM
admet-835	275	28	)	)	PUNCT
admet-835	275	29	215	215	NUM
admet-835	275	30	-	-	SYM
admet-835	275	31	250	250	NUM
admet-835	275	32	machine	machine	NOUN
admet-835	275	33	learning	learning	NOUN
admet-835	275	34	models	model	NOUN
admet-835	275	35	for	for	ADP
admet-835	275	36	the	the	DET
admet-835	275	37	2019	2019	NUM
admet-835	275	38	solubility	solubility	NOUN
admet-835	275	39	challenge	challenge	NOUN
admet-835	275	40	doi	doi	NOUN
admet-835	275	41	:	:	PUNCT
admet-835	275	42	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	275	43	227	227	NUM
admet-835	275	44	better	well	ADJ
admet-835	275	45	than	than	ADP
admet-835	275	46	corresponding	correspond	VERB
admet-835	275	47	models	model	NOUN
admet-835	275	48	based	base	VERB
admet-835	275	49	on	on	ADP
admet-835	275	50	data	datum	NOUN
admet-835	275	51	harvested	harvest	VERB
admet-835	275	52	from	from	ADP
admet-835	275	53	the	the	DET
admet-835	275	54	literature	literature	NOUN
admet-835	275	55	.	.	PUNCT
admet-835	276	1	in	in	ADP
admet-835	276	2	the	the	DET
admet-835	276	3	present	present	ADJ
admet-835	276	4	paper	paper	NOUN
admet-835	276	5	we	we	PRON
admet-835	276	6	are	be	AUX
admet-835	276	7	comparing	compare	VERB
admet-835	276	8	only	only	ADV
admet-835	276	9	testing	testing	NOUN
admet-835	276	10	on	on	ADP
admet-835	276	11	different	different	ADJ
admet-835	276	12	sets	set	NOUN
admet-835	276	13	,	,	PUNCT
admet-835	276	14	but	but	CCONJ
admet-835	276	15	again	again	ADV
admet-835	276	16	there	there	PRON
admet-835	276	17	appears	appear	VERB
admet-835	276	18	not	not	PART
admet-835	276	19	to	to	PART
admet-835	276	20	be	be	AUX
admet-835	276	21	any	any	DET
admet-835	276	22	significant	significant	ADJ
admet-835	276	23	difference	difference	NOUN
admet-835	276	24	in	in	ADP
admet-835	276	25	quality	quality	NOUN
admet-835	276	26	between	between	ADP
admet-835	276	27	results	result	NOUN
admet-835	276	28	obtained	obtain	VERB
admet-835	276	29	against	against	ADP
admet-835	276	30	largely	largely	ADV
admet-835	276	31	literature	literature	NOUN
admet-835	276	32	-	-	PUNCT
admet-835	276	33	harvested	harvest	VERB
admet-835	276	34	[	[	X
admet-835	276	35	30,47,48,53,54	30,47,48,53,54	NUM
admet-835	276	36	]	]	PUNCT
admet-835	276	37	or	or	CCONJ
admet-835	276	38	against	against	ADP
admet-835	276	39	avdeef	avdeef	PROPN
admet-835	276	40	’s	’s	PART
admet-835	276	41	[	[	X
admet-835	276	42	45	45	NUM
admet-835	276	43	]	]	PUNCT
admet-835	276	44	solubilities	solubility	NOUN
admet-835	276	45	.	.	PUNCT
admet-835	277	1	however	however	ADV
admet-835	277	2	,	,	PUNCT
admet-835	277	3	around	around	ADP
admet-835	277	4	one	one	NUM
admet-835	277	5	third	third	NOUN
admet-835	277	6	of	of	ADP
admet-835	277	7	our	our	PRON
admet-835	277	8	literature	literature	NOUN
admet-835	277	9	solubilities	solubility	NOUN
admet-835	277	10	are	be	AUX
admet-835	277	11	from	from	ADP
admet-835	277	12	cheqsol	cheqsol	ADJ
admet-835	277	13	experiments	experiment	NOUN
admet-835	277	14	[	[	X
admet-835	277	15	23,25	23,25	X
admet-835	277	16	]	]	PUNCT
admet-835	277	17	originally	originally	ADV
admet-835	277	18	performed	perform	VERB
admet-835	277	19	for	for	ADP
admet-835	277	20	the	the	DET
admet-835	277	21	2008	2008	NUM
admet-835	277	22	solubility	solubility	NOUN
admet-835	277	23	challenge	challenge	NOUN
admet-835	277	24	and	and	CCONJ
admet-835	277	25	would	would	AUX
admet-835	277	26	have	have	AUX
admet-835	277	27	been	be	AUX
admet-835	277	28	considered	consider	VERB
admet-835	277	29	part	part	NOUN
admet-835	277	30	of	of	ADP
admet-835	277	31	the	the	DET
admet-835	277	32	accurate	accurate	ADJ
admet-835	277	33	set	set	NOUN
admet-835	277	34	in	in	ADP
admet-835	277	35	the	the	DET
admet-835	277	36	context	context	NOUN
admet-835	277	37	of	of	ADP
admet-835	277	38	[	[	X
admet-835	277	39	52	52	NUM
admet-835	277	40	]	]	PUNCT
admet-835	277	41	.	.	PUNCT
admet-835	278	1	we	we	PRON
admet-835	278	2	have	have	AUX
admet-835	278	3	firstly	firstly	ADV
admet-835	278	4	demonstrated	demonstrate	VERB
admet-835	278	5	in	in	ADP
admet-835	278	6	this	this	DET
admet-835	278	7	paper	paper	NOUN
admet-835	278	8	that	that	PRON
admet-835	278	9	models	model	NOUN
admet-835	278	10	of	of	ADP
admet-835	278	11	the	the	DET
admet-835	278	12	tight	tight	ADJ
admet-835	278	13	low	low	ADJ
admet-835	278	14	-	-	PUNCT
admet-835	278	15	variance	variance	NOUN
admet-835	278	16	set	set	NOUN
admet-835	278	17	give	give	VERB
admet-835	278	18	a	a	DET
admet-835	278	19	substantially	substantially	ADV
admet-835	278	20	better	well	ADJ
admet-835	278	21	rmse	rmse	NOUN
admet-835	278	22	and	and	CCONJ
admet-835	278	23	more	more	ADV
admet-835	278	24	correct	correct	ADJ
admet-835	278	25	predictions	prediction	NOUN
admet-835	278	26	than	than	SCONJ
admet-835	278	27	do	do	VERB
admet-835	278	28	models	model	NOUN
admet-835	278	29	of	of	ADP
admet-835	278	30	the	the	DET
admet-835	278	31	loose	loose	ADJ
admet-835	278	32	high	high	ADJ
admet-835	278	33	-	-	PUNCT
admet-835	278	34	variance	variance	NOUN
admet-835	278	35	set	set	NOUN
admet-835	278	36	,	,	PUNCT
admet-835	278	37	and	and	CCONJ
admet-835	278	38	we	we	PRON
admet-835	278	39	secondly	secondly	ADV
admet-835	278	40	note	note	VERB
admet-835	278	41	that	that	SCONJ
admet-835	278	42	competently	competently	ADV
admet-835	278	43	executed	execute	VERB
admet-835	278	44	models	model	NOUN
admet-835	278	45	in	in	ADP
admet-835	278	46	the	the	DET
admet-835	278	47	literature	literature	NOUN
admet-835	278	48	[	[	X
admet-835	278	49	3,4	3,4	NUM
admet-835	278	50	,	,	PUNCT
admet-835	278	51	15	15	NUM
admet-835	278	52	-	-	PUNCT
admet-835	278	53	19,21	19,21	NUM
admet-835	278	54	-	-	PUNCT
admet-835	278	55	23,25,27,28,45	23,25,27,28,45	NOUN
admet-835	278	56	]	]	PUNCT
admet-835	278	57	typically	typically	ADV
admet-835	278	58	give	give	VERB
admet-835	278	59	rmse	rmse	ADJ
admet-835	278	60	values	value	NOUN
admet-835	278	61	of	of	ADP
admet-835	278	62	between	between	ADP
admet-835	278	63	0.7	0.7	NUM
admet-835	278	64	and	and	CCONJ
admet-835	278	65	1.1	1.1	NUM
admet-835	278	66	log	log	NOUN
admet-835	278	67	s	s	PART
admet-835	278	68	units	unit	NOUN
admet-835	278	69	.	.	PUNCT
admet-835	279	1	we	we	PRON
admet-835	279	2	interpret	interpret	VERB
admet-835	279	3	the	the	DET
admet-835	279	4	two	two	NUM
admet-835	279	5	observations	observation	NOUN
admet-835	279	6	as	as	ADP
admet-835	279	7	indicating	indicate	VERB
admet-835	279	8	that	that	SCONJ
admet-835	279	9	some	some	DET
admet-835	279	10	test	test	NOUN
admet-835	279	11	sets	set	NOUN
admet-835	279	12	are	be	AUX
admet-835	279	13	harder	hard	ADJ
admet-835	279	14	to	to	PART
admet-835	279	15	model	model	VERB
admet-835	279	16	than	than	ADP
admet-835	279	17	others	other	NOUN
admet-835	279	18	.	.	PUNCT
admet-835	280	1	indeed	indeed	ADV
admet-835	280	2	,	,	PUNCT
admet-835	280	3	we	we	PRON
admet-835	280	4	believe	believe	VERB
admet-835	280	5	that	that	SCONJ
admet-835	280	6	different	different	ADJ
admet-835	280	7	test	test	NOUN
admet-835	280	8	sets	set	NOUN
admet-835	280	9	of	of	ADP
admet-835	280	10	compounds	compound	NOUN
admet-835	280	11	can	can	AUX
admet-835	280	12	differ	differ	VERB
admet-835	280	13	substantially	substantially	ADV
admet-835	280	14	in	in	ADP
admet-835	280	15	difficulty	difficulty	NOUN
admet-835	280	16	of	of	ADP
admet-835	280	17	prediction	prediction	NOUN
admet-835	280	18	.	.	PUNCT
admet-835	281	1	however	however	ADV
admet-835	281	2	,	,	PUNCT
admet-835	281	3	the	the	DET
admet-835	281	4	respective	respective	ADJ
admet-835	281	5	comparisons	comparison	NOUN
admet-835	281	6	of	of	ADP
admet-835	281	7	avdeef	avdeef	NOUN
admet-835	281	8	solubilities	solubility	NOUN
admet-835	281	9	here	here	ADV
admet-835	281	10	and	and	CCONJ
admet-835	281	11	cheqsol	cheqsol	ADJ
admet-835	281	12	solubilities	solubility	NOUN
admet-835	281	13	in	in	ADP
admet-835	281	14	[	[	X
admet-835	281	15	52	52	NUM
admet-835	281	16	]	]	PUNCT
admet-835	281	17	with	with	ADP
admet-835	281	18	literature	literature	NOUN
admet-835	281	19	-	-	PUNCT
admet-835	281	20	harvested	harvest	VERB
admet-835	281	21	data	datum	NOUN
admet-835	281	22	suggest	suggest	VERB
admet-835	281	23	that	that	SCONJ
admet-835	281	24	there	there	PRON
admet-835	281	25	is	be	VERB
admet-835	281	26	little	little	ADJ
admet-835	281	27	obvious	obvious	ADJ
admet-835	281	28	difference	difference	NOUN
admet-835	281	29	in	in	ADP
admet-835	281	30	quality	quality	NOUN
admet-835	281	31	,	,	PUNCT
admet-835	281	32	as	as	SCONJ
admet-835	281	33	expressed	express	VERB
admet-835	281	34	by	by	ADP
admet-835	281	35	ease	ease	NOUN
admet-835	281	36	-	-	PUNCT
admet-835	281	37	of	of	ADP
admet-835	281	38	-	-	PUNCT
admet-835	281	39	modelling	modelling	NOUN
admet-835	281	40	,	,	PUNCT
admet-835	281	41	between	between	ADP
admet-835	281	42	different	different	ADJ
admet-835	281	43	solubility	solubility	NOUN
admet-835	281	44	compilations	compilation	NOUN
admet-835	281	45	covering	cover	VERB
admet-835	281	46	identical	identical	ADJ
admet-835	281	47	sets	set	NOUN
admet-835	281	48	of	of	ADP
admet-835	281	49	compounds	compound	NOUN
admet-835	281	50	,	,	PUNCT
admet-835	281	51	at	at	ADP
admet-835	281	52	least	least	ADJ
admet-835	281	53	once	once	ADV
admet-835	281	54	obviously	obviously	ADV
admet-835	281	55	erroneous	erroneous	ADJ
admet-835	281	56	or	or	CCONJ
admet-835	281	57	outlying	outlying	ADJ
admet-835	281	58	experimental	experimental	ADJ
admet-835	281	59	data	datum	NOUN
admet-835	281	60	points	point	NOUN
admet-835	281	61	are	be	AUX
admet-835	281	62	removed	remove	VERB
admet-835	281	63	.	.	PUNCT
admet-835	282	1	how	how	SCONJ
admet-835	282	2	accurate	accurate	ADJ
admet-835	282	3	are	be	AUX
admet-835	282	4	experimental	experimental	ADJ
admet-835	282	5	solubilities	solubility	NOUN
admet-835	282	6	?	?	PUNCT
admet-835	283	1	we	we	PRON
admet-835	283	2	might	might	AUX
admet-835	283	3	reasonably	reasonably	ADV
admet-835	283	4	conceive	conceive	VERB
admet-835	283	5	of	of	ADP
admet-835	283	6	error	error	NOUN
admet-835	283	7	in	in	ADP
admet-835	283	8	quoted	quote	VERB
admet-835	283	9	solubilities	solubility	NOUN
admet-835	283	10	as	as	SCONJ
admet-835	283	11	comprised	comprise	VERB
admet-835	283	12	loosely	loosely	ADV
admet-835	283	13	of	of	ADP
admet-835	283	14	three	three	NUM
admet-835	283	15	components	component	NOUN
admet-835	283	16	.	.	PUNCT
admet-835	284	1	the	the	DET
admet-835	284	2	first	first	ADJ
admet-835	284	3	is	be	AUX
admet-835	284	4	gross	gross	ADJ
admet-835	284	5	errors	error	NOUN
admet-835	284	6	,	,	PUNCT
admet-835	284	7	which	which	PRON
admet-835	284	8	are	be	AUX
admet-835	284	9	errors	error	NOUN
admet-835	284	10	of	of	ADP
admet-835	284	11	kind	kind	NOUN
admet-835	284	12	rather	rather	ADV
admet-835	284	13	than	than	ADP
admet-835	284	14	degree	degree	NOUN
admet-835	284	15	.	.	PUNCT
admet-835	285	1	this	this	PRON
admet-835	285	2	could	could	AUX
admet-835	285	3	include	include	VERB
admet-835	285	4	performing	perform	VERB
admet-835	285	5	the	the	DET
admet-835	285	6	experiment	experiment	NOUN
admet-835	285	7	on	on	ADP
admet-835	285	8	the	the	DET
admet-835	285	9	wrong	wrong	ADJ
admet-835	285	10	compound	compound	NOUN
admet-835	285	11	,	,	PUNCT
admet-835	285	12	for	for	ADP
admet-835	285	13	example	example	NOUN
admet-835	285	14	due	due	ADP
admet-835	285	15	to	to	ADP
admet-835	285	16	an	an	DET
admet-835	285	17	unanticipated	unanticipated	ADJ
admet-835	285	18	chemical	chemical	NOUN
admet-835	285	19	reaction	reaction	NOUN
admet-835	285	20	in	in	ADP
admet-835	285	21	the	the	DET
admet-835	285	22	assay	assay	NOUN
admet-835	285	23	,	,	PUNCT
admet-835	285	24	as	as	SCONJ
admet-835	285	25	happened	happen	VERB
admet-835	285	26	for	for	ADP
admet-835	285	27	indomethacin	indomethacin	NOUN
admet-835	285	28	in	in	ADP
admet-835	285	29	[	[	X
admet-835	285	30	25	25	NUM
admet-835	285	31	]	]	PUNCT
admet-835	285	32	and	and	CCONJ
admet-835	285	33	was	be	AUX
admet-835	285	34	duly	duly	ADV
admet-835	285	35	corrected	correct	VERB
admet-835	285	36	in	in	ADP
admet-835	285	37	[	[	X
admet-835	285	38	51	51	NUM
admet-835	285	39	]	]	PUNCT
admet-835	285	40	.	.	PUNCT
admet-835	286	1	this	this	PRON
admet-835	286	2	might	might	AUX
admet-835	286	3	also	also	ADV
admet-835	286	4	include	include	VERB
admet-835	286	5	typographical	typographical	ADJ
admet-835	286	6	errors	error	NOUN
admet-835	286	7	such	such	ADJ
admet-835	286	8	as	as	ADP
admet-835	286	9	reporting	report	VERB
admet-835	286	10	log	log	NOUN
admet-835	286	11	s	s	PART
admet-835	286	12	=	=	PUNCT
admet-835	286	13	-1.74	-1.74	PROPN
admet-835	286	14	as	as	ADP
admet-835	286	15	log	log	NOUN
admet-835	286	16	s	s	PART
admet-835	286	17	=	=	SYM
admet-835	286	18	-7.41	-7.41	NOUN
admet-835	286	19	,	,	PUNCT
admet-835	286	20	measuring	measure	VERB
admet-835	286	21	the	the	DET
admet-835	286	22	solubility	solubility	NOUN
admet-835	286	23	of	of	ADP
admet-835	286	24	the	the	DET
admet-835	286	25	wrong	wrong	ADJ
admet-835	286	26	charged	charge	VERB
admet-835	286	27	form	form	NOUN
admet-835	286	28	of	of	ADP
admet-835	286	29	a	a	DET
admet-835	286	30	compound	compound	NOUN
admet-835	286	31	,	,	PUNCT
admet-835	286	32	wrongly	wrongly	ADV
admet-835	286	33	interpreting	interpret	VERB
admet-835	286	34	second	second	ADJ
admet-835	286	35	hand	hand	NOUN
admet-835	286	36	experimental	experimental	ADJ
admet-835	286	37	data	datum	NOUN
admet-835	286	38	,	,	PUNCT
admet-835	286	39	or	or	CCONJ
admet-835	286	40	mistaking	mistake	VERB
admet-835	286	41	kinetic	kinetic	NOUN
admet-835	286	42	for	for	ADP
admet-835	286	43	equilibrium	equilibrium	NOUN
admet-835	286	44	solubilities	solubility	NOUN
admet-835	286	45	as	as	SCONJ
admet-835	286	46	discussed	discuss	VERB
admet-835	286	47	in	in	ADP
admet-835	286	48	[	[	X
admet-835	286	49	24	24	NUM
admet-835	286	50	]	]	PUNCT
admet-835	286	51	.	.	PUNCT
admet-835	287	1	the	the	DET
admet-835	287	2	second	second	ADJ
admet-835	287	3	is	be	AUX
admet-835	287	4	systematic	systematic	ADJ
admet-835	287	5	errors	error	NOUN
admet-835	287	6	,	,	PUNCT
admet-835	287	7	which	which	PRON
admet-835	287	8	might	might	AUX
admet-835	287	9	arise	arise	VERB
admet-835	287	10	between	between	ADP
admet-835	287	11	different	different	ADJ
admet-835	287	12	experimental	experimental	ADJ
admet-835	287	13	protocols	protocol	NOUN
admet-835	287	14	such	such	ADJ
admet-835	287	15	as	as	ADP
admet-835	287	16	shake	shake	VERB
admet-835	287	17	flask	flask	NOUN
admet-835	287	18	versus	versus	ADP
admet-835	287	19	cheqsol	cheqsol	ADJ
admet-835	287	20	,	,	PUNCT
admet-835	287	21	ignoring	ignore	VERB
admet-835	287	22	small	small	ADJ
admet-835	287	23	inconsistencies	inconsistency	NOUN
admet-835	287	24	in	in	ADP
admet-835	287	25	temperature	temperature	NOUN
admet-835	287	26	by	by	ADP
admet-835	287	27	treating	treat	VERB
admet-835	287	28	20	20	NUM
admet-835	287	29	°	°	NOUN
admet-835	287	30	c	c	NOUN
admet-835	287	31	,	,	PUNCT
admet-835	287	32	25	25	NUM
admet-835	287	33	°	°	NOUN
admet-835	287	34	c	c	NOUN
admet-835	287	35	and	and	CCONJ
admet-835	287	36	30	30	NUM
admet-835	287	37	°	°	NOUN
admet-835	287	38	c	c	NOUN
admet-835	287	39	as	as	ADV
admet-835	287	40	equivalent	equivalent	ADJ
admet-835	287	41	,	,	PUNCT
admet-835	287	42	measuring	measure	VERB
admet-835	287	43	solubilities	solubility	NOUN
admet-835	287	44	in	in	ADP
admet-835	287	45	pure	pure	ADJ
admet-835	287	46	solvent	solvent	NOUN
admet-835	287	47	by	by	ADP
admet-835	287	48	approximating	approximate	VERB
admet-835	287	49	from	from	ADP
admet-835	287	50	different	different	ADJ
admet-835	287	51	cosolvent	cosolvent	ADJ
admet-835	287	52	concentrations	concentration	NOUN
admet-835	287	53	,	,	PUNCT
admet-835	287	54	or	or	CCONJ
admet-835	287	55	accepting	accept	VERB
admet-835	287	56	data	datum	NOUN
admet-835	287	57	from	from	ADP
admet-835	287	58	a	a	DET
admet-835	287	59	slightly	slightly	ADV
admet-835	287	60	wrong	wrong	ADJ
admet-835	287	61	ph	ph	NOUN
admet-835	287	62	.	.	PUNCT
admet-835	288	1	the	the	DET
admet-835	288	2	third	third	NOUN
admet-835	288	3	is	be	AUX
admet-835	288	4	random	random	ADJ
admet-835	288	5	error	error	NOUN
admet-835	288	6	between	between	ADP
admet-835	288	7	different	different	ADJ
admet-835	288	8	repetitions	repetition	NOUN
admet-835	288	9	of	of	ADP
admet-835	288	10	the	the	DET
admet-835	288	11	same	same	ADJ
admet-835	288	12	experimental	experimental	ADJ
admet-835	288	13	protocol	protocol	NOUN
admet-835	288	14	in	in	ADP
admet-835	288	15	the	the	DET
admet-835	288	16	same	same	ADJ
admet-835	288	17	laboratory	laboratory	NOUN
admet-835	288	18	,	,	PUNCT
admet-835	288	19	which	which	PRON
admet-835	288	20	is	be	AUX
admet-835	288	21	claimed	claim	VERB
admet-835	288	22	to	to	PART
admet-835	288	23	be	be	AUX
admet-835	288	24	as	as	ADV
admet-835	288	25	low	low	ADJ
admet-835	288	26	as	as	ADP
admet-835	288	27	±0.05	±0.05	PROPN
admet-835	288	28	logs	log	NOUN
admet-835	288	29	units	unit	NOUN
admet-835	288	30	for	for	ADP
admet-835	288	31	cheqsol	cheqsol	NOUN
admet-835	288	32	[	[	X
admet-835	288	33	23	23	NUM
admet-835	288	34	]	]	PUNCT
admet-835	288	35	.	.	PUNCT
admet-835	289	1	avdeef	avdeef	PROPN
admet-835	289	2	’s	’s	PART
admet-835	289	3	work	work	NOUN
admet-835	289	4	divided	divide	VERB
admet-835	289	5	the	the	DET
admet-835	289	6	test	test	NOUN
admet-835	289	7	solubilities	solubility	NOUN
admet-835	289	8	into	into	ADP
admet-835	289	9	a	a	DET
admet-835	289	10	tight	tight	ADJ
admet-835	289	11	set	set	NOUN
admet-835	289	12	(	(	PUNCT
admet-835	289	13	interlaboratory	interlaboratory	ADJ
admet-835	289	14	error	error	NOUN
admet-835	289	15	±0.17	±0.17	PROPN
admet-835	289	16	logs	log	NOUN
admet-835	289	17	units	unit	NOUN
admet-835	289	18	)	)	PUNCT
admet-835	289	19	and	and	CCONJ
admet-835	289	20	a	a	DET
admet-835	289	21	loose	loose	ADJ
admet-835	289	22	set	set	NOUN
admet-835	289	23	(	(	PUNCT
admet-835	289	24	±0.62	±0.62	PROPN
admet-835	289	25	logs	log	NOUN
admet-835	289	26	units	unit	NOUN
admet-835	289	27	)	)	PUNCT
admet-835	289	28	.	.	PUNCT
admet-835	290	1	the	the	DET
admet-835	290	2	loose	loose	ADJ
admet-835	290	3	set	set	NOUN
admet-835	290	4	is	be	AUX
admet-835	290	5	of	of	ADP
admet-835	290	6	essentially	essentially	ADV
admet-835	290	7	the	the	DET
admet-835	290	8	same	same	ADJ
admet-835	290	9	accuracy	accuracy	NOUN
admet-835	290	10	as	as	SCONJ
admet-835	290	11	that	that	PRON
admet-835	290	12	we	we	PRON
admet-835	290	13	envisaged	envisage	VERB
admet-835	290	14	in	in	ADP
admet-835	290	15	[	[	X
admet-835	290	16	52	52	NUM
admet-835	290	17	]	]	PUNCT
admet-835	290	18	.	.	PUNCT
admet-835	291	1	the	the	DET
admet-835	291	2	tight	tight	ADJ
admet-835	291	3	set	set	NOUN
admet-835	291	4	is	be	AUX
admet-835	291	5	claimed	claim	VERB
admet-835	291	6	to	to	PART
admet-835	291	7	be	be	AUX
admet-835	291	8	considerably	considerably	ADV
admet-835	291	9	more	more	ADV
admet-835	291	10	accurate	accurate	ADJ
admet-835	291	11	than	than	ADP
admet-835	291	12	that	that	PRON
admet-835	291	13	and	and	CCONJ
admet-835	291	14	clearly	clearly	ADV
admet-835	291	15	required	require	VERB
admet-835	291	16	considerable	considerable	ADJ
admet-835	291	17	effort	effort	NOUN
admet-835	291	18	in	in	ADP
admet-835	291	19	its	its	PRON
admet-835	291	20	curation	curation	NOUN
admet-835	291	21	.	.	PUNCT
admet-835	292	1	[	[	X
admet-835	292	2	45,46	45,46	NOUN
admet-835	292	3	]	]	X
admet-835	292	4	our	our	PRON
admet-835	292	5	results	result	NOUN
admet-835	292	6	here	here	ADV
admet-835	292	7	indeed	indeed	ADV
admet-835	292	8	demonstrate	demonstrate	VERB
admet-835	292	9	that	that	SCONJ
admet-835	292	10	the	the	DET
admet-835	292	11	tight	tight	ADJ
admet-835	292	12	set	set	NOUN
admet-835	292	13	generates	generate	VERB
admet-835	292	14	substantially	substantially	ADV
admet-835	292	15	smaller	small	ADJ
admet-835	292	16	rmse	rmse	ADJ
admet-835	292	17	values	value	NOUN
admet-835	292	18	and	and	CCONJ
admet-835	292	19	more	more	ADV
admet-835	292	20	correct	correct	ADJ
admet-835	292	21	predictions	prediction	NOUN
admet-835	292	22	at	at	ADP
admet-835	292	23	both	both	CCONJ
admet-835	292	24	the	the	DET
admet-835	292	25	±0.5	±0.5	PROPN
admet-835	292	26	and	and	CCONJ
admet-835	292	27	±1.0	±1.0	PROPN
admet-835	292	28	logs	log	VERB
admet-835	292	29	thresholds	threshold	NOUN
admet-835	292	30	than	than	SCONJ
admet-835	292	31	does	do	VERB
admet-835	292	32	the	the	DET
admet-835	292	33	loose	loose	ADJ
admet-835	292	34	set	set	NOUN
admet-835	292	35	.	.	PUNCT
admet-835	293	1	however	however	ADV
admet-835	293	2	,	,	PUNCT
admet-835	293	3	our	our	PRON
admet-835	293	4	comparison	comparison	NOUN
admet-835	293	5	of	of	ADP
admet-835	293	6	89	89	NUM
admet-835	293	7	literature	literature	NOUN
admet-835	293	8	versus	versus	ADP
admet-835	293	9	avdeef	avdeef	PROPN
admet-835	293	10	solubilities	solubility	NOUN
admet-835	293	11	for	for	ADP
admet-835	293	12	the	the	DET
admet-835	293	13	tight	tight	ADJ
admet-835	293	14	set	set	NOUN
admet-835	293	15	echoes	echo	VERB
admet-835	293	16	reference	reference	NOUN
admet-835	293	17	[	[	X
admet-835	293	18	52	52	NUM
admet-835	293	19	]	]	PUNCT
admet-835	293	20	in	in	ADP
admet-835	293	21	suggesting	suggest	VERB
admet-835	293	22	that	that	SCONJ
admet-835	293	23	a	a	DET
admet-835	293	24	literature	literature	NOUN
admet-835	293	25	-	-	PUNCT
admet-835	293	26	harvested	harvest	VERB
admet-835	293	27	compilation	compilation	NOUN
admet-835	293	28	of	of	ADP
admet-835	293	29	solubilities	solubility	NOUN
admet-835	293	30	for	for	ADP
admet-835	293	31	a	a	DET
admet-835	293	32	given	give	VERB
admet-835	293	33	group	group	NOUN
admet-835	293	34	of	of	ADP
admet-835	293	35	compounds	compound	NOUN
admet-835	293	36	does	do	AUX
admet-835	293	37	not	not	PART
admet-835	293	38	generate	generate	VERB
admet-835	293	39	manifestly	manifestly	ADV
admet-835	293	40	worse	bad	ADJ
admet-835	293	41	models	model	NOUN
admet-835	293	42	than	than	SCONJ
admet-835	293	43	does	do	VERB
admet-835	293	44	a	a	DET
admet-835	293	45	carefully	carefully	ADV
admet-835	293	46	curated	curate	VERB
admet-835	293	47	one	one	NUM
admet-835	293	48	or	or	CCONJ
admet-835	293	49	a	a	DET
admet-835	293	50	newly	newly	ADV
admet-835	293	51	consistently	consistently	ADV
admet-835	293	52	measured	measure	VERB
admet-835	293	53	one	one	NUM
admet-835	293	54	.	.	PUNCT
admet-835	294	1	while	while	SCONJ
admet-835	294	2	the	the	DET
admet-835	294	3	respective	respective	ADJ
admet-835	294	4	avdeef	avdeef	NOUN
admet-835	294	5	[	[	X
admet-835	294	6	45	45	NUM
admet-835	294	7	]	]	PUNCT
admet-835	294	8	and	and	CCONJ
admet-835	294	9	cheqsol	cheqsol	X
admet-835	294	10	[	[	X
admet-835	294	11	24	24	NUM
admet-835	294	12	-	-	SYM
admet-835	294	13	26,52	26,52	NOUN
admet-835	294	14	]	]	X
admet-835	294	15	solubilities	solubility	NOUN
admet-835	294	16	may	may	AUX
admet-835	294	17	ultimately	ultimately	ADV
admet-835	294	18	prove	prove	VERB
admet-835	294	19	to	to	PART
admet-835	294	20	be	be	AUX
admet-835	294	21	more	more	ADV
admet-835	294	22	accurate	accurate	ADJ
admet-835	294	23	than	than	ADP
admet-835	294	24	literature	literature	NOUN
admet-835	294	25	-	-	PUNCT
admet-835	294	26	harvested	harvest	VERB
admet-835	294	27	sets	set	NOUN
admet-835	294	28	for	for	ADP
admet-835	294	29	the	the	DET
admet-835	294	30	same	same	ADJ
admet-835	294	31	compounds	compound	NOUN
admet-835	294	32	,	,	PUNCT
admet-835	294	33	it	it	PRON
admet-835	294	34	is	be	AUX
admet-835	294	35	beyond	beyond	ADP
admet-835	294	36	the	the	DET
admet-835	294	37	power	power	NOUN
admet-835	294	38	of	of	ADP
admet-835	294	39	currently	currently	ADV
admet-835	294	40	used	use	VERB
admet-835	294	41	machine	machine	NOUN
admet-835	294	42	learning	learn	VERB
admet-835	294	43	modelling	model	VERB
admet-835	294	44	methods	method	NOUN
admet-835	294	45	to	to	PART
admet-835	294	46	demonstrate	demonstrate	VERB
admet-835	294	47	this	this	PRON
admet-835	294	48	unambiguously	unambiguously	ADV
admet-835	294	49	.	.	PUNCT
admet-835	295	1	what	what	PRON
admet-835	295	2	is	be	AUX
admet-835	295	3	clear	clear	ADJ
admet-835	295	4	is	be	AUX
admet-835	295	5	that	that	SCONJ
admet-835	295	6	avdeef	avdeef	NOUN
admet-835	295	7	[	[	X
admet-835	295	8	45	45	NUM
admet-835	295	9	]	]	PUNCT
admet-835	295	10	has	have	AUX
admet-835	295	11	at	at	ADP
admet-835	295	12	the	the	DET
admet-835	295	13	very	very	ADV
admet-835	295	14	least	least	ADJ
admet-835	295	15	identified	identify	VERB
admet-835	295	16	a	a	DET
admet-835	295	17	low	low	ADJ
admet-835	295	18	-	-	PUNCT
admet-835	295	19	variance	variance	NOUN
admet-835	295	20	set	set	NOUN
admet-835	295	21	of	of	ADP
admet-835	295	22	easier	easy	ADJ
admet-835	295	23	-	-	PUNCT
admet-835	295	24	to	to	ADP
admet-835	295	25	-	-	PUNCT
admet-835	295	26	model	model	NOUN
admet-835	295	27	compounds	compound	NOUN
admet-835	295	28	and	and	CCONJ
admet-835	295	29	a	a	DET
admet-835	295	30	high	high	ADJ
admet-835	295	31	-	-	PUNCT
admet-835	295	32	variance	variance	NOUN
admet-835	295	33	set	set	NOUN
admet-835	295	34	of	of	ADP
admet-835	295	35	harder	hard	ADJ
admet-835	295	36	-	-	PUNCT
admet-835	295	37	to	to	ADP
admet-835	295	38	-	-	PUNCT
admet-835	295	39	model	model	NOUN
admet-835	295	40	molecules	molecule	NOUN
admet-835	295	41	.	.	PUNCT
admet-835	296	1	how	how	SCONJ
admet-835	296	2	accurate	accurate	ADJ
admet-835	296	3	are	be	AUX
admet-835	296	4	good	good	ADJ
admet-835	296	5	predictive	predictive	ADJ
admet-835	296	6	solubility	solubility	NOUN
admet-835	296	7	models	model	NOUN
admet-835	296	8	?	?	PUNCT
admet-835	297	1	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	PROPN
admet-835	297	2	john	john	PROPN
admet-835	297	3	b.	b.	PROPN
admet-835	297	4	o.	o.	PROPN
admet-835	297	5	mitchell	mitchell	PROPN
admet-835	297	6	admet	admet	PROPN
admet-835	297	7	&	&	CCONJ
admet-835	297	8	dmpk	dmpk	PROPN
admet-835	297	9	8(3	8(3	NUM
admet-835	297	10	)	)	PUNCT
admet-835	297	11	(	(	PUNCT
admet-835	297	12	2020	2020	NUM
admet-835	297	13	)	)	PUNCT
admet-835	297	14	215	215	NUM
admet-835	297	15	-	-	SYM
admet-835	297	16	250	250	NUM
admet-835	297	17	228	228	NUM
admet-835	297	18	as	as	ADP
admet-835	297	19	a	a	DET
admet-835	297	20	simple	simple	ADJ
admet-835	297	21	thought	thought	NOUN
admet-835	297	22	experiment	experiment	NOUN
admet-835	297	23	,	,	PUNCT
admet-835	297	24	we	we	PRON
admet-835	297	25	allow	allow	VERB
admet-835	297	26	could	could	AUX
admet-835	297	27	ourselves	ourselves	PRON
admet-835	297	28	to	to	PART
admet-835	297	29	believe	believe	VERB
admet-835	297	30	that	that	SCONJ
admet-835	297	31	there	there	PRON
admet-835	297	32	is	be	VERB
admet-835	297	33	ultimately	ultimately	ADV
admet-835	297	34	a	a	DET
admet-835	297	35	ground	ground	NOUN
admet-835	297	36	truth	truth	NOUN
admet-835	297	37	intrinsic	intrinsic	ADJ
admet-835	297	38	aqueous	aqueous	ADJ
admet-835	297	39	solubility	solubility	NOUN
admet-835	297	40	for	for	ADP
admet-835	297	41	the	the	DET
admet-835	297	42	stablest	stable	ADJ
admet-835	297	43	crystalline	crystalline	ADJ
admet-835	297	44	polymorph	polymorph	NOUN
admet-835	297	45	of	of	ADP
admet-835	297	46	any	any	DET
admet-835	297	47	given	give	VERB
admet-835	297	48	compound	compound	NOUN
admet-835	297	49	.	.	PUNCT
admet-835	298	1	the	the	DET
admet-835	298	2	reported	report	VERB
admet-835	298	3	error	error	NOUN
admet-835	298	4	of	of	ADP
admet-835	298	5	a	a	DET
admet-835	298	6	model	model	NOUN
admet-835	298	7	is	be	AUX
admet-835	298	8	its	its	PRON
admet-835	298	9	error	error	NOUN
admet-835	298	10	in	in	ADP
admet-835	298	11	reproducing	reproduce	VERB
admet-835	298	12	the	the	DET
admet-835	298	13	reported	report	VERB
admet-835	298	14	experimental	experimental	ADJ
admet-835	298	15	solubilities	solubility	NOUN
admet-835	298	16	.	.	PUNCT
admet-835	299	1	this	this	PRON
admet-835	299	2	will	will	AUX
admet-835	299	3	be	be	AUX
admet-835	299	4	some	some	DET
admet-835	299	5	combination	combination	NOUN
admet-835	299	6	of	of	ADP
admet-835	299	7	the	the	DET
admet-835	299	8	error	error	NOUN
admet-835	299	9	of	of	ADP
admet-835	299	10	the	the	DET
admet-835	299	11	model	model	NOUN
admet-835	299	12	in	in	ADP
admet-835	299	13	predicting	predict	VERB
admet-835	299	14	the	the	DET
admet-835	299	15	ground	ground	NOUN
admet-835	299	16	truth	truth	NOUN
admet-835	299	17	,	,	PUNCT
admet-835	299	18	and	and	CCONJ
admet-835	299	19	the	the	DET
admet-835	299	20	error	error	NOUN
admet-835	299	21	of	of	ADP
admet-835	299	22	experiment	experiment	NOUN
admet-835	299	23	in	in	ADP
admet-835	299	24	matching	match	VERB
admet-835	299	25	up	up	ADP
admet-835	299	26	to	to	ADP
admet-835	299	27	the	the	DET
admet-835	299	28	same	same	ADJ
admet-835	299	29	ultimate	ultimate	ADJ
admet-835	299	30	true	true	ADJ
admet-835	299	31	solubilities	solubility	NOUN
admet-835	299	32	.	.	PUNCT
admet-835	300	1	if	if	SCONJ
admet-835	300	2	these	these	DET
admet-835	300	3	errors	error	NOUN
admet-835	300	4	were	be	AUX
admet-835	300	5	hypothetically	hypothetically	ADV
admet-835	300	6	independent	independent	ADJ
admet-835	300	7	,	,	PUNCT
admet-835	300	8	we	we	PRON
admet-835	300	9	would	would	AUX
admet-835	300	10	approximately	approximately	ADV
admet-835	300	11	expect	expect	VERB
admet-835	300	12	the	the	DET
admet-835	300	13	squares	square	NOUN
admet-835	300	14	of	of	ADP
admet-835	300	15	the	the	DET
admet-835	300	16	components	component	NOUN
admet-835	300	17	to	to	PART
admet-835	300	18	be	be	AUX
admet-835	300	19	additive	additive	ADJ
admet-835	300	20	over	over	ADP
admet-835	300	21	reasonably	reasonably	ADV
admet-835	300	22	large	large	ADJ
admet-835	300	23	datasets	dataset	NOUN
admet-835	300	24	,	,	PUNCT
admet-835	300	25	as	as	ADP
admet-835	300	26	with	with	ADP
admet-835	300	27	the	the	DET
admet-835	300	28	variances	variance	NOUN
admet-835	300	29	of	of	ADP
admet-835	300	30	independent	independent	ADJ
admet-835	300	31	normal	normal	ADJ
admet-835	300	32	distributions	distribution	NOUN
admet-835	300	33	or	or	CCONJ
admet-835	300	34	the	the	DET
admet-835	300	35	opposite	opposite	ADJ
admet-835	300	36	and	and	CCONJ
admet-835	300	37	adjacent	adjacent	ADJ
admet-835	300	38	sides	side	NOUN
admet-835	300	39	of	of	ADP
admet-835	300	40	a	a	DET
admet-835	300	41	rightangled	rightangle	VERB
admet-835	300	42	triangle	triangle	NOUN
admet-835	300	43	.	.	PUNCT
admet-835	301	1	experience	experience	NOUN
admet-835	301	2	of	of	ADP
admet-835	301	3	the	the	DET
admet-835	301	4	field	field	NOUN
admet-835	301	5	[	[	X
admet-835	301	6	3,4,15	3,4,15	NUM
admet-835	301	7	-	-	PUNCT
admet-835	301	8	23,25,27,28,45	23,25,27,28,45	NOUN
admet-835	301	9	]	]	PUNCT
admet-835	301	10	suggests	suggest	VERB
admet-835	301	11	that	that	SCONJ
admet-835	301	12	good	good	ADJ
admet-835	301	13	models	model	NOUN
admet-835	301	14	typically	typically	ADV
admet-835	301	15	have	have	VERB
admet-835	301	16	rmses	rmse	NOUN
admet-835	301	17	of	of	ADP
admet-835	301	18	0.7	0.7	NUM
admet-835	301	19	to	to	PART
admet-835	301	20	1.1	1.1	NUM
admet-835	301	21	logs	log	NOUN
admet-835	301	22	units	unit	NOUN
admet-835	301	23	depending	depend	VERB
admet-835	301	24	on	on	ADP
admet-835	301	25	the	the	DET
admet-835	301	26	difficulty	difficulty	NOUN
admet-835	301	27	of	of	ADP
admet-835	301	28	the	the	DET
admet-835	301	29	test	test	NOUN
admet-835	301	30	sets	set	NOUN
admet-835	301	31	,	,	PUNCT
admet-835	301	32	as	as	SCONJ
admet-835	301	33	noted	note	VERB
admet-835	301	34	above	above	ADV
admet-835	301	35	.	.	PUNCT
admet-835	302	1	if	if	SCONJ
admet-835	302	2	the	the	DET
admet-835	302	3	lower	low	ADJ
admet-835	302	4	estimate	estimate	NOUN
admet-835	302	5	of	of	ADP
admet-835	302	6	around	around	ADP
admet-835	302	7	0.17	0.17	NUM
admet-835	302	8	logs	log	NOUN
admet-835	302	9	units	unit	NOUN
admet-835	302	10	based	base	VERB
admet-835	302	11	on	on	ADP
admet-835	302	12	the	the	DET
admet-835	302	13	tight	tight	ADJ
admet-835	302	14	set	set	NOUN
admet-835	302	15	truly	truly	ADV
admet-835	302	16	reflects	reflect	VERB
admet-835	302	17	the	the	DET
admet-835	302	18	likely	likely	ADJ
admet-835	302	19	accuracy	accuracy	NOUN
admet-835	302	20	of	of	ADP
admet-835	302	21	good	good	ADJ
admet-835	302	22	experimental	experimental	ADJ
admet-835	302	23	data	datum	NOUN
admet-835	302	24	,	,	PUNCT
admet-835	302	25	then	then	ADV
admet-835	302	26	there	there	PRON
admet-835	302	27	is	be	VERB
admet-835	302	28	considerable	considerable	ADJ
admet-835	302	29	remaining	remain	VERB
admet-835	302	30	scope	scope	NOUN
admet-835	302	31	for	for	ADP
admet-835	302	32	models	model	NOUN
admet-835	302	33	to	to	PART
admet-835	302	34	improve	improve	VERB
admet-835	302	35	beyond	beyond	ADP
admet-835	302	36	their	their	PRON
admet-835	302	37	current	current	ADJ
admet-835	302	38	level	level	NOUN
admet-835	302	39	of	of	ADP
admet-835	302	40	accuracy	accuracy	NOUN
admet-835	302	41	.	.	PUNCT
admet-835	303	1	if	if	SCONJ
admet-835	303	2	,	,	PUNCT
admet-835	303	3	however	however	ADV
admet-835	303	4	,	,	PUNCT
admet-835	303	5	the	the	DET
admet-835	303	6	accuracy	accuracy	NOUN
admet-835	303	7	of	of	ADP
admet-835	303	8	typical	typical	ADJ
admet-835	303	9	solubility	solubility	NOUN
admet-835	303	10	data	datum	NOUN
admet-835	303	11	on	on	ADP
admet-835	303	12	which	which	PRON
admet-835	303	13	models	model	NOUN
admet-835	303	14	have	have	AUX
admet-835	303	15	been	be	AUX
admet-835	303	16	trained	train	VERB
admet-835	303	17	and	and	CCONJ
admet-835	303	18	tested	test	VERB
admet-835	303	19	is	be	AUX
admet-835	303	20	in	in	ADP
admet-835	303	21	general	general	ADJ
admet-835	303	22	closer	close	ADV
admet-835	303	23	to	to	ADP
admet-835	303	24	the	the	DET
admet-835	303	25	0.62	0.62	NUM
admet-835	303	26	logs	log	NOUN
admet-835	303	27	of	of	ADP
admet-835	303	28	the	the	DET
admet-835	303	29	loose	loose	ADJ
admet-835	303	30	set	set	NOUN
admet-835	303	31	,	,	PUNCT
admet-835	303	32	then	then	ADV
admet-835	303	33	existing	exist	VERB
admet-835	303	34	models	model	NOUN
admet-835	303	35	have	have	VERB
admet-835	303	36	only	only	ADV
admet-835	303	37	limited	limited	ADJ
admet-835	303	38	scope	scope	NOUN
admet-835	303	39	for	for	ADP
admet-835	303	40	further	further	ADJ
admet-835	303	41	improvement	improvement	NOUN
admet-835	303	42	[	[	X
admet-835	303	43	28	28	NUM
admet-835	303	44	]	]	PUNCT
admet-835	303	45	.	.	PUNCT
admet-835	304	1	detailed	detailed	ADJ
admet-835	304	2	analysis	analysis	NOUN
admet-835	304	3	of	of	ADP
admet-835	304	4	the	the	DET
admet-835	304	5	results	result	NOUN
admet-835	304	6	of	of	ADP
admet-835	304	7	the	the	DET
admet-835	304	8	2019	2019	NUM
admet-835	304	9	solubility	solubility	NOUN
admet-835	304	10	challenge	challenge	NOUN
admet-835	304	11	should	should	AUX
admet-835	304	12	help	help	VERB
admet-835	304	13	to	to	PART
admet-835	304	14	resolve	resolve	VERB
admet-835	304	15	this	this	DET
admet-835	304	16	question	question	NOUN
admet-835	304	17	.	.	PUNCT
admet-835	305	1	finally	finally	ADV
admet-835	305	2	,	,	PUNCT
admet-835	305	3	it	it	PRON
admet-835	305	4	is	be	AUX
admet-835	305	5	hoped	hope	VERB
admet-835	305	6	that	that	SCONJ
admet-835	305	7	some	some	PRON
admet-835	305	8	of	of	ADP
admet-835	305	9	the	the	DET
admet-835	305	10	various	various	ADJ
admet-835	305	11	first	first	ADJ
admet-835	305	12	principles	principle	NOUN
admet-835	305	13	methods	method	NOUN
admet-835	305	14	under	under	ADP
admet-835	305	15	development	development	NOUN
admet-835	305	16	[	[	X
admet-835	305	17	5	5	NUM
admet-835	305	18	-	-	SYM
admet-835	305	19	11	11	NUM
admet-835	305	20	]	]	PUNCT
admet-835	305	21	are	be	AUX
admet-835	305	22	in	in	ADP
admet-835	305	23	due	due	ADJ
admet-835	305	24	course	course	NOUN
admet-835	305	25	tested	test	VERB
admet-835	305	26	on	on	ADP
admet-835	305	27	avdeef	avdeef	PROPN
admet-835	305	28	’s	’s	PART
admet-835	305	29	datasets	dataset	NOUN
admet-835	305	30	,	,	PUNCT
admet-835	305	31	or	or	CCONJ
admet-835	305	32	on	on	ADP
admet-835	305	33	similar	similar	ADJ
admet-835	305	34	reasonably	reasonably	ADV
admet-835	305	35	sized	sized	ADJ
admet-835	305	36	sets	set	NOUN
admet-835	305	37	.	.	PUNCT
admet-835	306	1	as	as	ADV
admet-835	306	2	yet	yet	ADV
admet-835	306	3	,	,	PUNCT
admet-835	306	4	most	most	ADJ
admet-835	306	5	have	have	AUX
admet-835	306	6	been	be	AUX
admet-835	306	7	validated	validate	VERB
admet-835	306	8	on	on	ADP
admet-835	306	9	only	only	ADV
admet-835	306	10	a	a	DET
admet-835	306	11	handful	handful	NOUN
admet-835	306	12	of	of	ADP
admet-835	306	13	compounds	compound	NOUN
admet-835	306	14	.	.	PUNCT
admet-835	307	1	conclusions	conclusion	NOUN
admet-835	307	2	three	three	NUM
admet-835	307	3	machine	machine	NOUN
admet-835	307	4	learning	learning	NOUN
admet-835	307	5	models	model	NOUN
admet-835	307	6	were	be	AUX
admet-835	307	7	submitted	submit	VERB
admet-835	307	8	to	to	ADP
admet-835	307	9	the	the	DET
admet-835	307	10	2019	2019	NUM
admet-835	307	11	solubility	solubility	NOUN
admet-835	307	12	challenge	challenge	NOUN
admet-835	307	13	.	.	PUNCT
admet-835	308	1	one	one	NUM
admet-835	308	2	was	be	AUX
admet-835	308	3	based	base	VERB
admet-835	308	4	on	on	ADP
admet-835	308	5	extra	extra	ADJ
admet-835	308	6	trees	tree	NOUN
admet-835	308	7	,	,	PUNCT
admet-835	308	8	one	one	NUM
admet-835	308	9	on	on	ADP
admet-835	308	10	random	random	ADJ
admet-835	308	11	forest	forest	NOUN
admet-835	308	12	,	,	PUNCT
admet-835	308	13	and	and	CCONJ
admet-835	308	14	the	the	DET
admet-835	308	15	third	third	NOUN
admet-835	308	16	was	be	AUX
admet-835	308	17	a	a	DET
admet-835	308	18	consensus	consensus	NOUN
admet-835	308	19	classifier	classifier	NOUN
admet-835	308	20	which	which	PRON
admet-835	308	21	we	we	PRON
admet-835	308	22	call	call	VERB
admet-835	308	23	vox	vox	PROPN
admet-835	308	24	machinarum	machinarum	PROPN
admet-835	308	25	.	.	PUNCT
admet-835	309	1	the	the	DET
admet-835	309	2	results	result	NOUN
admet-835	309	3	were	be	AUX
admet-835	309	4	analysed	analyse	VERB
admet-835	309	5	for	for	ADP
admet-835	309	6	the	the	DET
admet-835	309	7	low	low	ADJ
admet-835	309	8	-	-	PUNCT
admet-835	309	9	variance	variance	NOUN
admet-835	309	10	tight	tight	ADJ
admet-835	309	11	set	set	NOUN
admet-835	309	12	of	of	ADP
admet-835	309	13	100	100	NUM
admet-835	309	14	compounds	compound	NOUN
admet-835	309	15	and	and	CCONJ
admet-835	309	16	the	the	DET
admet-835	309	17	loose	loose	ADJ
admet-835	309	18	high	high	ADJ
admet-835	309	19	-	-	PUNCT
admet-835	309	20	variance	variance	NOUN
admet-835	309	21	set	set	NOUN
admet-835	309	22	of	of	ADP
admet-835	309	23	32	32	NUM
admet-835	309	24	compounds	compound	NOUN
admet-835	309	25	recently	recently	ADV
admet-835	309	26	published	publish	VERB
admet-835	309	27	by	by	ADP
admet-835	309	28	avdeef	avdeef	PROPN
admet-835	309	29	.	.	PUNCT
admet-835	310	1	on	on	ADP
admet-835	310	2	the	the	DET
admet-835	310	3	tight	tight	ADJ
admet-835	310	4	set	set	NOUN
admet-835	310	5	,	,	PUNCT
admet-835	310	6	the	the	DET
admet-835	310	7	extra	extra	ADJ
admet-835	310	8	trees	tree	NOUN
admet-835	310	9	method	method	NOUN
admet-835	310	10	performed	perform	VERB
admet-835	310	11	best	well	ADV
admet-835	310	12	with	with	ADP
admet-835	310	13	an	an	DET
admet-835	310	14	rmse	rmse	NOUN
admet-835	310	15	of	of	ADP
admet-835	310	16	0.946	0.946	NUM
admet-835	310	17	over	over	ADP
admet-835	310	18	100	100	NUM
admet-835	310	19	compounds	compound	NOUN
admet-835	310	20	.	.	PUNCT
admet-835	311	1	for	for	ADP
admet-835	311	2	the	the	DET
admet-835	311	3	loose	loose	ADJ
admet-835	311	4	set	set	NOUN
admet-835	311	5	,	,	PUNCT
admet-835	311	6	the	the	DET
admet-835	311	7	vox	vox	PROPN
admet-835	311	8	machinarum	machinarum	PROPN
admet-835	311	9	(	(	PUNCT
admet-835	311	10	rmse	rmse	NOUN
admet-835	311	11	=	=	SYM
admet-835	311	12	1.490	1.490	NUM
admet-835	311	13	)	)	PUNCT
admet-835	311	14	and	and	CCONJ
admet-835	311	15	random	random	ADJ
admet-835	311	16	forest	forest	NOUN
admet-835	311	17	(	(	PUNCT
admet-835	311	18	rmse	rmse	NOUN
admet-835	311	19	=	=	SYM
admet-835	311	20	1.495	1.495	NUM
admet-835	311	21	)	)	PUNCT
admet-835	311	22	classifiers	classifier	NOUN
admet-835	311	23	are	be	AUX
admet-835	311	24	best	good	ADJ
admet-835	311	25	and	and	CCONJ
admet-835	311	26	perform	perform	VERB
admet-835	311	27	almost	almost	ADV
admet-835	311	28	equally	equally	ADV
admet-835	311	29	well	well	ADV
admet-835	311	30	.	.	PUNCT
admet-835	312	1	acknowledgements	acknowledgement	NOUN
admet-835	312	2	:	:	PUNCT
admet-835	312	3	the	the	DET
admet-835	312	4	author	author	NOUN
admet-835	312	5	thanks	thank	VERB
admet-835	312	6	numerous	numerous	ADJ
admet-835	312	7	co	co	NOUN
admet-835	312	8	-	-	NOUN
admet-835	312	9	authors	author	NOUN
admet-835	312	10	and	and	CCONJ
admet-835	312	11	colleagues	colleague	NOUN
admet-835	312	12	for	for	ADP
admet-835	312	13	helpful	helpful	ADJ
admet-835	312	14	discussions	discussion	NOUN
admet-835	312	15	,	,	PUNCT
admet-835	312	16	including	include	VERB
admet-835	312	17	samuel	samuel	PROPN
admet-835	312	18	boobier	boobier	NOUN
admet-835	312	19	(	(	PUNCT
admet-835	312	20	leeds	leed	NOUN
admet-835	312	21	)	)	PUNCT
admet-835	312	22	,	,	PUNCT
admet-835	312	23	antonio	antonio	PROPN
admet-835	312	24	llinàs	llinàs	PROPN
admet-835	312	25	(	(	PUNCT
admet-835	312	26	astrazeneca	astrazeneca	PROPN
admet-835	312	27	)	)	PUNCT
admet-835	312	28	,	,	PUNCT
admet-835	312	29	iris	iris	NOUN
admet-835	312	30	martyn	martyn	PROPN
admet-835	312	31	(	(	PUNCT
admet-835	312	32	st	st	PROPN
admet-835	312	33	andrews	andrews	PROPN
admet-835	312	34	)	)	PUNCT
admet-835	312	35	,	,	PUNCT
admet-835	312	36	david	david	PROPN
admet-835	312	37	palmer	palmer	PROPN
admet-835	312	38	(	(	PUNCT
admet-835	312	39	strathclyde	strathclyde	PROPN
admet-835	312	40	)	)	PUNCT
admet-835	312	41	,	,	PUNCT
admet-835	312	42	sally	sally	PROPN
admet-835	312	43	price	price	NOUN
admet-835	312	44	(	(	PUNCT
admet-835	312	45	ucl	ucl	PROPN
admet-835	312	46	)	)	PUNCT
admet-835	312	47	,	,	PUNCT
admet-835	312	48	and	and	CCONJ
admet-835	312	49	rachael	rachael	PROPN
admet-835	312	50	skyner	skyner	PROPN
admet-835	312	51	(	(	PUNCT
admet-835	312	52	diamond	diamond	NOUN
admet-835	312	53	,	,	PUNCT
admet-835	312	54	oxford	oxford	PROPN
admet-835	312	55	)	)	PUNCT
admet-835	312	56	.	.	PUNCT
admet-835	313	1	conflict	conflict	NOUN
admet-835	313	2	of	of	ADP
admet-835	313	3	interest	interest	NOUN
admet-835	313	4	:	:	PUNCT
admet-835	313	5	no	no	DET
admet-835	313	6	conflicts	conflict	NOUN
admet-835	313	7	of	of	ADP
admet-835	313	8	interest	interest	NOUN
admet-835	313	9	arise	arise	VERB
admet-835	313	10	in	in	ADP
admet-835	313	11	relation	relation	NOUN
admet-835	313	12	to	to	ADP
admet-835	313	13	this	this	DET
admet-835	313	14	work	work	NOUN
admet-835	313	15	.	.	PUNCT
admet-835	314	1	references	reference	NOUN
admet-835	314	2	[	[	X
admet-835	314	3	1	1	NUM
admet-835	314	4	]	]	PUNCT
admet-835	314	5	l.	l.	PROPN
admet-835	314	6	di	di	PROPN
admet-835	314	7	,	,	PUNCT
admet-835	314	8	e.	e.	PROPN
admet-835	314	9	h.	h.	PROPN
admet-835	314	10	kerns	kerns	PROPN
admet-835	314	11	,	,	PUNCT
admet-835	314	12	g.t	g.t	PROPN
admet-835	314	13	.	.	PROPN
admet-835	314	14	carter	carter	PROPN
admet-835	314	15	.	.	PUNCT
admet-835	314	16	drug	drug	NOUN
admet-835	314	17	-	-	PUNCT
admet-835	314	18	like	like	ADJ
admet-835	314	19	property	property	NOUN
admet-835	314	20	concepts	concept	NOUN
admet-835	314	21	in	in	ADP
admet-835	314	22	pharmaceutical	pharmaceutical	ADJ
admet-835	314	23	design	design	NOUN
admet-835	314	24	.	.	PUNCT
admet-835	315	1	curr	curr	PROPN
admet-835	315	2	.	.	PUNCT
admet-835	316	1	pharm	pharm	PROPN
admet-835	316	2	.	.	PUNCT
admet-835	317	1	des	des	PROPN
admet-835	317	2	.	.	PROPN
admet-835	317	3	15	15	NUM
admet-835	317	4	(	(	PUNCT
admet-835	317	5	2009	2009	NUM
admet-835	317	6	)	)	PUNCT
admet-835	317	7	2184	2184	NUM
admet-835	317	8	-	-	SYM
admet-835	317	9	2194	2194	NUM
admet-835	317	10	.	.	PUNCT
admet-835	318	1	[	[	X
admet-835	318	2	2	2	X
admet-835	318	3	]	]	X
admet-835	318	4	h.d	h.d	PROPN
admet-835	318	5	.	.	PROPN
admet-835	318	6	williams	williams	PROPN
admet-835	318	7	,	,	PUNCT
admet-835	318	8	n.l	n.l	PROPN
admet-835	318	9	.	.	PROPN
admet-835	318	10	trevaskis	trevaskis	PROPN
admet-835	318	11	,	,	PUNCT
admet-835	318	12	s.a	s.a	PROPN
admet-835	318	13	.	.	PROPN
admet-835	318	14	charman	charman	PROPN
admet-835	318	15	,	,	PUNCT
admet-835	318	16	r.m	r.m	PROPN
admet-835	318	17	.	.	PROPN
admet-835	318	18	shanker	shanker	PROPN
admet-835	318	19	,	,	PUNCT
admet-835	318	20	w.n	w.n	PROPN
admet-835	318	21	.	.	PROPN
admet-835	318	22	charman	charman	PROPN
admet-835	318	23	,	,	PUNCT
admet-835	318	24	c.w	c.w	PROPN
admet-835	318	25	.	.	PROPN
admet-835	318	26	pouton	pouton	PROPN
admet-835	318	27	,	,	PUNCT
admet-835	318	28	c.j.h	c.j.h	ADJ
admet-835	318	29	.	.	PUNCT
admet-835	318	30	porter	porter	NOUN
admet-835	318	31	.	.	PUNCT
admet-835	319	1	strategies	strategy	NOUN
admet-835	319	2	to	to	PART
admet-835	319	3	address	address	VERB
admet-835	319	4	low	low	ADJ
admet-835	319	5	drug	drug	NOUN
admet-835	319	6	solubility	solubility	NOUN
admet-835	319	7	in	in	ADP
admet-835	319	8	discovery	discovery	NOUN
admet-835	319	9	and	and	CCONJ
admet-835	319	10	development	development	NOUN
admet-835	319	11	.	.	PUNCT
admet-835	320	1	pharm	pharm	PROPN
admet-835	320	2	.	.	PUNCT
admet-835	321	1	rev	rev	PROPN
admet-835	321	2	.	.	PROPN
admet-835	322	1	65	65	NUM
admet-835	322	2	(	(	PUNCT
admet-835	322	3	2013	2013	NUM
admet-835	322	4	)	)	PUNCT
admet-835	322	5	315499	315499	NUM
admet-835	322	6	.	.	PUNCT
admet-835	323	1	[	[	X
admet-835	323	2	3	3	X
admet-835	323	3	]	]	X
admet-835	323	4	j.l	j.l	PROPN
admet-835	323	5	.	.	PROPN
admet-835	323	6	mcdonagh	mcdonagh	PROPN
admet-835	323	7	,	,	PUNCT
admet-835	323	8	j.b.o	j.b.o	PROPN
admet-835	323	9	.	.	PROPN
admet-835	323	10	mitchell	mitchell	PROPN
admet-835	323	11	,	,	PUNCT
admet-835	323	12	d.s	d.s	PROPN
admet-835	323	13	.	.	PROPN
admet-835	323	14	palmer	palmer	PROPN
admet-835	323	15	,	,	PUNCT
admet-835	323	16	r.e	r.e	PROPN
admet-835	323	17	.	.	PROPN
admet-835	323	18	skyner	skyner	PROPN
admet-835	323	19	.	.	PUNCT
admet-835	324	1	in	in	ADP
admet-835	324	2	silico	silico	NOUN
admet-835	324	3	methods	method	NOUN
admet-835	324	4	to	to	PART
admet-835	324	5	predict	predict	VERB
admet-835	324	6	solubility	solubility	NOUN
admet-835	324	7	.	.	PUNCT
admet-835	325	1	in	in	ADP
admet-835	325	2	solubility	solubility	NOUN
admet-835	325	3	in	in	ADP
admet-835	325	4	pharmaceutical	pharmaceutical	ADJ
admet-835	325	5	chemistry	chemistry	NOUN
admet-835	325	6	,	,	PUNCT
admet-835	325	7	c.	c.	PROPN
admet-835	325	8	saal	saal	PROPN
admet-835	325	9	,	,	PUNCT
admet-835	325	10	a.	a.	NOUN
admet-835	325	11	nair	nair	PROPN
admet-835	325	12	,	,	PUNCT
admet-835	325	13	eds	ed	NOUN
admet-835	325	14	,	,	PUNCT
admet-835	325	15	de	de	NOUN
admet-835	325	16	gruyter	gruyter	NOUN
admet-835	325	17	,	,	PUNCT
admet-835	325	18	2020	2020	NUM
admet-835	325	19	,	,	PUNCT
admet-835	325	20	p.	p.	NOUN
admet-835	325	21	71	71	NUM
admet-835	325	22	.	.	PUNCT
admet-835	326	1	[	[	X
admet-835	326	2	4	4	X
admet-835	326	3	]	]	PUNCT
admet-835	326	4	c.a.s	c.a.s	PROPN
admet-835	326	5	.	.	PUNCT
admet-835	326	6	bergström	bergström	NOUN
admet-835	326	7	,	,	PUNCT
admet-835	326	8	p.	p.	NOUN
admet-835	326	9	larsson	larsson	PROPN
admet-835	326	10	.	.	PUNCT
admet-835	327	1	computational	computational	ADJ
admet-835	327	2	prediction	prediction	NOUN
admet-835	327	3	of	of	ADP
admet-835	327	4	drug	drug	NOUN
admet-835	327	5	solubility	solubility	NOUN
admet-835	327	6	in	in	ADP
admet-835	327	7	water	water	NOUN
admet-835	327	8	-	-	PUNCT
admet-835	327	9	based	base	VERB
admet-835	327	10	systems	system	NOUN
admet-835	327	11	:	:	PUNCT
admet-835	327	12	qualitative	qualitative	ADJ
admet-835	327	13	and	and	CCONJ
admet-835	327	14	quantitative	quantitative	ADJ
admet-835	327	15	approaches	approach	NOUN
admet-835	327	16	used	use	VERB
admet-835	327	17	in	in	ADP
admet-835	327	18	the	the	DET
admet-835	327	19	current	current	ADJ
admet-835	327	20	drug	drug	NOUN
admet-835	327	21	discovery	discovery	NOUN
admet-835	327	22	and	and	CCONJ
admet-835	327	23	development	development	NOUN
admet-835	327	24	setting	setting	NOUN
admet-835	327	25	.	.	PUNCT
admet-835	328	1	international	international	ADJ
admet-835	328	2	journal	journal	PROPN
admet-835	328	3	of	of	ADP
admet-835	328	4	pharmaceutics	pharmaceutic	NOUN
admet-835	328	5	,	,	PUNCT
admet-835	328	6	540	540	NUM
admet-835	328	7	(	(	PUNCT
admet-835	328	8	2018	2018	NUM
admet-835	328	9	)	)	PUNCT
admet-835	328	10	185	185	NUM
admet-835	328	11	-	-	SYM
admet-835	328	12	193	193	NUM
admet-835	328	13	.	.	PUNCT
admet-835	329	1	https://dx.doi.org/10.1016/j.ijpharm.2018.01.044	https://dx.doi.org/10.1016/j.ijpharm.2018.01.044	PROPN
admet-835	329	2	.	.	PUNCT
admet-835	330	1	https://dx.doi.org/10.1016/j.ijpharm.2018.01.044	https://dx.doi.org/10.1016/j.ijpharm.2018.01.044	PROPN
admet-835	330	2	https://dx.doi.org/10.1016/j.ijpharm.2018.01.044	https://dx.doi.org/10.1016/j.ijpharm.2018.01.044	PROPN
admet-835	330	3	admet	admet	PROPN
admet-835	330	4	&	&	CCONJ
admet-835	330	5	dmpk	dmpk	PROPN
admet-835	330	6	8(3	8(3	NUM
admet-835	330	7	)	)	PUNCT
admet-835	330	8	(	(	PUNCT
admet-835	330	9	2020	2020	NUM
admet-835	330	10	)	)	PUNCT
admet-835	330	11	215	215	NUM
admet-835	330	12	-	-	SYM
admet-835	330	13	250	250	NUM
admet-835	330	14	machine	machine	NOUN
admet-835	330	15	learning	learning	NOUN
admet-835	330	16	models	model	NOUN
admet-835	330	17	for	for	ADP
admet-835	330	18	the	the	DET
admet-835	330	19	2019	2019	NUM
admet-835	330	20	solubility	solubility	NOUN
admet-835	330	21	challenge	challenge	NOUN
admet-835	330	22	doi	doi	NOUN
admet-835	330	23	:	:	PUNCT
admet-835	330	24	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	330	25	229	229	NUM
admet-835	331	1	[	[	X
admet-835	331	2	5	5	NUM
admet-835	331	3	]	]	PUNCT
admet-835	331	4	l.	l.	PROPN
admet-835	331	5	li	li	PROPN
admet-835	331	6	,	,	PUNCT
admet-835	331	7	t.	t.	PROPN
admet-835	331	8	totton	totton	PROPN
admet-835	331	9	,	,	PUNCT
admet-835	331	10	d.	d.	PROPN
admet-835	331	11	frenkel	frenkel	PROPN
admet-835	331	12	.	.	PUNCT
admet-835	332	1	computational	computational	ADJ
admet-835	332	2	methodology	methodology	NOUN
admet-835	332	3	for	for	ADP
admet-835	332	4	solubility	solubility	NOUN
admet-835	332	5	prediction	prediction	NOUN
admet-835	332	6	:	:	PUNCT
admet-835	332	7	application	application	NOUN
admet-835	332	8	to	to	ADP
admet-835	332	9	the	the	DET
admet-835	332	10	sparingly	sparingly	ADV
admet-835	332	11	soluble	soluble	ADJ
admet-835	332	12	solutes	solute	NOUN
admet-835	332	13	.	.	PUNCT
admet-835	333	1	journal	journal	PROPN
admet-835	333	2	of	of	ADP
admet-835	333	3	chemical	chemical	PROPN
admet-835	333	4	physics	physics	PROPN
admet-835	333	5	146	146	NUM
admet-835	333	6	(	(	PUNCT
admet-835	333	7	2017	2017	NUM
admet-835	333	8	)	)	PUNCT
admet-835	333	9	214110	214110	NUM
admet-835	333	10	.	.	PUNCT
admet-835	334	1	http://dx.doi.org/10.1063/1.4983754	http://dx.doi.org/10.1063/1.4983754	PROPN
admet-835	334	2	.	.	PUNCT
admet-835	335	1	[	[	X
admet-835	335	2	6	6	NUM
admet-835	335	3	]	]	PUNCT
admet-835	335	4	s.	s.	PROPN
admet-835	335	5	boothroyd	boothroyd	PROPN
admet-835	335	6	,	,	PUNCT
admet-835	335	7	a.	a.	NOUN
admet-835	335	8	kerridge	kerridge	PROPN
admet-835	335	9	,	,	PUNCT
admet-835	335	10	a.	a.	PROPN
admet-835	335	11	broo	broo	PROPN
admet-835	335	12	,	,	PUNCT
admet-835	335	13	d.	d.	PROPN
admet-835	335	14	buttar	buttar	PROPN
admet-835	335	15	,	,	PUNCT
admet-835	335	16	j.	j.	PROPN
admet-835	335	17	anwar	anwar	PROPN
admet-835	335	18	.	.	PUNCT
admet-835	336	1	solubility	solubility	NOUN
admet-835	336	2	prediction	prediction	NOUN
admet-835	336	3	from	from	ADP
admet-835	336	4	first	first	ADJ
admet-835	336	5	principles	principle	NOUN
admet-835	336	6	:	:	PUNCT
admet-835	336	7	a	a	DET
admet-835	336	8	density	density	NOUN
admet-835	336	9	of	of	ADP
admet-835	336	10	states	state	NOUN
admet-835	336	11	approach	approach	NOUN
admet-835	336	12	.	.	PUNCT
admet-835	337	1	phys	phy	NOUN
admet-835	337	2	.	.	PUNCT
admet-835	338	1	chem	chem	PROPN
admet-835	338	2	.	.	PUNCT
admet-835	339	1	chem	chem	NOUN
admet-835	339	2	.	.	PUNCT
admet-835	340	1	phys	phy	NOUN
admet-835	340	2	.	.	PUNCT
admet-835	341	1	20	20	NUM
admet-835	341	2	(	(	PUNCT
admet-835	341	3	2018	2018	NUM
admet-835	341	4	)	)	PUNCT
admet-835	341	5	20981	20981	NUM
admet-835	341	6	-	-	SYM
admet-835	341	7	20987	20987	NUM
admet-835	341	8	.	.	PUNCT
admet-835	342	1	http://dx.doi.org/	http://dx.doi.org/	DET
admet-835	342	2	10.1039	10.1039	NUM
admet-835	342	3	/	/	SYM
admet-835	342	4	c8cp01786	c8cp01786	NOUN
admet-835	342	5	g.	g.	NOUN
admet-835	342	6	[	[	X
admet-835	342	7	7	7	NUM
admet-835	342	8	]	]	PUNCT
admet-835	342	9	k.	k.	NOUN
admet-835	342	10	lüder	lüder	PROPN
admet-835	342	11	,	,	PUNCT
admet-835	342	12	l.	l.	PROPN
admet-835	342	13	lindfors	lindfors	PROPN
admet-835	342	14	,	,	PUNCT
admet-835	342	15	j.	j.	PROPN
admet-835	342	16	westergren	westergren	PROPN
admet-835	342	17	,	,	PUNCT
admet-835	342	18	s.	s.	PROPN
admet-835	342	19	nordholm	nordholm	PROPN
admet-835	342	20	,	,	PUNCT
admet-835	342	21	r.	r.	PROPN
admet-835	342	22	kjellander	kjellander	PROPN
admet-835	342	23	.	.	PUNCT
admet-835	343	1	in	in	ADP
admet-835	343	2	silico	silico	NOUN
admet-835	343	3	prediction	prediction	NOUN
admet-835	343	4	of	of	ADP
admet-835	343	5	drug	drug	NOUN
admet-835	343	6	solubility	solubility	NOUN
admet-835	343	7	.	.	PUNCT
admet-835	344	1	3	3	X
admet-835	344	2	.	.	X
admet-835	344	3	free	free	ADJ
admet-835	344	4	energy	energy	NOUN
admet-835	344	5	of	of	ADP
admet-835	344	6	solvation	solvation	NOUN
admet-835	344	7	in	in	ADP
admet-835	344	8	pure	pure	ADJ
admet-835	344	9	amorphous	amorphous	ADJ
admet-835	344	10	matter	matter	NOUN
admet-835	344	11	.	.	PUNCT
admet-835	345	1	journal	journal	PROPN
admet-835	345	2	of	of	ADP
admet-835	345	3	physical	physical	ADJ
admet-835	345	4	chemistry	chemistry	PROPN
admet-835	345	5	b.	b.	PROPN
admet-835	345	6	111	111	NUM
admet-835	345	7	(	(	PUNCT
admet-835	345	8	2007	2007	NUM
admet-835	345	9	)	)	PUNCT
admet-835	345	10	7303	7303	NUM
admet-835	345	11	-	-	SYM
admet-835	345	12	7311	7311	NUM
admet-835	345	13	.	.	PUNCT
admet-835	346	1	http://dx.doi.org/10.1021/jp071687d	http://dx.doi.org/10.1021/jp071687d	PROPN
admet-835	346	2	.	.	PUNCT
admet-835	347	1	[	[	X
admet-835	347	2	8	8	NUM
admet-835	347	3	]	]	X
admet-835	347	4	d.s	d.s	PROPN
admet-835	347	5	.	.	PROPN
admet-835	347	6	palmer	palmer	PROPN
admet-835	347	7	,	,	PUNCT
admet-835	347	8	j.l	j.l	PROPN
admet-835	347	9	.	.	PROPN
admet-835	347	10	mcdonagh	mcdonagh	PROPN
admet-835	347	11	,	,	PUNCT
admet-835	347	12	j.b.o	j.b.o	PROPN
admet-835	347	13	.	.	PROPN
admet-835	347	14	mitchell	mitchell	PROPN
admet-835	347	15	,	,	PUNCT
admet-835	347	16	t.	t.	PROPN
admet-835	347	17	van	van	PROPN
admet-835	347	18	mourik	mourik	PROPN
admet-835	347	19	,	,	PUNCT
admet-835	347	20	m.v	m.v	PROPN
admet-835	347	21	.	.	PROPN
admet-835	347	22	fedorov	fedorov	PROPN
admet-835	347	23	.	.	PUNCT
admet-835	348	1	first	first	ADJ
admet-835	348	2	-	-	PUNCT
admet-835	348	3	principles	principle	NOUN
admet-835	348	4	calculation	calculation	NOUN
admet-835	348	5	of	of	ADP
admet-835	348	6	the	the	DET
admet-835	348	7	intrinsic	intrinsic	ADJ
admet-835	348	8	aqueous	aqueous	ADJ
admet-835	348	9	solubility	solubility	NOUN
admet-835	348	10	of	of	ADP
admet-835	348	11	crystalline	crystalline	ADJ
admet-835	348	12	druglike	druglike	NOUN
admet-835	348	13	molecules	molecule	NOUN
admet-835	348	14	.	.	PUNCT
admet-835	349	1	j.	j.	PROPN
admet-835	349	2	chem	chem	PROPN
admet-835	349	3	.	.	PUNCT
admet-835	350	1	theory	theory	NOUN
admet-835	350	2	comput	comput	NOUN
admet-835	350	3	.	.	PUNCT
admet-835	351	1	8	8	NUM
admet-835	351	2	(	(	PUNCT
admet-835	351	3	2012	2012	NUM
admet-835	351	4	)	)	PUNCT
admet-835	351	5	3322	3322	NUM
admet-835	351	6	-	-	SYM
admet-835	351	7	3337	3337	NUM
admet-835	351	8	.	.	PUNCT
admet-835	352	1	http://dx.doi.org/10.1021/ct300345	http://dx.doi.org/10.1021/ct300345	X
admet-835	352	2	m.	m.	NOUN
admet-835	352	3	[	[	X
admet-835	352	4	9	9	NUM
admet-835	352	5	]	]	SYM
admet-835	352	6	h.k	h.k	PROPN
admet-835	352	7	.	.	PROPN
admet-835	352	8	buchholz	buchholz	PROPN
admet-835	352	9	,	,	PUNCT
admet-835	352	10	r.k	r.k	PROPN
admet-835	352	11	.	.	PROPN
admet-835	352	12	hylton	hylton	PROPN
admet-835	352	13	,	,	PUNCT
admet-835	352	14	j.g	j.g	PROPN
admet-835	352	15	.	.	PROPN
admet-835	352	16	brandenburg	brandenburg	PROPN
admet-835	352	17	,	,	PUNCT
admet-835	352	18	a.	a.	PROPN
admet-835	352	19	seidel	seidel	PROPN
admet-835	352	20	-	-	PUNCT
admet-835	352	21	morgenstern	morgenstern	PROPN
admet-835	352	22	,	,	PUNCT
admet-835	352	23	h.	h.	PROPN
admet-835	352	24	lorenz	lorenz	PROPN
admet-835	352	25	,	,	PUNCT
admet-835	352	26	m.	m.	PROPN
admet-835	352	27	stein	stein	PROPN
admet-835	352	28	,	,	PUNCT
admet-835	352	29	s.l	s.l	PROPN
admet-835	352	30	.	.	PROPN
admet-835	352	31	price	price	NOUN
admet-835	352	32	.	.	PUNCT
admet-835	353	1	thermochemistry	thermochemistry	NOUN
admet-835	353	2	of	of	ADP
admet-835	353	3	racemic	racemic	ADJ
admet-835	353	4	and	and	CCONJ
admet-835	353	5	enantiopure	enantiopure	NOUN
admet-835	353	6	organic	organic	ADJ
admet-835	353	7	crystals	crystal	NOUN
admet-835	353	8	for	for	ADP
admet-835	353	9	predicting	predict	VERB
admet-835	353	10	enantiomer	enantiomer	NOUN
admet-835	353	11	separation	separation	NOUN
admet-835	353	12	.	.	PUNCT
admet-835	354	1	crystal	crystal	NOUN
admet-835	354	2	growth	growth	PROPN
admet-835	354	3	&	&	CCONJ
admet-835	354	4	design	design	PROPN
admet-835	354	5	,	,	PUNCT
admet-835	354	6	17	17	NUM
admet-835	354	7	(	(	PUNCT
admet-835	354	8	2017	2017	NUM
admet-835	354	9	)	)	PUNCT
admet-835	354	10	4676	4676	NUM
admet-835	354	11	-	-	SYM
admet-835	354	12	4686	4686	NUM
admet-835	354	13	.	.	PUNCT
admet-835	355	1	http://dx.doi.org/10.1021/acs.cgd.7b00582	http://dx.doi.org/10.1021/acs.cgd.7b00582	NUM
admet-835	355	2	.	.	PUNCT
admet-835	356	1	[	[	X
admet-835	356	2	10	10	NUM
admet-835	356	3	]	]	X
admet-835	356	4	s.	s.	PROPN
admet-835	356	5	mondal	mondal	PROPN
admet-835	356	6	,	,	PUNCT
admet-835	356	7	g.	g.	PROPN
admet-835	356	8	tresadern	tresadern	PROPN
admet-835	356	9	,	,	PUNCT
admet-835	356	10	j.	j.	PROPN
admet-835	356	11	greenwood	greenwood	PROPN
admet-835	356	12	,	,	PUNCT
admet-835	356	13	b.	b.	PROPN
admet-835	356	14	kim	kim	PROPN
admet-835	356	15	,	,	PUNCT
admet-835	356	16	j.	j.	PROPN
admet-835	356	17	kaus	kaus	PROPN
admet-835	356	18	,	,	PUNCT
admet-835	356	19	m.	m.	NOUN
admet-835	356	20	wirtala	wirtala	PROPN
admet-835	356	21	,	,	PUNCT
admet-835	356	22	t.	t.	NOUN
admet-835	356	23	steinbrecher	steinbrecher	NOUN
admet-835	356	24	,	,	PUNCT
admet-835	356	25	l.	l.	PROPN
admet-835	356	26	wang	wang	PROPN
admet-835	356	27	,	,	PUNCT
admet-835	356	28	c.	c.	PROPN
admet-835	356	29	masse	masse	PROPN
admet-835	356	30	,	,	PUNCT
admet-835	356	31	r.	r.	PROPN
admet-835	356	32	farid	farid	PROPN
admet-835	356	33	,	,	PUNCT
admet-835	356	34	r.	r.	PROPN
admet-835	356	35	abel	abel	PROPN
admet-835	356	36	.	.	PUNCT
admet-835	357	1	a	a	DET
admet-835	357	2	free	free	ADJ
admet-835	357	3	energy	energy	NOUN
admet-835	357	4	perturbation	perturbation	NOUN
admet-835	357	5	approach	approach	NOUN
admet-835	357	6	to	to	PART
admet-835	357	7	estimate	estimate	VERB
admet-835	357	8	the	the	DET
admet-835	357	9	intrinsic	intrinsic	ADJ
admet-835	357	10	solubilities	solubility	NOUN
admet-835	357	11	of	of	ADP
admet-835	357	12	drug	drug	NOUN
admet-835	357	13	-	-	PUNCT
admet-835	357	14	like	like	ADJ
admet-835	357	15	small	small	ADJ
admet-835	357	16	molecules	molecule	NOUN
admet-835	357	17	,	,	PUNCT
admet-835	357	18	chemrxiv	chemrxiv	PROPN
admet-835	357	19	.	.	PUNCT
admet-835	358	1	https://doi.org/10.26434/chemrxiv.10263077.v1	https://doi.org/10.26434/chemrxiv.10263077.v1	PROPN
admet-835	358	2	.	.	PUNCT
admet-835	359	1	[	[	X
admet-835	359	2	11	11	NUM
admet-835	359	3	]	]	X
admet-835	359	4	y.	y.	PROPN
admet-835	359	5	abramov	abramov	PROPN
admet-835	359	6	,	,	PUNCT
admet-835	359	7	g.	g.	PROPN
admet-835	359	8	sun	sun	PROPN
admet-835	359	9	,	,	PUNCT
admet-835	359	10	qiao	qiao	PROPN
admet-835	359	11	zeng	zeng	PROPN
admet-835	359	12	,	,	PUNCT
admet-835	359	13	qun	qun	PROPN
admet-835	359	14	zeng	zeng	PROPN
admet-835	359	15	,	,	PUNCT
admet-835	359	16	m	m	PROPN
admet-835	359	17	yang	yang	PROPN
admet-835	359	18	.	.	PUNCT
admet-835	360	1	guiding	guide	VERB
admet-835	360	2	lead	lead	NOUN
admet-835	360	3	optimization	optimization	NOUN
admet-835	360	4	for	for	ADP
admet-835	360	5	solubility	solubility	NOUN
admet-835	360	6	improvement	improvement	NOUN
admet-835	360	7	with	with	ADP
admet-835	360	8	physics	physics	NOUN
admet-835	360	9	-	-	PUNCT
admet-835	360	10	based	base	VERB
admet-835	360	11	modeling	modeling	NOUN
admet-835	360	12	.	.	PUNCT
admet-835	361	1	molecular	molecular	ADJ
admet-835	361	2	pharmaceutics	pharmaceutic	NOUN
admet-835	361	3	,	,	PUNCT
admet-835	361	4	17	17	NUM
admet-835	361	5	(	(	PUNCT
admet-835	361	6	2020	2020	NUM
admet-835	361	7	)	)	PUNCT
admet-835	361	8	666	666	NUM
admet-835	361	9	-	-	SYM
admet-835	361	10	673	673	NUM
admet-835	361	11	.	.	PUNCT
admet-835	362	1	doi	doi	NOUN
admet-835	362	2	:	:	PUNCT
admet-835	362	3	10.1021	10.1021	NUM
admet-835	362	4	/	/	SYM
admet-835	362	5	acs.molpharmaceut.9b01138	acs.molpharmaceut.9b01138	NOUN
admet-835	362	6	.	.	PUNCT
admet-835	363	1	[	[	X
admet-835	363	2	12	12	NUM
admet-835	363	3	]	]	PUNCT
admet-835	363	4	h.	h.	NOUN
admet-835	363	5	fühner	fühner	NOUN
admet-835	363	6	.	.	PUNCT
admet-835	364	1	water	water	NOUN
admet-835	364	2	-	-	PUNCT
admet-835	364	3	solubility	solubility	NOUN
admet-835	364	4	in	in	ADP
admet-835	364	5	homologous	homologous	ADJ
admet-835	364	6	series	series	NOUN
admet-835	364	7	.	.	PUNCT
admet-835	365	1	ber	ber	PROPN
admet-835	365	2	.	.	PUNCT
admet-835	366	1	dtsch	dtsch	PROPN
admet-835	366	2	.	.	PUNCT
admet-835	367	1	chem	chem	NOUN
admet-835	367	2	.	.	PUNCT
admet-835	368	1	ges	ges	PROPN
admet-835	368	2	.	.	PROPN
admet-835	368	3	57b	57b	NOUN
admet-835	368	4	(	(	PUNCT
admet-835	368	5	1924	1924	NUM
admet-835	368	6	)	)	PUNCT
admet-835	368	7	510	510	NUM
admet-835	368	8	-	-	SYM
admet-835	368	9	515	515	NUM
admet-835	368	10	.	.	PUNCT
admet-835	369	1	[	[	X
admet-835	369	2	13	13	NUM
admet-835	369	3	]	]	X
admet-835	369	4	l.	l.	PROPN
admet-835	369	5	erickson	erickson	PROPN
admet-835	369	6	.	.	PUNCT
admet-835	370	1	the	the	DET
admet-835	370	2	solubility	solubility	NOUN
admet-835	370	3	of	of	ADP
admet-835	370	4	homologous	homologous	ADJ
admet-835	370	5	series	series	NOUN
admet-835	370	6	of	of	ADP
admet-835	370	7	organic	organic	ADJ
admet-835	370	8	compounds	compound	NOUN
admet-835	370	9	.	.	PUNCT
admet-835	371	1	naturwiss	naturwiss	ADJ
admet-835	371	2	.	.	PUNCT
admet-835	372	1	39	39	NUM
admet-835	372	2	(	(	PUNCT
admet-835	372	3	1952	1952	NUM
admet-835	372	4	)	)	PUNCT
admet-835	372	5	41	41	NUM
admet-835	372	6	-	-	SYM
admet-835	372	7	42	42	NUM
admet-835	372	8	.	.	PUNCT
admet-835	373	1	[	[	X
admet-835	373	2	14	14	NUM
admet-835	373	3	]	]	X
admet-835	373	4	c.	c.	PROPN
admet-835	373	5	hansch	hansch	PROPN
admet-835	373	6	,	,	PUNCT
admet-835	373	7	j.e	j.e	PROPN
admet-835	373	8	.	.	PROPN
admet-835	373	9	quinlan	quinlan	PROPN
admet-835	373	10	,	,	PUNCT
admet-835	373	11	g.l	g.l	PROPN
admet-835	373	12	.	.	PROPN
admet-835	373	13	lawrence	lawrence	PROPN
admet-835	373	14	.	.	PUNCT
admet-835	373	15	linear	linear	PROPN
admet-835	373	16	free	free	ADJ
admet-835	373	17	-	-	PUNCT
admet-835	373	18	energy	energy	NOUN
admet-835	373	19	relationship	relationship	NOUN
admet-835	373	20	between	between	ADP
admet-835	373	21	partition	partition	NOUN
admet-835	373	22	coefficients	coefficient	NOUN
admet-835	373	23	and	and	CCONJ
admet-835	373	24	the	the	DET
admet-835	373	25	aqueous	aqueous	ADJ
admet-835	373	26	solubility	solubility	NOUN
admet-835	373	27	of	of	ADP
admet-835	373	28	organic	organic	ADJ
admet-835	373	29	liquids	liquid	NOUN
admet-835	373	30	.	.	PUNCT
admet-835	374	1	the	the	DET
admet-835	374	2	journal	journal	NOUN
admet-835	374	3	of	of	ADP
admet-835	374	4	organic	organic	ADJ
admet-835	374	5	chemistry	chemistry	NOUN
admet-835	374	6	33	33	NUM
admet-835	374	7	(	(	PUNCT
admet-835	374	8	1968	1968	NUM
admet-835	374	9	)	)	PUNCT
admet-835	374	10	347	347	NUM
admet-835	374	11	-	-	SYM
admet-835	374	12	350	350	NUM
admet-835	374	13	.	.	PUNCT
admet-835	374	14	http://dx.doi.org/10.1021/jo01265a071	http://dx.doi.org/10.1021/jo01265a071	VERB
admet-835	374	15	.	.	PUNCT
admet-835	375	1	[	[	X
admet-835	375	2	15	15	NUM
admet-835	375	3	]	]	X
admet-835	375	4	m.h	m.h	PROPN
admet-835	375	5	.	.	PROPN
admet-835	375	6	abraham	abraham	PROPN
admet-835	375	7	,	,	PUNCT
admet-835	375	8	j.	j.	PROPN
admet-835	375	9	le	le	PROPN
admet-835	375	10	.	.	PUNCT
admet-835	376	1	the	the	DET
admet-835	376	2	correlation	correlation	NOUN
admet-835	376	3	and	and	CCONJ
admet-835	376	4	prediction	prediction	NOUN
admet-835	376	5	of	of	ADP
admet-835	376	6	the	the	DET
admet-835	376	7	solubility	solubility	NOUN
admet-835	376	8	of	of	ADP
admet-835	376	9	compounds	compound	NOUN
admet-835	376	10	in	in	ADP
admet-835	376	11	water	water	NOUN
admet-835	376	12	using	use	VERB
admet-835	376	13	an	an	DET
admet-835	376	14	amended	amend	VERB
admet-835	376	15	solvation	solvation	NOUN
admet-835	376	16	energy	energy	NOUN
admet-835	376	17	relationship	relationship	NOUN
admet-835	376	18	.	.	PUNCT
admet-835	377	1	journal	journal	PROPN
admet-835	377	2	of	of	ADP
admet-835	377	3	pharmaceutical	pharmaceutical	NOUN
admet-835	377	4	sciences	science	NOUN
admet-835	377	5	88	88	NUM
admet-835	377	6	(	(	PUNCT
admet-835	377	7	1999	1999	NUM
admet-835	377	8	)	)	PUNCT
admet-835	377	9	868	868	NUM
admet-835	377	10	-	-	SYM
admet-835	377	11	880	880	NUM
admet-835	377	12	.	.	PUNCT
admet-835	378	1	http://dx.doi.org/10.1021/js9901007	http://dx.doi.org/10.1021/js9901007	NOUN
admet-835	378	2	.	.	PUNCT
admet-835	379	1	[	[	X
admet-835	379	2	16	16	NUM
admet-835	379	3	]	]	X
admet-835	379	4	s.	s.	PROPN
admet-835	379	5	gracin	gracin	PROPN
admet-835	379	6	,	,	PUNCT
admet-835	379	7	t.	t.	PROPN
admet-835	379	8	brinck	brinck	NOUN
admet-835	379	9	,	,	PUNCT
admet-835	379	10	a.c	a.c	PROPN
admet-835	379	11	.	.	PROPN
admet-835	379	12	rasmuson	rasmuson	PROPN
admet-835	379	13	.	.	PUNCT
admet-835	380	1	prediction	prediction	NOUN
admet-835	380	2	of	of	ADP
admet-835	380	3	solubility	solubility	NOUN
admet-835	380	4	of	of	ADP
admet-835	380	5	solid	solid	ADJ
admet-835	380	6	organic	organic	ADJ
admet-835	380	7	compounds	compound	NOUN
admet-835	380	8	in	in	ADP
admet-835	380	9	solvents	solvent	NOUN
admet-835	380	10	by	by	ADP
admet-835	380	11	unifac	unifac	NOUN
admet-835	380	12	.	.	PUNCT
admet-835	381	1	industrial	industrial	PROPN
admet-835	381	2	&	&	CCONJ
admet-835	381	3	engineering	engineering	PROPN
admet-835	381	4	chemistry	chemistry	NOUN
admet-835	381	5	research	research	NOUN
admet-835	381	6	41	41	NUM
admet-835	381	7	(	(	PUNCT
admet-835	381	8	2002	2002	NUM
admet-835	381	9	)	)	PUNCT
admet-835	381	10	5114	5114	NUM
admet-835	381	11	-	-	SYM
admet-835	381	12	5124	5124	NUM
admet-835	381	13	.	.	PUNCT
admet-835	382	1	http://dx.doi.org/10.1021/ie011014w	http://dx.doi.org/10.1021/ie011014w	PROPN
admet-835	382	2	.	.	PUNCT
admet-835	383	1	[	[	X
admet-835	383	2	17	17	NUM
admet-835	383	3	]	]	PUNCT
admet-835	383	4	m.	m.	NOUN
admet-835	383	5	hewitt	hewitt	PROPN
admet-835	383	6	,	,	PUNCT
admet-835	383	7	m.t.d	m.t.d	PROPN
admet-835	383	8	.	.	PUNCT
admet-835	383	9	cronin	cronin	PROPN
admet-835	383	10	,	,	PUNCT
admet-835	383	11	s.j	s.j	PROPN
admet-835	383	12	.	.	PROPN
admet-835	383	13	enoch	enoch	PROPN
admet-835	383	14	,	,	PUNCT
admet-835	383	15	j.c	j.c	PROPN
admet-835	383	16	.	.	PROPN
admet-835	383	17	madden	madden	PROPN
admet-835	383	18	,	,	PUNCT
admet-835	383	19	d.w	d.w	PROPN
admet-835	383	20	.	.	PROPN
admet-835	383	21	roberts	roberts	PROPN
admet-835	383	22	,	,	PUNCT
admet-835	383	23	j.c	j.c	PROPN
admet-835	383	24	.	.	PROPN
admet-835	383	25	dearden	dearden	PROPN
admet-835	383	26	.	.	PUNCT
admet-835	384	1	in	in	ADP
admet-835	384	2	silico	silico	NOUN
admet-835	384	3	prediction	prediction	NOUN
admet-835	384	4	of	of	ADP
admet-835	384	5	aqueous	aqueous	ADJ
admet-835	384	6	solubility	solubility	NOUN
admet-835	384	7	:	:	PUNCT
admet-835	384	8	the	the	DET
admet-835	384	9	solubility	solubility	NOUN
admet-835	384	10	challenge	challenge	NOUN
admet-835	384	11	.	.	PUNCT
admet-835	385	1	j.	j.	PROPN
admet-835	385	2	chem	chem	PROPN
admet-835	385	3	.	.	PUNCT
admet-835	386	1	inf	inf	PROPN
admet-835	386	2	.	.	PROPN
admet-835	386	3	model	model	PROPN
admet-835	386	4	.	.	PUNCT
admet-835	387	1	49	49	NUM
admet-835	387	2	(	(	PUNCT
admet-835	387	3	2009	2009	NUM
admet-835	387	4	)	)	PUNCT
admet-835	387	5	2572	2572	NUM
admet-835	387	6	-	-	SYM
admet-835	387	7	2587	2587	NUM
admet-835	387	8	.	.	PUNCT
admet-835	388	1	https://dx.doi.org/10.1021/ci900286s	https://dx.doi.org/10.1021/ci900286s	NOUN
admet-835	388	2	.	.	PUNCT
admet-835	389	1	[	[	X
admet-835	389	2	18	18	NUM
admet-835	389	3	]	]	X
admet-835	389	4	s.	s.	PROPN
admet-835	389	5	erić	erić	PROPN
admet-835	389	6	,	,	PUNCT
admet-835	389	7	m.	m.	PROPN
admet-835	389	8	kalinić	kalinić	PROPN
admet-835	389	9	,	,	PUNCT
admet-835	389	10	a.	a.	NOUN
admet-835	389	11	popović	popović	NOUN
admet-835	389	12	,	,	PUNCT
admet-835	389	13	m.	m.	NOUN
admet-835	389	14	zloh	zloh	PROPN
admet-835	389	15	,	,	PUNCT
admet-835	389	16	i.	i.	PROPN
admet-835	389	17	kuzmanovski	kuzmanovski	PROPN
admet-835	389	18	.	.	PUNCT
admet-835	390	1	prediction	prediction	NOUN
admet-835	390	2	of	of	ADP
admet-835	390	3	aqueous	aqueous	ADJ
admet-835	390	4	solubility	solubility	NOUN
admet-835	390	5	of	of	ADP
admet-835	390	6	drug	drug	NOUN
admet-835	390	7	-	-	PUNCT
admet-835	390	8	like	like	ADJ
admet-835	390	9	molecules	molecule	NOUN
admet-835	390	10	using	use	VERB
admet-835	390	11	a	a	DET
admet-835	390	12	novel	novel	ADJ
admet-835	390	13	algorithm	algorithm	NOUN
admet-835	390	14	for	for	ADP
admet-835	390	15	automatic	automatic	ADJ
admet-835	390	16	adjustment	adjustment	NOUN
admet-835	390	17	of	of	ADP
admet-835	390	18	relative	relative	ADJ
admet-835	390	19	importance	importance	NOUN
admet-835	390	20	of	of	ADP
admet-835	390	21	descriptors	descriptor	NOUN
admet-835	390	22	implemented	implement	VERB
admet-835	390	23	in	in	ADP
admet-835	390	24	counter	counter	ADJ
admet-835	390	25	-	-	ADJ
admet-835	390	26	propagation	propagation	NOUN
admet-835	390	27	artificial	artificial	ADJ
admet-835	390	28	neural	neural	ADJ
admet-835	390	29	networks	network	NOUN
admet-835	390	30	.	.	PUNCT
admet-835	391	1	international	international	ADJ
admet-835	391	2	journal	journal	PROPN
admet-835	391	3	of	of	ADP
admet-835	391	4	pharmaceutics	pharmaceutic	NOUN
admet-835	391	5	437	437	NUM
admet-835	391	6	(	(	PUNCT
admet-835	391	7	2012	2012	NUM
admet-835	391	8	)	)	PUNCT
admet-835	391	9	232	232	NUM
admet-835	391	10	-	-	SYM
admet-835	391	11	241	241	NUM
admet-835	391	12	.	.	PUNCT
admet-835	392	1	http://dx.doi.org/10.1016/j.ijpharm.2012.08.022	http://dx.doi.org/10.1016/j.ijpharm.2012.08.022	NOUN
admet-835	392	2	.	.	PUNCT
admet-835	393	1	[	[	X
admet-835	393	2	19	19	NUM
admet-835	393	3	]	]	X
admet-835	393	4	p.	p.	PROPN
admet-835	393	5	lind	lind	PROPN
admet-835	393	6	,	,	PUNCT
admet-835	393	7	t.	t.	PROPN
admet-835	393	8	maltseva	maltseva	PROPN
admet-835	393	9	.	.	PUNCT
admet-835	394	1	support	support	NOUN
admet-835	394	2	vector	vector	NOUN
admet-835	394	3	machines	machine	NOUN
admet-835	394	4	for	for	ADP
admet-835	394	5	the	the	DET
admet-835	394	6	estimation	estimation	NOUN
admet-835	394	7	of	of	ADP
admet-835	394	8	aqueous	aqueous	ADJ
admet-835	394	9	solubility	solubility	NOUN
admet-835	394	10	.	.	PUNCT
admet-835	395	1	j.	j.	PROPN
admet-835	395	2	chem	chem	PROPN
admet-835	395	3	.	.	PUNCT
admet-835	396	1	inf	inf	PROPN
admet-835	396	2	.	.	PUNCT
admet-835	396	3	comput	comput	PROPN
admet-835	396	4	.	.	PUNCT
admet-835	397	1	sci	sci	PROPN
admet-835	397	2	.	.	PROPN
admet-835	398	1	43	43	NUM
admet-835	398	2	(	(	PUNCT
admet-835	398	3	2003	2003	NUM
admet-835	398	4	)	)	PUNCT
admet-835	398	5	1855	1855	NUM
admet-835	398	6	-	-	SYM
admet-835	398	7	1859	1859	NUM
admet-835	398	8	.	.	PUNCT
admet-835	399	1	http://dx.doi.org/10.1021/ci034107s	http://dx.doi.org/10.1021/ci034107s	PROPN
admet-835	399	2	.	.	PUNCT
admet-835	400	1	[	[	X
admet-835	400	2	20	20	NUM
admet-835	400	3	]	]	PUNCT
admet-835	400	4	f.	f.	PROPN
admet-835	400	5	nigsch	nigsch	PROPN
admet-835	400	6	,	,	PUNCT
admet-835	400	7	a.	a.	NOUN
admet-835	400	8	bender	bender	PROPN
admet-835	400	9	,	,	PUNCT
admet-835	400	10	b	b	PROPN
admet-835	400	11	van	van	PROPN
admet-835	400	12	buuren	buuren	PROPN
admet-835	400	13	,	,	PUNCT
admet-835	400	14	j.	j.	PROPN
admet-835	400	15	tissen	tissen	PROPN
admet-835	400	16	,	,	PUNCT
admet-835	400	17	e.	e.	PROPN
admet-835	400	18	nigsch	nigsch	PROPN
admet-835	400	19	,	,	PUNCT
admet-835	400	20	j.b.o	j.b.o	PROPN
admet-835	400	21	.	.	PROPN
admet-835	400	22	mitchell	mitchell	PROPN
admet-835	400	23	.	.	PUNCT
admet-835	401	1	melting	melting	NOUN
admet-835	401	2	point	point	NOUN
admet-835	401	3	prediction	prediction	NOUN
admet-835	401	4	employing	employ	VERB
admet-835	401	5	k	k	NOUN
admet-835	401	6	-	-	PUNCT
admet-835	401	7	nearest	near	ADJ
admet-835	401	8	neighbor	neighbor	NOUN
admet-835	401	9	algorithms	algorithm	NOUN
admet-835	401	10	and	and	CCONJ
admet-835	401	11	genetic	genetic	ADJ
admet-835	401	12	parameter	parameter	NOUN
admet-835	401	13	optimization	optimization	NOUN
admet-835	401	14	.	.	PUNCT
admet-835	402	1	j.	j.	PROPN
admet-835	402	2	chem	chem	PROPN
admet-835	402	3	.	.	PUNCT
admet-835	403	1	inf	inf	PROPN
admet-835	403	2	.	.	PROPN
admet-835	403	3	model	model	PROPN
admet-835	403	4	.	.	PUNCT
admet-835	404	1	46	46	NUM
admet-835	404	2	(	(	PUNCT
admet-835	404	3	2006	2006	NUM
admet-835	404	4	)	)	PUNCT
admet-835	404	5	2412	2412	NUM
admet-835	404	6	-	-	SYM
admet-835	404	7	2422	2422	NUM
admet-835	404	8	.	.	PUNCT
admet-835	405	1	https://dx.doi.org/10.1021/ci060149f	https://dx.doi.org/10.1021/ci060149f	PROPN
admet-835	405	2	.	.	PUNCT
admet-835	406	1	[	[	X
admet-835	406	2	21	21	NUM
admet-835	406	3	]	]	X
admet-835	406	4	n.a	n.a	PROPN
admet-835	406	5	.	.	PROPN
admet-835	406	6	kovdienko	kovdienko	PROPN
admet-835	406	7	,	,	PUNCT
admet-835	406	8	p.g	p.g	PROPN
admet-835	406	9	.	.	PROPN
admet-835	406	10	polishchuk	polishchuk	PROPN
admet-835	406	11	,	,	PUNCT
admet-835	406	12	e.n	e.n	PROPN
admet-835	406	13	.	.	PROPN
admet-835	406	14	muratov	muratov	PROPN
admet-835	406	15	,	,	PUNCT
admet-835	406	16	a.g	a.g	PROPN
admet-835	406	17	.	.	PROPN
admet-835	406	18	artemenko	artemenko	PROPN
admet-835	406	19	,	,	PUNCT
admet-835	406	20	v.e	v.e	PROPN
admet-835	406	21	.	.	PROPN
admet-835	406	22	kuz'min	kuz'min	PROPN
admet-835	406	23	,	,	PUNCT
admet-835	406	24	l.	l.	PROPN
admet-835	406	25	gorb	gorb	PROPN
admet-835	406	26	,	,	PUNCT
admet-835	406	27	f.	f.	PROPN
admet-835	406	28	hill	hill	PROPN
admet-835	406	29	,	,	PUNCT
admet-835	406	30	j.	j.	PROPN
admet-835	406	31	leszczynski	leszczynski	PROPN
admet-835	406	32	.	.	PUNCT
admet-835	407	1	application	application	NOUN
admet-835	407	2	of	of	ADP
admet-835	407	3	random	random	ADJ
admet-835	407	4	forest	forest	NOUN
admet-835	407	5	and	and	CCONJ
admet-835	407	6	multiple	multiple	ADJ
admet-835	407	7	linear	linear	ADJ
admet-835	407	8	regression	regression	NOUN
admet-835	407	9	techniques	technique	NOUN
admet-835	407	10	to	to	PART
admet-835	407	11	qspr	qspr	ADJ
admet-835	407	12	prediction	prediction	NOUN
admet-835	407	13	of	of	ADP
admet-835	407	14	an	an	DET
admet-835	407	15	aqueous	aqueous	ADJ
admet-835	407	16	solubility	solubility	NOUN
admet-835	407	17	for	for	ADP
admet-835	407	18	military	military	ADJ
admet-835	407	19	compounds	compound	NOUN
admet-835	407	20	.	.	PUNCT
admet-835	408	1	molecular	molecular	ADJ
admet-835	408	2	informatics	informatic	NOUN
admet-835	408	3	29	29	NUM
admet-835	408	4	(	(	PUNCT
admet-835	408	5	2010	2010	NUM
admet-835	408	6	)	)	PUNCT
admet-835	408	7	394406	394406	NUM
admet-835	408	8	.	.	PUNCT
admet-835	409	1	http://dx.doi.org/10.1002/minf.201000001	http://dx.doi.org/10.1002/minf.201000001	X
admet-835	409	2	.	.	PUNCT
admet-835	409	3	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	PROPN
admet-835	409	4	http://dx.doi.org/%1f10.1063/1.4983754	http://dx.doi.org/%1f10.1063/1.4983754	PROPN
admet-835	409	5	http://dx.doi.org/%1f10.1063/1.4983754	http://dx.doi.org/%1f10.1063/1.4983754	PROPN
admet-835	409	6	http://dx.doi.org/%2010.1039/c8cp01786	http://dx.doi.org/%2010.1039/c8cp01786	NUM
admet-835	409	7	g	g	NOUN
admet-835	409	8	http://dx.doi.org/%2010.1039/c8cp01786	http://dx.doi.org/%2010.1039/c8cp01786	NUM
admet-835	409	9	g	g	NOUN
admet-835	409	10	http://dx.doi.org/10.1021/jp071687d	http://dx.doi.org/10.1021/jp071687d	PROPN
admet-835	409	11	http://dx.doi.org/10.1021/ct300345	http://dx.doi.org/10.1021/ct300345	PROPN
admet-835	409	12	m	m	VERB
admet-835	409	13	http://dx.doi.org/10.1021/%1facs.cgd.7b00582	http://dx.doi.org/10.1021/%1facs.cgd.7b00582	NOUN
admet-835	409	14	https://doi.org/10.26434/chemrxiv%1f.10263077.v1	https://doi.org/10.26434/chemrxiv%1f.10263077.v1	PROPN
admet-835	409	15	https://doi.org/10.1021/acs.molpharmaceut.9b01138	https://doi.org/10.1021/acs.molpharmaceut.9b01138	PROPN
admet-835	409	16	https://doi.org/10.1021/acs.molpharmaceut.9b01138	https://doi.org/10.1021/acs.molpharmaceut.9b01138	PROPN
admet-835	409	17	http://dx.doi.org/10.1021/jo01265a071	http://dx.doi.org/10.1021/jo01265a071	ADJ
admet-835	409	18	http://dx.doi.org/10.1021/js9901007	http://dx.doi.org/10.1021/js9901007	PROPN
admet-835	409	19	http://dx.doi.org/%1f10.1021/ie011014w	http://dx.doi.org/%1f10.1021/ie011014w	PROPN
admet-835	409	20	http://dx.doi.org/%1f10.1021/ie011014w	http://dx.doi.org/%1f10.1021/ie011014w	PROPN
admet-835	409	21	https://dx.doi.org/10.1021/ci900286s	https://dx.doi.org/10.1021/ci900286s	PROPN
admet-835	409	22	http://dx.doi.org/10.1016/j.ijpharm.2012.08.%1f022	http://dx.doi.org/10.1016/j.ijpharm.2012.08.%1f022	NOUN
admet-835	410	1	http://dx.doi.org/10.1021/ci034107s	http://dx.doi.org/10.1021/ci034107s	PROPN
admet-835	410	2	https://dx.doi.org/10.1021/ci060149f	https://dx.doi.org/10.1021/ci060149f	PROPN
admet-835	410	3	http://dx.doi.org/10.1002/minf.201000001	http://dx.doi.org/10.1002/minf.201000001	PROPN
admet-835	410	4	john	john	PROPN
admet-835	410	5	b.	b.	PROPN
admet-835	410	6	o.	o.	PROPN
admet-835	410	7	mitchell	mitchell	PROPN
admet-835	410	8	admet	admet	PROPN
admet-835	410	9	&	&	CCONJ
admet-835	410	10	dmpk	dmpk	PROPN
admet-835	410	11	8(3	8(3	NUM
admet-835	410	12	)	)	PUNCT
admet-835	410	13	(	(	PUNCT
admet-835	410	14	2020	2020	NUM
admet-835	410	15	)	)	PUNCT
admet-835	410	16	215	215	NUM
admet-835	410	17	-	-	SYM
admet-835	410	18	250	250	NUM
admet-835	410	19	230	230	NUM
admet-835	410	20	[	[	SYM
admet-835	410	21	22	22	NUM
admet-835	410	22	]	]	PUNCT
admet-835	410	23	a.	a.	NOUN
admet-835	410	24	lusci	lusci	PROPN
admet-835	410	25	,	,	PUNCT
admet-835	410	26	g.	g.	PROPN
admet-835	410	27	pollastri	pollastri	PROPN
admet-835	410	28	,	,	PUNCT
admet-835	410	29	p.	p.	PROPN
admet-835	410	30	baldi	baldi	PROPN
admet-835	410	31	.	.	PUNCT
admet-835	411	1	deep	deep	ADJ
admet-835	411	2	architectures	architecture	NOUN
admet-835	411	3	and	and	CCONJ
admet-835	411	4	deep	deep	ADJ
admet-835	411	5	learning	learning	NOUN
admet-835	411	6	in	in	ADP
admet-835	411	7	chemoinformatics	chemoinformatic	NOUN
admet-835	411	8	:	:	PUNCT
admet-835	411	9	the	the	DET
admet-835	411	10	prediction	prediction	NOUN
admet-835	411	11	of	of	ADP
admet-835	411	12	aqueous	aqueous	ADJ
admet-835	411	13	solubility	solubility	NOUN
admet-835	411	14	for	for	ADP
admet-835	411	15	drug	drug	NOUN
admet-835	411	16	-	-	PUNCT
admet-835	411	17	like	like	ADJ
admet-835	411	18	molecules	molecule	NOUN
admet-835	411	19	.	.	PUNCT
admet-835	412	1	j.	j.	PROPN
admet-835	412	2	chem	chem	PROPN
admet-835	412	3	.	.	PUNCT
admet-835	413	1	inf	inf	PROPN
admet-835	413	2	.	.	PROPN
admet-835	413	3	model	model	PROPN
admet-835	413	4	.	.	PUNCT
admet-835	414	1	53	53	NUM
admet-835	414	2	(	(	PUNCT
admet-835	414	3	2013	2013	NUM
admet-835	414	4	)	)	PUNCT
admet-835	414	5	1563	1563	NUM
admet-835	414	6	-	-	SYM
admet-835	414	7	1575	1575	NUM
admet-835	414	8	.	.	PUNCT
admet-835	415	1	http://dx.doi.org/10.1021/ci400187y	http://dx.doi.org/10.1021/ci400187y	PROPN
admet-835	415	2	.	.	PUNCT
admet-835	416	1	[	[	X
admet-835	416	2	23	23	NUM
admet-835	416	3	]	]	PUNCT
admet-835	416	4	a.	a.	NOUN
admet-835	416	5	llinàs	llinàs	PROPN
admet-835	416	6	,	,	PUNCT
admet-835	416	7	r.c	r.c	PROPN
admet-835	416	8	.	.	PROPN
admet-835	416	9	glen	glen	PROPN
admet-835	416	10	,	,	PUNCT
admet-835	416	11	j.m	j.m	PROPN
admet-835	416	12	.	.	PROPN
admet-835	416	13	goodman	goodman	PROPN
admet-835	416	14	.	.	PUNCT
admet-835	417	1	solubility	solubility	NOUN
admet-835	417	2	challenge	challenge	NOUN
admet-835	417	3	:	:	PUNCT
admet-835	417	4	can	can	AUX
admet-835	417	5	you	you	PRON
admet-835	417	6	predict	predict	VERB
admet-835	417	7	solubilities	solubility	NOUN
admet-835	417	8	of	of	ADP
admet-835	417	9	32	32	NUM
admet-835	417	10	molecules	molecule	NOUN
admet-835	417	11	using	use	VERB
admet-835	417	12	a	a	DET
admet-835	417	13	database	database	NOUN
admet-835	417	14	of	of	ADP
admet-835	417	15	100	100	NUM
admet-835	417	16	reliable	reliable	ADJ
admet-835	417	17	measurements	measurement	NOUN
admet-835	417	18	?	?	PUNCT
admet-835	417	19	.	.	PUNCT
admet-835	418	1	j.	j.	PROPN
admet-835	418	2	chem	chem	PROPN
admet-835	418	3	.	.	PUNCT
admet-835	419	1	inf	inf	PROPN
admet-835	419	2	.	.	PROPN
admet-835	419	3	model	model	PROPN
admet-835	419	4	.	.	PUNCT
admet-835	420	1	48	48	NUM
admet-835	420	2	(	(	PUNCT
admet-835	420	3	2008	2008	NUM
admet-835	420	4	)	)	PUNCT
admet-835	420	5	1289	1289	NUM
admet-835	420	6	-	-	SYM
admet-835	420	7	1303	1303	NUM
admet-835	420	8	.	.	PUNCT
admet-835	421	1	http://dx.doi.org/10.1021/ci800058v	http://dx.doi.org/10.1021/ci800058v	PROPN
admet-835	421	2	.	.	PUNCT
admet-835	422	1	[	[	X
admet-835	422	2	24	24	NUM
admet-835	422	3	]	]	PUNCT
admet-835	422	4	k.	k.	PROPN
admet-835	422	5	box	box	PROPN
admet-835	422	6	,	,	PUNCT
admet-835	422	7	j.	j.	PROPN
admet-835	422	8	e.	e.	PROPN
admet-835	422	9	comer	comer	PROPN
admet-835	422	10	,	,	PUNCT
admet-835	422	11	t.	t.	NOUN
admet-835	422	12	gravestock	gravestock	NOUN
admet-835	422	13	,	,	PUNCT
admet-835	422	14	m.	m.	PROPN
admet-835	422	15	stuart	stuart	PROPN
admet-835	422	16	.	.	PUNCT
admet-835	423	1	new	new	ADJ
admet-835	423	2	ideas	idea	NOUN
admet-835	423	3	about	about	ADP
admet-835	423	4	the	the	DET
admet-835	423	5	solubility	solubility	NOUN
admet-835	423	6	of	of	ADP
admet-835	423	7	drugs	drug	NOUN
admet-835	423	8	.	.	PUNCT
admet-835	424	1	chemistry	chemistry	NOUN
admet-835	424	2	&	&	CCONJ
admet-835	424	3	biodiversity	biodiversity	PROPN
admet-835	424	4	6	6	NUM
admet-835	424	5	(	(	PUNCT
admet-835	424	6	2009	2009	NUM
admet-835	424	7	)	)	PUNCT
admet-835	424	8	1767	1767	NUM
admet-835	424	9	-	-	SYM
admet-835	424	10	1788	1788	NUM
admet-835	424	11	.	.	PUNCT
admet-835	424	12	http://dx.doi.org/10.1002/cbdv.200900164	http://dx.doi.org/10.1002/cbdv.200900164	NOUN
admet-835	424	13	.	.	PUNCT
admet-835	425	1	[	[	X
admet-835	425	2	25	25	NUM
admet-835	425	3	]	]	X
admet-835	425	4	a.j	a.j	PROPN
admet-835	425	5	.	.	PROPN
admet-835	425	6	hopfinger	hopfinger	PROPN
admet-835	425	7	,	,	PUNCT
admet-835	425	8	e.x	e.x	PROPN
admet-835	425	9	.	.	PROPN
admet-835	425	10	esposito	esposito	PROPN
admet-835	425	11	,	,	PUNCT
admet-835	425	12	a.	a.	PROPN
admet-835	425	13	llinàs	llinàs	PROPN
admet-835	425	14	,	,	PUNCT
admet-835	425	15	r.c	r.c	PROPN
admet-835	425	16	.	.	PROPN
admet-835	425	17	glen	glen	PROPN
admet-835	425	18	,	,	PUNCT
admet-835	425	19	j.m	j.m	PROPN
admet-835	425	20	.	.	PROPN
admet-835	425	21	goodman	goodman	PROPN
admet-835	425	22	.	.	PUNCT
admet-835	426	1	findings	finding	NOUN
admet-835	426	2	of	of	ADP
admet-835	426	3	the	the	DET
admet-835	426	4	challenge	challenge	NOUN
admet-835	426	5	to	to	PART
admet-835	426	6	predict	predict	VERB
admet-835	426	7	aqueous	aqueous	ADJ
admet-835	426	8	solubility	solubility	NOUN
admet-835	426	9	.	.	PUNCT
admet-835	427	1	journal	journal	PROPN
admet-835	427	2	of	of	ADP
admet-835	427	3	chemical	chemical	ADJ
admet-835	427	4	information	information	NOUN
admet-835	427	5	and	and	CCONJ
admet-835	427	6	modeling	model	VERB
admet-835	427	7	49	49	NUM
admet-835	427	8	(	(	PUNCT
admet-835	427	9	2009	2009	NUM
admet-835	427	10	)	)	PUNCT
admet-835	427	11	1	1	NUM
admet-835	427	12	-	-	SYM
admet-835	427	13	5	5	NUM
admet-835	427	14	.	.	PUNCT
admet-835	428	1	https://dx.doi.org/10.1021/ci800436c	https://dx.doi.org/10.1021/ci800436c	PROPN
admet-835	428	2	.	.	PUNCT
admet-835	429	1	[	[	X
admet-835	429	2	26	26	NUM
admet-835	429	3	]	]	PUNCT
admet-835	429	4	a.	a.	NOUN
admet-835	429	5	llinàs	llinàs	PROPN
admet-835	429	6	,	,	PUNCT
admet-835	429	7	a.	a.	NOUN
admet-835	429	8	avdeef	avdeef	PROPN
admet-835	429	9	,	,	PUNCT
admet-835	429	10	solubility	solubility	NOUN
admet-835	429	11	challenge	challenge	NOUN
admet-835	429	12	revisited	revisit	VERB
admet-835	429	13	after	after	ADP
admet-835	429	14	ten	ten	NUM
admet-835	429	15	years	year	NOUN
admet-835	429	16	,	,	PUNCT
admet-835	429	17	with	with	ADP
admet-835	429	18	multilab	multilab	ADJ
admet-835	429	19	shake	shake	NOUN
admet-835	429	20	-	-	PUNCT
admet-835	429	21	flask	flask	NOUN
admet-835	429	22	data	datum	NOUN
admet-835	429	23	,	,	PUNCT
admet-835	429	24	using	use	VERB
admet-835	429	25	tight	tight	ADJ
admet-835	429	26	(	(	PUNCT
admet-835	429	27	sd	sd	ADP
admet-835	429	28	∼	∼	NOUN
admet-835	429	29	0.17	0.17	NUM
admet-835	429	30	log	log	NOUN
admet-835	429	31	)	)	PUNCT
admet-835	429	32	and	and	CCONJ
admet-835	429	33	loose	loose	ADJ
admet-835	429	34	(	(	PUNCT
admet-835	429	35	sd	sd	ADP
admet-835	429	36	∼	∼	NOUN
admet-835	429	37	0.62	0.62	NUM
admet-835	429	38	log	log	NOUN
admet-835	429	39	)	)	PUNCT
admet-835	429	40	test	test	NOUN
admet-835	429	41	sets	set	NOUN
admet-835	429	42	.	.	PUNCT
admet-835	430	1	j.	j.	PROPN
admet-835	430	2	chem	chem	PROPN
admet-835	430	3	.	.	PUNCT
admet-835	431	1	inf	inf	PROPN
admet-835	431	2	.	.	PROPN
admet-835	431	3	model	model	PROPN
admet-835	431	4	.	.	PUNCT
admet-835	432	1	59	59	NUM
admet-835	432	2	(	(	PUNCT
admet-835	432	3	2019	2019	NUM
admet-835	432	4	)	)	PUNCT
admet-835	432	5	30363040	30363040	NUM
admet-835	432	6	.	.	PUNCT
admet-835	433	1	doi	doi	NOUN
admet-835	433	2	:	:	PUNCT
admet-835	433	3	10.1021	10.1021	NUM
admet-835	433	4	/	/	SYM
admet-835	433	5	acs.jcim.9b00345	acs.jcim.9b00345	NOUN
admet-835	433	6	.	.	PUNCT
admet-835	434	1	[	[	X
admet-835	434	2	27	27	NUM
admet-835	434	3	]	]	X
admet-835	434	4	j.l	j.l	PROPN
admet-835	434	5	.	.	PROPN
admet-835	434	6	mcdonagh	mcdonagh	PROPN
admet-835	434	7	,	,	PUNCT
admet-835	434	8	n.	n.	PROPN
admet-835	434	9	nath	nath	PROPN
admet-835	434	10	,	,	PUNCT
admet-835	434	11	l.	l.	PROPN
admet-835	434	12	de	de	PROPN
admet-835	434	13	ferrari	ferrari	PROPN
admet-835	434	14	,	,	PUNCT
admet-835	434	15	t.	t.	PROPN
admet-835	434	16	van	van	PROPN
admet-835	434	17	mourik	mourik	PROPN
admet-835	434	18	,	,	PUNCT
admet-835	434	19	j.b.o	j.b.o	PROPN
admet-835	434	20	.	.	PROPN
admet-835	434	21	mitchell	mitchell	PROPN
admet-835	434	22	.	.	PUNCT
admet-835	435	1	uniting	unite	VERB
admet-835	435	2	cheminformatics	cheminformatic	NOUN
admet-835	435	3	and	and	CCONJ
admet-835	435	4	chemical	chemical	PROPN
admet-835	435	5	theory	theory	NOUN
admet-835	435	6	to	to	PART
admet-835	435	7	predict	predict	VERB
admet-835	435	8	the	the	DET
admet-835	435	9	intrinsic	intrinsic	ADJ
admet-835	435	10	aqueous	aqueous	ADJ
admet-835	435	11	solubility	solubility	NOUN
admet-835	435	12	of	of	ADP
admet-835	435	13	crystalline	crystalline	ADJ
admet-835	435	14	druglike	druglike	NOUN
admet-835	435	15	molecules	molecule	NOUN
admet-835	435	16	j.	j.	PROPN
admet-835	435	17	chem	chem	PROPN
admet-835	435	18	.	.	PUNCT
admet-835	436	1	inf	inf	PROPN
admet-835	436	2	.	.	PROPN
admet-835	436	3	model	model	PROPN
admet-835	436	4	.	.	PUNCT
admet-835	437	1	55	55	NUM
admet-835	437	2	(	(	PUNCT
admet-835	437	3	2014	2014	NUM
admet-835	437	4	)	)	PUNCT
admet-835	437	5	844	844	NUM
admet-835	437	6	-	-	SYM
admet-835	437	7	856	856	NUM
admet-835	437	8	.	.	PUNCT
admet-835	438	1	http://dx.doi.org/10.1021/ci4005805	http://dx.doi.org/10.1021/ci4005805	INTJ
admet-835	438	2	.	.	PUNCT
admet-835	439	1	[	[	X
admet-835	439	2	28	28	NUM
admet-835	439	3	]	]	X
admet-835	439	4	s.	s.	PROPN
admet-835	439	5	boobier	boobier	PROPN
admet-835	439	6	,	,	PUNCT
admet-835	439	7	a.	a.	NOUN
admet-835	439	8	osbourn	osbourn	PROPN
admet-835	439	9	,	,	PUNCT
admet-835	439	10	j.b.o	j.b.o	PROPN
admet-835	439	11	.	.	PROPN
admet-835	439	12	mitchell	mitchell	PROPN
admet-835	439	13	.	.	PUNCT
admet-835	440	1	can	can	AUX
admet-835	440	2	human	human	NOUN
admet-835	440	3	experts	expert	NOUN
admet-835	440	4	predict	predict	VERB
admet-835	440	5	solubility	solubility	NOUN
admet-835	440	6	better	well	ADV
admet-835	440	7	than	than	ADP
admet-835	440	8	computers	computer	NOUN
admet-835	440	9	?	?	PUNCT
admet-835	440	10	.	.	PUNCT
admet-835	441	1	journal	journal	PROPN
admet-835	441	2	of	of	ADP
admet-835	441	3	cheminformatics	cheminformatic	NOUN
admet-835	441	4	,	,	PUNCT
admet-835	441	5	9	9	NUM
admet-835	441	6	(	(	PUNCT
admet-835	441	7	2017	2017	NUM
admet-835	441	8	)	)	PUNCT
admet-835	441	9	63	63	NUM
admet-835	441	10	.	.	PUNCT
admet-835	442	1	http://dx.doi.org/10.1186/s13321-017-0250-y	http://dx.doi.org/10.1186/s13321-017-0250-y	X
admet-835	442	2	.	.	PUNCT
admet-835	443	1	[	[	X
admet-835	443	2	29	29	NUM
admet-835	443	3	]	]	X
admet-835	443	4	j.b.o	j.b.o	PROPN
admet-835	443	5	.	.	PROPN
admet-835	443	6	mitchell	mitchell	PROPN
admet-835	443	7	,	,	PUNCT
admet-835	443	8	j.l	j.l	PROPN
admet-835	443	9	.	.	PROPN
admet-835	443	10	mcdonagh	mcdonagh	PROPN
admet-835	443	11	,	,	PUNCT
admet-835	443	12	s.	s.	PROPN
admet-835	443	13	boobier	boobier	PROPN
admet-835	443	14	.	.	PUNCT
admet-835	444	1	dls-100	dls-100	PROPN
admet-835	444	2	solubility	solubility	NOUN
admet-835	444	3	dataset	dataset	NOUN
admet-835	444	4	,	,	PUNCT
admet-835	444	5	university	university	PROPN
admet-835	444	6	of	of	ADP
admet-835	444	7	st	st	PROPN
admet-835	444	8	andrews	andrews	PROPN
admet-835	444	9	2017	2017	NUM
admet-835	444	10	.	.	PUNCT
admet-835	445	1	http://dx.doi.org/10.17630/3a3a5abc-8458-4924-8e6c-b804347605e8	http://dx.doi.org/10.17630/3a3a5abc-8458-4924-8e6c-b804347605e8	X
admet-835	445	2	.	.	PUNCT
admet-835	446	1	[	[	X
admet-835	446	2	30	30	NUM
admet-835	446	3	]	]	X
admet-835	446	4	c.a	c.a	PROPN
admet-835	446	5	.	.	PROPN
admet-835	446	6	bergström	bergström	PROPN
admet-835	446	7	,	,	PUNCT
admet-835	446	8	c.m	c.m	PROPN
admet-835	446	9	.	.	PROPN
admet-835	446	10	wassvik	wassvik	PROPN
admet-835	446	11	,	,	PUNCT
admet-835	446	12	u.	u.	PROPN
admet-835	446	13	norinder	norinder	PROPN
admet-835	446	14	,	,	PUNCT
admet-835	446	15	k.	k.	PROPN
admet-835	446	16	luthman	luthman	PROPN
admet-835	446	17	,	,	PUNCT
admet-835	446	18	p.	p.	PROPN
admet-835	446	19	artursson	artursson	PROPN
admet-835	446	20	.	.	PUNCT
admet-835	447	1	global	global	ADJ
admet-835	447	2	and	and	CCONJ
admet-835	447	3	local	local	ADJ
admet-835	447	4	computational	computational	ADJ
admet-835	447	5	models	model	NOUN
admet-835	447	6	for	for	ADP
admet-835	447	7	aqueous	aqueous	ADJ
admet-835	447	8	solubility	solubility	NOUN
admet-835	447	9	prediction	prediction	NOUN
admet-835	447	10	of	of	ADP
admet-835	447	11	druglike	druglike	ADJ
admet-835	447	12	molecules	molecule	NOUN
admet-835	447	13	.	.	PUNCT
admet-835	448	1	j.	j.	PROPN
admet-835	448	2	chem	chem	PROPN
admet-835	448	3	.	.	PUNCT
admet-835	449	1	inf	inf	PROPN
admet-835	449	2	.	.	PUNCT
admet-835	449	3	comput	comput	PROPN
admet-835	449	4	.	.	PUNCT
admet-835	450	1	sci	sci	PROPN
admet-835	450	2	.	.	PROPN
admet-835	451	1	44	44	NUM
admet-835	451	2	(	(	PUNCT
admet-835	451	3	2004	2004	NUM
admet-835	451	4	)	)	PUNCT
admet-835	451	5	1477	1477	NUM
admet-835	451	6	-	-	SYM
admet-835	451	7	1488	1488	NUM
admet-835	451	8	.	.	PUNCT
admet-835	452	1	[	[	X
admet-835	452	2	31	31	NUM
admet-835	452	3	]	]	SYM
admet-835	452	4	c.m	c.m	PROPN
admet-835	452	5	.	.	PROPN
admet-835	452	6	wassvik	wassvik	PROPN
admet-835	452	7	,	,	PUNCT
admet-835	452	8	a.g	a.g	PROPN
admet-835	452	9	.	.	PROPN
admet-835	452	10	holmen	holmen	PROPN
admet-835	452	11	,	,	PUNCT
admet-835	452	12	c.a	c.a	PROPN
admet-835	452	13	.	.	PROPN
admet-835	452	14	bergström	bergström	PROPN
admet-835	452	15	,	,	PUNCT
admet-835	452	16	i.	i.	PROPN
admet-835	452	17	zamora	zamora	PROPN
admet-835	452	18	,	,	PUNCT
admet-835	452	19	p.	p.	PROPN
admet-835	452	20	artursson	artursson	PROPN
admet-835	452	21	.	.	PUNCT
admet-835	453	1	contribution	contribution	NOUN
admet-835	453	2	of	of	ADP
admet-835	453	3	solid	solid	ADJ
admet-835	453	4	-	-	PUNCT
admet-835	453	5	state	state	NOUN
admet-835	453	6	properties	property	NOUN
admet-835	453	7	to	to	ADP
admet-835	453	8	the	the	DET
admet-835	453	9	aqueous	aqueous	ADJ
admet-835	453	10	solubility	solubility	NOUN
admet-835	453	11	of	of	ADP
admet-835	453	12	drugs	drug	NOUN
admet-835	453	13	.	.	PUNCT
admet-835	454	1	eur	eur	PROPN
admet-835	454	2	.	.	PUNCT
admet-835	455	1	j.	j.	PROPN
admet-835	455	2	pharm	pharm	PROPN
admet-835	455	3	.	.	PUNCT
admet-835	456	1	sci	sci	PROPN
admet-835	456	2	.	.	PROPN
admet-835	456	3	29	29	NUM
admet-835	456	4	(	(	PUNCT
admet-835	456	5	2006	2006	NUM
admet-835	456	6	)	)	PUNCT
admet-835	456	7	294	294	NUM
admet-835	456	8	-	-	SYM
admet-835	456	9	305	305	NUM
admet-835	456	10	.	.	PUNCT
admet-835	457	1	[	[	X
admet-835	457	2	32	32	NUM
admet-835	457	3	]	]	X
admet-835	457	4	r	r	NOUN
admet-835	457	5	core	core	NOUN
admet-835	457	6	team	team	NOUN
admet-835	457	7	(	(	PUNCT
admet-835	457	8	2019	2019	NUM
admet-835	457	9	)	)	PUNCT
admet-835	457	10	.	.	PUNCT
admet-835	458	1	r	r	X
admet-835	458	2	:	:	PUNCT
admet-835	458	3	a	a	DET
admet-835	458	4	language	language	NOUN
admet-835	458	5	and	and	CCONJ
admet-835	458	6	environment	environment	NOUN
admet-835	458	7	for	for	ADP
admet-835	458	8	statistical	statistical	ADJ
admet-835	458	9	computing	computing	NOUN
admet-835	458	10	.	.	PUNCT
admet-835	459	1	r	r	NOUN
admet-835	459	2	foundation	foundation	NOUN
admet-835	459	3	for	for	ADP
admet-835	459	4	statistical	statistical	ADJ
admet-835	459	5	computing	computing	NOUN
admet-835	459	6	,	,	PUNCT
admet-835	459	7	vienna	vienna	PROPN
admet-835	459	8	,	,	PUNCT
admet-835	459	9	austria	austria	PROPN
admet-835	459	10	.	.	PUNCT
admet-835	460	1	http://www.r-project.org/.	http://www.r-project.org/.	PROPN
admet-835	461	1	[	[	X
admet-835	461	2	33	33	NUM
admet-835	461	3	]	]	PUNCT
admet-835	461	4	l.	l.	PROPN
admet-835	461	5	breiman	breiman	PROPN
admet-835	461	6	.	.	PUNCT
admet-835	462	1	random	random	ADJ
admet-835	462	2	forests	forest	NOUN
admet-835	462	3	.	.	PUNCT
admet-835	463	1	mach	mach	NOUN
admet-835	463	2	.	.	PUNCT
admet-835	464	1	learn	learn	VERB
admet-835	464	2	.	.	PUNCT
admet-835	465	1	45	45	NUM
admet-835	465	2	(	(	PUNCT
admet-835	465	3	2001	2001	NUM
admet-835	465	4	)	)	PUNCT
admet-835	465	5	5	5	NUM
admet-835	465	6	-	-	SYM
admet-835	465	7	32	32	NUM
admet-835	465	8	.	.	PUNCT
admet-835	466	1	http://dx.doi.org/10.1023/a:1010933404324	http://dx.doi.org/10.1023/a:1010933404324	PROPN
admet-835	467	1	[	[	X
admet-835	467	2	34	34	NUM
admet-835	467	3	]	]	PUNCT
admet-835	467	4	v.	v.	CCONJ
admet-835	467	5	svetnik	svetnik	PROPN
admet-835	467	6	,	,	PUNCT
admet-835	467	7	a.	a.	PROPN
admet-835	467	8	liaw	liaw	PROPN
admet-835	467	9	,	,	PUNCT
admet-835	467	10	c.	c.	PROPN
admet-835	467	11	tong	tong	PROPN
admet-835	467	12	,	,	PUNCT
admet-835	467	13	j.c	j.c	PROPN
admet-835	467	14	.	.	PROPN
admet-835	467	15	culberson	culberson	PROPN
admet-835	467	16	,	,	PUNCT
admet-835	467	17	r.p	r.p	PROPN
admet-835	467	18	.	.	PROPN
admet-835	467	19	sheridan	sheridan	PROPN
admet-835	467	20	,	,	PUNCT
admet-835	467	21	b.p	b.p	PROPN
admet-835	467	22	.	.	PROPN
admet-835	467	23	feuston	feuston	NOUN
admet-835	467	24	.	.	PUNCT
admet-835	468	1	random	random	ADJ
admet-835	468	2	forest	forest	NOUN
admet-835	468	3	:	:	PUNCT
admet-835	468	4	a	a	DET
admet-835	468	5	classification	classification	NOUN
admet-835	468	6	and	and	CCONJ
admet-835	468	7	regression	regression	NOUN
admet-835	468	8	tool	tool	NOUN
admet-835	468	9	for	for	ADP
admet-835	468	10	compound	compound	NOUN
admet-835	468	11	classification	classification	NOUN
admet-835	468	12	and	and	CCONJ
admet-835	468	13	qsar	qsar	NOUN
admet-835	468	14	modeling	modeling	NOUN
admet-835	468	15	.	.	PUNCT
admet-835	469	1	j.	j.	PROPN
admet-835	469	2	chem	chem	PROPN
admet-835	469	3	.	.	PUNCT
admet-835	470	1	inf	inf	PROPN
admet-835	470	2	.	.	PUNCT
admet-835	470	3	comput	comput	PROPN
admet-835	470	4	.	.	PUNCT
admet-835	471	1	sci	sci	PROPN
admet-835	471	2	.	.	PROPN
admet-835	472	1	43	43	NUM
admet-835	472	2	(	(	PUNCT
admet-835	472	3	2003	2003	NUM
admet-835	472	4	)	)	PUNCT
admet-835	472	5	1947	1947	NUM
admet-835	472	6	-	-	SYM
admet-835	472	7	1958	1958	NUM
admet-835	472	8	.	.	PUNCT
admet-835	473	1	http://dx.doi.org/10.1021/ci034160	http://dx.doi.org/10.1021/ci034160	PROPN
admet-835	473	2	g.	g.	PROPN
admet-835	473	3	[	[	X
admet-835	473	4	35	35	NUM
admet-835	473	5	]	]	X
admet-835	473	6	f.	f.	PROPN
admet-835	473	7	galton	galton	PROPN
admet-835	473	8	.	.	PUNCT
admet-835	474	1	vox	vox	PROPN
admet-835	474	2	populi	populi	PROPN
admet-835	474	3	.	.	PUNCT
admet-835	475	1	nature	nature	NOUN
admet-835	475	2	75	75	NUM
admet-835	475	3	(	(	PUNCT
admet-835	475	4	1907	1907	NUM
admet-835	475	5	)	)	PUNCT
admet-835	475	6	450	450	NUM
admet-835	475	7	-	-	SYM
admet-835	475	8	451	451	NUM
admet-835	475	9	.	.	PUNCT
admet-835	476	1	https://dx.doi.org/10.1038/075450a0	https://dx.doi.org/10.1038/075450a0	NOUN
admet-835	476	2	.	.	PUNCT
admet-835	477	1	[	[	X
admet-835	477	2	36	36	NUM
admet-835	477	3	]	]	X
admet-835	477	4	j.	j.	PROPN
admet-835	477	5	surowiecki	surowiecki	PROPN
admet-835	477	6	.	.	PUNCT
admet-835	478	1	the	the	DET
admet-835	478	2	wisdom	wisdom	NOUN
admet-835	478	3	of	of	ADP
admet-835	478	4	crowds	crowd	NOUN
admet-835	478	5	:	:	PUNCT
admet-835	478	6	why	why	SCONJ
admet-835	478	7	the	the	DET
admet-835	478	8	many	many	ADJ
admet-835	478	9	are	be	AUX
admet-835	478	10	smarter	smart	ADJ
admet-835	478	11	than	than	ADP
admet-835	478	12	the	the	DET
admet-835	478	13	few	few	ADJ
admet-835	478	14	and	and	CCONJ
admet-835	478	15	how	how	SCONJ
admet-835	478	16	collective	collective	ADJ
admet-835	478	17	wisdom	wisdom	NOUN
admet-835	478	18	shapes	shape	VERB
admet-835	478	19	business	business	NOUN
admet-835	478	20	,	,	PUNCT
admet-835	478	21	economies	economy	NOUN
admet-835	478	22	,	,	PUNCT
admet-835	478	23	societies	society	NOUN
admet-835	478	24	,	,	PUNCT
admet-835	478	25	and	and	CCONJ
admet-835	478	26	nations	nation	NOUN
admet-835	478	27	.	.	PUNCT
admet-835	479	1	doubleday	doubleday	PROPN
admet-835	479	2	,	,	PUNCT
admet-835	479	3	new	new	PROPN
admet-835	479	4	york	york	PROPN
admet-835	479	5	2004	2004	NUM
admet-835	479	6	.	.	PUNCT
admet-835	480	1	[	[	X
admet-835	480	2	37	37	NUM
admet-835	480	3	]	]	PUNCT
admet-835	480	4	a.	a.	NOUN
admet-835	480	5	liaw	liaw	PROPN
admet-835	480	6	,	,	PUNCT
admet-835	480	7	m.	m.	NOUN
admet-835	480	8	wiener	wiener	NOUN
admet-835	480	9	.	.	PUNCT
admet-835	481	1	randomforest	randomforest	PROPN
admet-835	481	2	:	:	PUNCT
admet-835	481	3	breiman	breiman	NOUN
admet-835	481	4	and	and	CCONJ
admet-835	481	5	cutler	cutler	NOUN
admet-835	481	6	's	's	PART
admet-835	481	7	random	random	ADJ
admet-835	481	8	forests	forest	NOUN
admet-835	481	9	for	for	ADP
admet-835	481	10	classification	classification	NOUN
admet-835	481	11	and	and	CCONJ
admet-835	481	12	regression	regression	NOUN
admet-835	481	13	,	,	PUNCT
admet-835	481	14	r	r	NOUN
admet-835	481	15	package	package	NOUN
admet-835	481	16	version	version	NOUN
admet-835	481	17	4.5	4.5	NUM
admet-835	481	18	-	-	SYM
admet-835	481	19	25	25	NUM
admet-835	481	20	(	(	PUNCT
admet-835	481	21	2008	2008	NUM
admet-835	481	22	)	)	PUNCT
admet-835	481	23	.	.	PUNCT
admet-835	482	1	http://cran.r-project.org/package=randomforest	http://cran.r-project.org/package=randomfor	ADJ
admet-835	482	2	.	.	PUNCT
admet-835	483	1	[	[	X
admet-835	483	2	38	38	NUM
admet-835	483	3	]	]	PUNCT
admet-835	483	4	l.	l.	PROPN
admet-835	483	5	breiman	breiman	PROPN
admet-835	483	6	,	,	PUNCT
admet-835	483	7	bagging	bag	VERB
admet-835	483	8	predictors	predictor	NOUN
admet-835	483	9	.	.	PUNCT
admet-835	484	1	machine	machine	NOUN
admet-835	484	2	learning	learn	VERB
admet-835	484	3	24	24	NUM
admet-835	484	4	(	(	PUNCT
admet-835	484	5	1996	1996	NUM
admet-835	484	6	)	)	PUNCT
admet-835	485	1	123–140	123–140	NUM
admet-835	485	2	.	.	PUNCT
admet-835	486	1	[	[	X
admet-835	486	2	39	39	NUM
admet-835	486	3	]	]	PUNCT
admet-835	486	4	p.	p.	NOUN
admet-835	486	5	geurts	geurts	PROPN
admet-835	486	6	,	,	PUNCT
admet-835	486	7	d.	d.	PROPN
admet-835	486	8	ernst	ernst	PROPN
admet-835	486	9	,	,	PUNCT
admet-835	486	10	l.	l.	PROPN
admet-835	486	11	wehenkel	wehenkel	PROPN
admet-835	486	12	.	.	PUNCT
admet-835	487	1	extremely	extremely	ADV
admet-835	487	2	randomized	randomize	VERB
admet-835	487	3	trees	tree	NOUN
admet-835	487	4	.	.	PUNCT
admet-835	488	1	machine	machine	NOUN
admet-835	488	2	learning	learn	VERB
admet-835	488	3	63	63	NUM
admet-835	488	4	(	(	PUNCT
admet-835	488	5	2006	2006	NUM
admet-835	488	6	)	)	PUNCT
admet-835	488	7	3	3	NUM
admet-835	488	8	-	-	SYM
admet-835	488	9	42	42	NUM
admet-835	488	10	.	.	PUNCT
admet-835	489	1	[	[	X
admet-835	489	2	40	40	NUM
admet-835	489	3	]	]	X
admet-835	489	4	m.e	m.e	PROPN
admet-835	489	5	.	.	PROPN
admet-835	489	6	tipping	tipping	NOUN
admet-835	489	7	.	.	PUNCT
admet-835	490	1	sparse	sparse	ADJ
admet-835	490	2	bayesian	bayesian	NOUN
admet-835	490	3	learning	learning	NOUN
admet-835	490	4	and	and	CCONJ
admet-835	490	5	the	the	DET
admet-835	490	6	relevance	relevance	NOUN
admet-835	490	7	vector	vector	NOUN
admet-835	490	8	machine	machine	NOUN
admet-835	490	9	.	.	PUNCT
admet-835	491	1	journal	journal	PROPN
admet-835	491	2	of	of	ADP
admet-835	491	3	machine	machine	NOUN
admet-835	491	4	learning	learn	VERB
admet-835	491	5	research	research	NOUN
admet-835	491	6	1	1	NUM
admet-835	491	7	(	(	PUNCT
admet-835	491	8	2001	2001	NUM
admet-835	491	9	)	)	PUNCT
admet-835	491	10	211	211	NUM
admet-835	491	11	-	-	SYM
admet-835	491	12	244	244	NUM
admet-835	491	13	.	.	PUNCT
admet-835	492	1	[	[	X
admet-835	492	2	41	41	NUM
admet-835	492	3	]	]	X
admet-835	492	4	l.	l.	PROPN
admet-835	492	5	mouselimis	mouselimis	PROPN
admet-835	492	6	.	.	PUNCT
admet-835	493	1	kernelknn	kernelknn	PROPN
admet-835	493	2	r	r	NOUN
admet-835	493	3	package	package	NOUN
admet-835	493	4	version	version	NOUN
admet-835	493	5	1.1.0	1.1.0	NUM
admet-835	493	6	(	(	PUNCT
admet-835	493	7	2019	2019	NUM
admet-835	493	8	)	)	PUNCT
admet-835	493	9	.	.	PUNCT
admet-835	494	1	https://cran.r-project.org/web/packages/kernelknn/index.html	https://cran.r-project.org/web/packages/kernelknn/index.html	X
admet-835	494	2	.	.	PUNCT
admet-835	495	1	[	[	X
admet-835	495	2	42	42	NUM
admet-835	495	3	]	]	X
admet-835	495	4	c.	c.	PROPN
admet-835	495	5	bergmeir	bergmeir	PROPN
admet-835	495	6	.	.	PUNCT
admet-835	496	1	rsnns	rsnns	PROPN
admet-835	496	2	r	r	NOUN
admet-835	496	3	package	package	NOUN
admet-835	496	4	version	version	NOUN
admet-835	496	5	0.4	0.4	NUM
admet-835	496	6	-	-	SYM
admet-835	496	7	12	12	NUM
admet-835	496	8	(	(	PUNCT
admet-835	496	9	2019	2019	NUM
admet-835	496	10	)	)	PUNCT
admet-835	496	11	.	.	PUNCT
admet-835	497	1	https://cran.r-project.org/web/packages/rsnns/rsnns.pdf	https://cran.r-project.org/web/packages/rsnns/rsnns.pdf	PROPN
admet-835	497	2	.	.	PUNCT
admet-835	498	1	[	[	X
admet-835	498	2	43	43	NUM
admet-835	498	3	]	]	X
admet-835	498	4	c.	c.	PROPN
admet-835	498	5	steinbeck	steinbeck	PROPN
admet-835	498	6	,	,	PUNCT
admet-835	498	7	y.	y.	PROPN
admet-835	498	8	han	han	PROPN
admet-835	498	9	,	,	PUNCT
admet-835	498	10	s.	s.	PROPN
admet-835	498	11	kuhn	kuhn	PROPN
admet-835	498	12	,	,	PUNCT
admet-835	498	13	o.	o.	PROPN
admet-835	498	14	horlacher	horlacher	PROPN
admet-835	498	15	,	,	PUNCT
admet-835	498	16	e.	e.	PROPN
admet-835	498	17	luttmann	luttmann	PROPN
admet-835	498	18	,	,	PUNCT
admet-835	498	19	e.	e.	PROPN
admet-835	498	20	willighagen	willighagen	PROPN
admet-835	498	21	.	.	PUNCT
admet-835	499	1	the	the	DET
admet-835	499	2	chemistry	chemistry	NOUN
admet-835	499	3	development	development	NOUN
admet-835	499	4	kit	kit	NOUN
admet-835	499	5	(	(	PUNCT
admet-835	499	6	cdk	cdk	PROPN
admet-835	499	7	):	):	PUNCT
admet-835	499	8	an	an	DET
admet-835	499	9	open	open	ADJ
admet-835	499	10	-	-	PUNCT
admet-835	499	11	source	source	NOUN
admet-835	499	12	java	java	PROPN
admet-835	499	13	library	library	NOUN
admet-835	499	14	for	for	ADP
admet-835	499	15	chemoand	chemoand	ADJ
admet-835	499	16	bioinformatics	bioinformatic	NOUN
admet-835	499	17	.	.	PUNCT
admet-835	500	1	journal	journal	PROPN
admet-835	500	2	of	of	ADP
admet-835	500	3	chemical	chemical	ADJ
admet-835	500	4	information	information	NOUN
admet-835	500	5	and	and	CCONJ
admet-835	500	6	computer	computer	NOUN
admet-835	500	7	sciences	science	NOUN
admet-835	500	8	43	43	NUM
admet-835	500	9	(	(	PUNCT
admet-835	500	10	2003	2003	NUM
admet-835	500	11	)	)	PUNCT
admet-835	500	12	493	493	NUM
admet-835	500	13	-	-	SYM
admet-835	500	14	500	500	NUM
admet-835	500	15	.	.	PUNCT
admet-835	501	1	http://dx.doi.org/10.1021/ci400187y	http://dx.doi.org/10.1021/ci400187y	PROPN
admet-835	501	2	http://dx.doi.org/10.1021/ci800058v	http://dx.doi.org/10.1021/ci800058v	VERB
admet-835	501	3	http://dx.doi.org/10.1002/cbdv.200900164	http://dx.doi.org/10.1002/cbdv.200900164	NOUN
admet-835	501	4	https://doi.org/10.1021/acs.jcim.9b00345	https://doi.org/10.1021/acs.jcim.9b00345	INTJ
admet-835	501	5	http://dx.doi.org/10.1021/ci4005805	http://dx.doi.org/10.1021/ci4005805	PROPN
admet-835	501	6	http://dx.doi.org/10.1186/s13321-017-0250-y	http://dx.doi.org/10.1186/s13321-017-0250-y	VERB
admet-835	501	7	http://dx.doi.org/10.17630/3a3a5abc-8458-4924-8e6c-b804347605e8	http://dx.doi.org/10.17630/3a3a5abc-8458-4924-8e6c-b804347605e8	PROPN
admet-835	501	8	http://www.r-project.org/	http://www.r-project.org/	PROPN
admet-835	501	9	http://dx.doi.org/10.1023/a:%1f1010933404324	http://dx.doi.org/10.1023/a:%1f1010933404324	PROPN
admet-835	501	10	http://dx.doi.org/10.1023/a:%1f1010933404324	http://dx.doi.org/10.1023/a:%1f1010933404324	PROPN
admet-835	501	11	http://dx.doi.org/10.1021/ci034160	http://dx.doi.org/10.1021/ci034160	PROPN
admet-835	501	12	g	g	PROPN
admet-835	501	13	https://dx.doi.org/10.1038/075450a0	https://dx.doi.org/10.1038/075450a0	X
admet-835	501	14	http://cran.r-project.org/package=randomforest	http://cran.r-project.org/package=randomfor	ADJ
admet-835	501	15	https://cran.r-project.org/web/%1fpackages/%1fkernelknn/index.html	https://cran.r-project.org/web/%1fpackages/%1fkernelknn/index.html	PROPN
admet-835	501	16	https://cran.r-project.org/web/%1fpackages/%1fkernelknn/index.html	https://cran.r-project.org/web/%1fpackages/%1fkernelknn/index.html	PROPN
admet-835	501	17	https://cran.r-project.org/web/%1fpackages/rsnns/rsnns.pdf	https://cran.r-project.org/web/%1fpackages/rsnns/rsnns.pdf	PROPN
admet-835	501	18	https://cran.r-project.org/web/%1fpackages/rsnns/rsnns.pdf	https://cran.r-project.org/web/%1fpackages/rsnns/rsnns.pdf	PROPN
admet-835	501	19	admet	admet	PROPN
admet-835	501	20	&	&	CCONJ
admet-835	501	21	dmpk	dmpk	PROPN
admet-835	501	22	8(3	8(3	NUM
admet-835	501	23	)	)	PUNCT
admet-835	501	24	(	(	PUNCT
admet-835	501	25	2020	2020	NUM
admet-835	501	26	)	)	PUNCT
admet-835	501	27	215	215	NUM
admet-835	501	28	-	-	SYM
admet-835	501	29	250	250	NUM
admet-835	501	30	machine	machine	NOUN
admet-835	501	31	learning	learning	NOUN
admet-835	501	32	models	model	NOUN
admet-835	501	33	for	for	ADP
admet-835	501	34	the	the	DET
admet-835	501	35	2019	2019	NUM
admet-835	501	36	solubility	solubility	NOUN
admet-835	501	37	challenge	challenge	NOUN
admet-835	501	38	doi	doi	NOUN
admet-835	501	39	:	:	PUNCT
admet-835	501	40	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	501	41	231	231	NUM
admet-835	501	42	[	[	SYM
admet-835	501	43	44	44	NUM
admet-835	501	44	]	]	SYM
admet-835	501	45	n.m	n.m	PROPN
admet-835	501	46	.	.	PROPN
admet-835	501	47	o’boyle	o’boyle	PROPN
admet-835	501	48	.	.	PROPN
admet-835	502	1	towards	towards	ADP
admet-835	502	2	a	a	DET
admet-835	502	3	universal	universal	ADJ
admet-835	502	4	smiles	smile	NOUN
admet-835	502	5	representation	representation	NOUN
admet-835	502	6	a	a	DET
admet-835	502	7	standard	standard	ADJ
admet-835	502	8	method	method	NOUN
admet-835	502	9	to	to	PART
admet-835	502	10	generate	generate	VERB
admet-835	502	11	canonical	canonical	ADJ
admet-835	502	12	smiles	smile	NOUN
admet-835	502	13	based	base	VERB
admet-835	502	14	on	on	ADP
admet-835	502	15	the	the	DET
admet-835	502	16	inchi	inchi	NOUN
admet-835	502	17	.	.	PUNCT
admet-835	503	1	journal	journal	PROPN
admet-835	503	2	of	of	ADP
admet-835	503	3	cheminformatics	cheminformatic	NOUN
admet-835	503	4	4	4	NUM
admet-835	503	5	(	(	PUNCT
admet-835	503	6	2012	2012	NUM
admet-835	503	7	)	)	PUNCT
admet-835	503	8	22	22	NUM
admet-835	503	9	.	.	PUNCT
admet-835	504	1	doi	doi	NOUN
admet-835	504	2	:	:	PUNCT
admet-835	504	3	10.1186/17582946	10.1186/17582946	NUM
admet-835	504	4	-	-	SYM
admet-835	504	5	4	4	NUM
admet-835	504	6	-	-	NUM
admet-835	504	7	22	22	NUM
admet-835	504	8	.	.	PUNCT
admet-835	505	1	[	[	X
admet-835	505	2	45	45	NUM
admet-835	505	3	]	]	PUNCT
admet-835	505	4	a.	a.	NOUN
admet-835	505	5	avdeef	avdeef	PROPN
admet-835	505	6	,	,	PUNCT
admet-835	505	7	prediction	prediction	NOUN
admet-835	505	8	of	of	ADP
admet-835	505	9	aqueous	aqueous	ADJ
admet-835	505	10	intrinsic	intrinsic	ADJ
admet-835	505	11	solubility	solubility	NOUN
admet-835	505	12	of	of	ADP
admet-835	505	13	druglike	druglike	ADJ
admet-835	505	14	molecules	molecule	NOUN
admet-835	505	15	using	use	VERB
admet-835	505	16	random	random	ADJ
admet-835	505	17	forest	forest	NOUN
admet-835	505	18	regression	regression	NOUN
admet-835	505	19	trained	train	VERB
admet-835	505	20	with	with	ADP
admet-835	505	21	wiki	wiki	NOUN
admet-835	505	22	-	-	PUNCT
admet-835	505	23	ps0	ps0	ADJ
admet-835	505	24	database	database	NOUN
admet-835	505	25	.	.	PUNCT
admet-835	506	1	admet	admet	PROPN
admet-835	506	2	&	&	CCONJ
admet-835	506	3	dmpk	dmpk	PROPN
admet-835	506	4	8	8	NUM
admet-835	506	5	(	(	PUNCT
admet-835	506	6	2020	2020	NUM
admet-835	506	7	)	)	PUNCT
admet-835	506	8	29	29	NUM
admet-835	506	9	-	-	SYM
admet-835	506	10	77	77	NUM
admet-835	506	11	.	.	PUNCT
admet-835	507	1	http://dx.doi.org/10.5599/admet.766	http://dx.doi.org/10.5599/admet.766	PROPN
admet-835	507	2	.	.	PUNCT
admet-835	508	1	[	[	X
admet-835	508	2	46	46	NUM
admet-835	508	3	]	]	X
admet-835	508	4	a.	a.	NOUN
admet-835	508	5	avdeef	avdeef	PROPN
admet-835	508	6	,	,	PUNCT
admet-835	508	7	multi	multi	ADJ
admet-835	508	8	-	-	ADJ
admet-835	508	9	lab	lab	ADJ
admet-835	508	10	intrinsic	intrinsic	ADJ
admet-835	508	11	solubility	solubility	NOUN
admet-835	508	12	measurement	measurement	NOUN
admet-835	508	13	reproducibility	reproducibility	NOUN
admet-835	508	14	in	in	ADP
admet-835	508	15	cheqsol	cheqsol	NOUN
admet-835	508	16	and	and	CCONJ
admet-835	508	17	shake	shake	NOUN
admet-835	508	18	-	-	PUNCT
admet-835	508	19	flask	flask	NOUN
admet-835	508	20	methods	method	NOUN
admet-835	508	21	.	.	PUNCT
admet-835	509	1	admet	admet	PROPN
admet-835	509	2	&	&	CCONJ
admet-835	509	3	dmpk	dmpk	PROPN
admet-835	509	4	7	7	NUM
admet-835	509	5	(	(	PUNCT
admet-835	509	6	2019	2019	NUM
admet-835	509	7	)	)	PUNCT
admet-835	509	8	210	210	NUM
admet-835	509	9	-	-	SYM
admet-835	509	10	219	219	NUM
admet-835	509	11	.	.	PUNCT
admet-835	509	12	http://dx.doi.org/10.5599/admet.698	http://dx.doi.org/10.5599/admet.698	NOUN
admet-835	509	13	.	.	PUNCT
admet-835	510	1	[	[	X
admet-835	510	2	47	47	NUM
admet-835	510	3	]	]	X
admet-835	510	4	e.	e.	PROPN
admet-835	510	5	rytting	rytting	PROPN
admet-835	510	6	,	,	PUNCT
admet-835	510	7	k.a	k.a	PROPN
admet-835	510	8	.	.	PROPN
admet-835	510	9	lentz	lentz	PROPN
admet-835	510	10	,	,	PUNCT
admet-835	510	11	x.-q	x.-q	PROPN
admet-835	510	12	.	.	PUNCT
admet-835	511	1	chen	chen	PROPN
admet-835	511	2	,	,	PUNCT
admet-835	511	3	f.	f.	PROPN
admet-835	511	4	qian	qian	PROPN
admet-835	511	5	,	,	PUNCT
admet-835	511	6	s.	s.	PROPN
admet-835	511	7	venkatesh	venkatesh	PROPN
admet-835	511	8	.	.	PUNCT
admet-835	512	1	aqueous	aqueous	ADJ
admet-835	512	2	and	and	CCONJ
admet-835	512	3	cosolvent	cosolvent	ADJ
admet-835	512	4	solubility	solubility	NOUN
admet-835	512	5	data	datum	NOUN
admet-835	512	6	for	for	ADP
admet-835	512	7	drug	drug	NOUN
admet-835	512	8	-	-	PUNCT
admet-835	512	9	like	like	ADJ
admet-835	512	10	organic	organic	ADJ
admet-835	512	11	compounds	compound	NOUN
admet-835	512	12	.	.	PUNCT
admet-835	513	1	aaps	aap	NOUN
admet-835	513	2	j.	j.	PROPN
admet-835	513	3	7	7	NUM
admet-835	513	4	(	(	PUNCT
admet-835	513	5	2005	2005	NUM
admet-835	513	6	)	)	PUNCT
admet-835	513	7	e78	e78	NOUN
admet-835	513	8	–	–	PUNCT
admet-835	513	9	e105	e105	PROPN
admet-835	513	10	.	.	PUNCT
admet-835	514	1	[	[	X
admet-835	514	2	48	48	NUM
admet-835	514	3	]	]	X
admet-835	514	4	s.h	s.h	PROPN
admet-835	514	5	.	.	NOUN
admet-835	514	6	yalkowsky	yalkowsky	ADJ
admet-835	514	7	,	,	PUNCT
admet-835	514	8	y.	y.	PROPN
admet-835	514	9	he	he	PRON
admet-835	514	10	,	,	PUNCT
admet-835	514	11	p.	p.	PROPN
admet-835	514	12	jain	jain	PROPN
admet-835	514	13	,	,	PUNCT
admet-835	514	14	handbook	handbook	NOUN
admet-835	514	15	of	of	ADP
admet-835	514	16	aqueous	aqueous	ADJ
admet-835	514	17	solubility	solubility	NOUN
admet-835	514	18	data	datum	NOUN
admet-835	514	19	,	,	PUNCT
admet-835	514	20	crc	crc	NOUN
admet-835	514	21	press	press	PROPN
admet-835	514	22	,	,	PUNCT
admet-835	514	23	boca	boca	PROPN
admet-835	514	24	raton	raton	PROPN
admet-835	514	25	fl	fl	PROPN
admet-835	514	26	,	,	PUNCT
admet-835	514	27	usa	usa	PROPN
admet-835	514	28	(	(	PUNCT
admet-835	514	29	2010	2010	NUM
admet-835	514	30	)	)	PUNCT
admet-835	514	31	.	.	PUNCT
admet-835	515	1	[	[	X
admet-835	515	2	49	49	NUM
admet-835	515	3	]	]	PUNCT
admet-835	515	4	k.	k.	PROPN
admet-835	515	5	baek	baek	PROPN
admet-835	515	6	,	,	PUNCT
admet-835	515	7	s.b	s.b	PROPN
admet-835	515	8	.	.	PROPN
admet-835	515	9	jeon	jeon	PROPN
admet-835	515	10	,	,	PUNCT
admet-835	515	11	b.k	b.k	PROPN
admet-835	515	12	.	.	PROPN
admet-835	515	13	kim	kim	PROPN
admet-835	515	14	,	,	PUNCT
admet-835	515	15	n.s	n.s	PROPN
admet-835	515	16	.	.	PROPN
admet-835	515	17	kang	kang	PROPN
admet-835	515	18	.	.	PUNCT
admet-835	516	1	method	method	PROPN
admet-835	516	2	validation	validation	NOUN
admet-835	516	3	for	for	ADP
admet-835	516	4	equilibrium	equilibrium	NOUN
admet-835	516	5	solubility	solubility	NOUN
admet-835	516	6	and	and	CCONJ
admet-835	516	7	determination	determination	NOUN
admet-835	516	8	of	of	ADP
admet-835	516	9	temperature	temperature	NOUN
admet-835	516	10	effect	effect	NOUN
admet-835	516	11	on	on	ADP
admet-835	516	12	the	the	DET
admet-835	516	13	ionization	ionization	NOUN
admet-835	516	14	constant	constant	ADJ
admet-835	516	15	and	and	CCONJ
admet-835	516	16	intrinsic	intrinsic	ADJ
admet-835	516	17	solubility	solubility	NOUN
admet-835	516	18	of	of	ADP
admet-835	516	19	drugs	drug	NOUN
admet-835	516	20	.	.	PUNCT
admet-835	517	1	j.	j.	PROPN
admet-835	517	2	pharm	pharm	PROPN
admet-835	517	3	.	.	PUNCT
admet-835	518	1	sci	sci	PROPN
admet-835	518	2	.	.	PROPN
admet-835	518	3	emerg	emerg	PROPN
admet-835	518	4	.	.	PUNCT
admet-835	518	5	drug	drug	NOUN
admet-835	518	6	6	6	NUM
admet-835	518	7	(	(	PUNCT
admet-835	518	8	2018	2018	NUM
admet-835	518	9	)	)	PUNCT
admet-835	518	10	1	1	NUM
admet-835	519	1	[	[	SYM
admet-835	519	2	50	50	NUM
admet-835	519	3	]	]	X
admet-835	519	4	c.a	c.a	PROPN
admet-835	519	5	.	.	PROPN
admet-835	519	6	bergström	bergström	PROPN
admet-835	519	7	,	,	PUNCT
admet-835	519	8	k.	k.	PROPN
admet-835	519	9	luthman	luthman	PROPN
admet-835	519	10	,	,	PUNCT
admet-835	519	11	p.	p.	PROPN
admet-835	519	12	artursson	artursson	PROPN
admet-835	519	13	.	.	PUNCT
admet-835	520	1	accuracy	accuracy	NOUN
admet-835	520	2	of	of	ADP
admet-835	520	3	calculated	calculated	ADJ
admet-835	520	4	ph	ph	ADJ
admet-835	520	5	-	-	ADJ
admet-835	520	6	dependent	dependent	ADJ
admet-835	520	7	aqueous	aqueous	ADJ
admet-835	520	8	drug	drug	NOUN
admet-835	520	9	solubility	solubility	NOUN
admet-835	520	10	.	.	PUNCT
admet-835	521	1	eur	eur	PROPN
admet-835	521	2	j	j	PROPN
admet-835	521	3	pharm	pharm	PROPN
admet-835	521	4	sci	sci	PROPN
admet-835	521	5	.	.	PROPN
admet-835	521	6	22	22	NUM
admet-835	521	7	(	(	PUNCT
admet-835	521	8	2004	2004	NUM
admet-835	521	9	)	)	PUNCT
admet-835	521	10	387	387	NUM
admet-835	521	11	-	-	SYM
admet-835	521	12	398	398	NUM
admet-835	521	13	.	.	PUNCT
admet-835	522	1	[	[	X
admet-835	522	2	51	51	NUM
admet-835	522	3	]	]	PUNCT
admet-835	522	4	j.	j.	PROPN
admet-835	522	5	comer	comer	PROPN
admet-835	522	6	,	,	PUNCT
admet-835	522	7	s.	s.	PROPN
admet-835	522	8	judge	judge	PROPN
admet-835	522	9	,	,	PUNCT
admet-835	522	10	d.	d.	PROPN
admet-835	522	11	matthews	matthews	PROPN
admet-835	522	12	,	,	PUNCT
admet-835	522	13	l.	l.	PROPN
admet-835	522	14	towers	towers	PROPN
admet-835	522	15	,	,	PUNCT
admet-835	522	16	b.	b.	PROPN
admet-835	522	17	falcone	falcone	PROPN
admet-835	522	18	,	,	PUNCT
admet-835	522	19	j.	j.	PROPN
admet-835	522	20	goodman	goodman	PROPN
admet-835	522	21	,	,	PUNCT
admet-835	522	22	j.	j.	PROPN
admet-835	522	23	dearden	dearden	PROPN
admet-835	522	24	.	.	PUNCT
admet-835	523	1	the	the	DET
admet-835	523	2	intrinsic	intrinsic	ADJ
admet-835	523	3	aqueous	aqueous	ADJ
admet-835	523	4	solubility	solubility	NOUN
admet-835	523	5	of	of	ADP
admet-835	523	6	indomethacin	indomethacin	PROPN
admet-835	523	7	.	.	PUNCT
admet-835	524	1	admet	admet	PROPN
admet-835	524	2	&	&	CCONJ
admet-835	524	3	dmpk	dmpk	PROPN
admet-835	524	4	2	2	NUM
admet-835	524	5	(	(	PUNCT
admet-835	524	6	2014	2014	NUM
admet-835	524	7	)	)	PUNCT
admet-835	524	8	18	18	NUM
admet-835	524	9	-	-	SYM
admet-835	524	10	32	32	NUM
admet-835	524	11	.	.	PUNCT
admet-835	524	12	http://dx.doi.org/10.5599/admet.2.1.33	http://dx.doi.org/10.5599/admet.2.1.33	X
admet-835	524	13	.	.	PUNCT
admet-835	525	1	[	[	X
admet-835	525	2	52	52	NUM
admet-835	525	3	]	]	X
admet-835	525	4	d.s	d.s	PROPN
admet-835	525	5	.	.	PROPN
admet-835	525	6	palmer	palmer	PROPN
admet-835	525	7	,	,	PUNCT
admet-835	525	8	j.b.o	j.b.o	PROPN
admet-835	525	9	.	.	PROPN
admet-835	525	10	mitchell	mitchell	PROPN
admet-835	525	11	.	.	PUNCT
admet-835	525	12	is	be	AUX
admet-835	525	13	experimental	experimental	ADJ
admet-835	525	14	data	datum	NOUN
admet-835	525	15	quality	quality	NOUN
admet-835	525	16	the	the	DET
admet-835	525	17	limiting	limit	VERB
admet-835	525	18	factor	factor	NOUN
admet-835	525	19	in	in	ADP
admet-835	525	20	predicting	predict	VERB
admet-835	525	21	the	the	DET
admet-835	525	22	aqueous	aqueous	ADJ
admet-835	525	23	solubility	solubility	NOUN
admet-835	525	24	of	of	ADP
admet-835	525	25	druglike	druglike	ADJ
admet-835	525	26	molecules	molecule	NOUN
admet-835	525	27	?	?	PUNCT
admet-835	525	28	.	.	PUNCT
admet-835	526	1	molecular	molecular	ADJ
admet-835	526	2	pharmaceutics	pharmaceutic	NOUN
admet-835	526	3	11	11	NUM
admet-835	526	4	(	(	PUNCT
admet-835	526	5	2014	2014	NUM
admet-835	526	6	)	)	PUNCT
admet-835	526	7	2962	2962	NUM
admet-835	526	8	-	-	SYM
admet-835	526	9	2972	2972	NUM
admet-835	526	10	.	.	PUNCT
admet-835	527	1	https://doi.org/10.1021/mp500103r	https://doi.org/10.1021/mp500103r	X
admet-835	527	2	.	.	PUNCT
admet-835	528	1	[	[	X
admet-835	528	2	53	53	NUM
admet-835	528	3	]	]	X
admet-835	528	4	j.s	j.s	PROPN
admet-835	528	5	.	.	PUNCT
admet-835	528	6	delaney	delaney	PROPN
admet-835	528	7	,	,	PUNCT
admet-835	528	8	esol	esol	PROPN
admet-835	528	9	:	:	PUNCT
admet-835	528	10	 	 	SPACE
admet-835	528	11	estimating	estimate	VERB
admet-835	528	12	aqueous	aqueous	ADJ
admet-835	528	13	solubility	solubility	NOUN
admet-835	528	14	directly	directly	ADV
admet-835	528	15	from	from	ADP
admet-835	528	16	molecular	molecular	ADJ
admet-835	528	17	structure	structure	NOUN
admet-835	528	18	.	.	PUNCT
admet-835	529	1	j.	j.	PROPN
admet-835	529	2	chem	chem	PROPN
admet-835	529	3	.	.	PUNCT
admet-835	530	1	inf	inf	PROPN
admet-835	530	2	.	.	PUNCT
admet-835	530	3	comput	comput	PROPN
admet-835	530	4	.	.	PUNCT
admet-835	531	1	sci	sci	PROPN
admet-835	531	2	.	.	PROPN
admet-835	532	1	44	44	NUM
admet-835	532	2	(	(	PUNCT
admet-835	532	3	2004	2004	NUM
admet-835	532	4	)	)	PUNCT
admet-835	532	5	1000	1000	NUM
admet-835	532	6	-	-	SYM
admet-835	532	7	1005	1005	NUM
admet-835	532	8	.	.	PUNCT
admet-835	533	1	https://doi.org/10.1021/ci034243x	https://doi.org/10.1021/ci034243x	NOUN
admet-835	533	2	.	.	PUNCT
admet-835	534	1	[	[	X
admet-835	534	2	54	54	NUM
admet-835	534	3	]	]	PUNCT
admet-835	534	4	a.	a.	PROPN
admet-835	534	5	shareef	shareef	PROPN
admet-835	534	6	,	,	PUNCT
admet-835	534	7	m.j	m.j	PROPN
admet-835	534	8	.	.	PROPN
admet-835	534	9	angove	angove	PROPN
admet-835	534	10	,	,	PUNCT
admet-835	534	11	j.d	j.d	PROPN
admet-835	534	12	.	.	PROPN
admet-835	534	13	wells	wells	PROPN
admet-835	534	14	,	,	PUNCT
admet-835	534	15	b.b	b.b	PROPN
admet-835	534	16	.	.	PROPN
admet-835	534	17	johnson	johnson	PROPN
admet-835	534	18	.	.	PUNCT
admet-835	535	1	aqueous	aqueous	ADJ
admet-835	535	2	solubilities	solubility	NOUN
admet-835	535	3	of	of	ADP
admet-835	535	4	estrone	estrone	NOUN
admet-835	535	5	,	,	PUNCT
admet-835	535	6	17β	17β	NUM
admet-835	535	7	-	-	PUNCT
admet-835	535	8	estradiol	estradiol	PROPN
admet-835	535	9	,	,	PUNCT
admet-835	535	10	17αethynylestradiol	17αethynylestradiol	NUM
admet-835	535	11	,	,	PUNCT
admet-835	535	12	and	and	CCONJ
admet-835	535	13	bisphenol	bisphenol	NOUN
admet-835	535	14	a.	a.	NOUN
admet-835	535	15	journal	journal	PROPN
admet-835	535	16	of	of	ADP
admet-835	535	17	chemical	chemical	PROPN
admet-835	535	18	&	&	CCONJ
admet-835	535	19	engineering	engineering	PROPN
admet-835	535	20	data	datum	NOUN
admet-835	535	21	,	,	PUNCT
admet-835	535	22	51	51	NUM
admet-835	535	23	(	(	PUNCT
admet-835	535	24	2006	2006	NUM
admet-835	535	25	)	)	PUNCT
admet-835	535	26	879	879	NUM
admet-835	535	27	-	-	SYM
admet-835	535	28	881	881	NUM
admet-835	535	29	.	.	PUNCT
admet-835	536	1	[	[	X
admet-835	536	2	55	55	NUM
admet-835	536	3	]	]	PUNCT
admet-835	536	4	chemistry	chemistry	NOUN
admet-835	536	5	development	development	NOUN
admet-835	536	6	kit	kit	PROPN
admet-835	536	7	cdk	cdk	PROPN
admet-835	536	8	descriptor	descriptor	NOUN
admet-835	536	9	summary	summary	NOUN
admet-835	536	10	,	,	PUNCT
admet-835	536	11	qspr	qspr	NOUN
admet-835	536	12	wiki	wiki	NOUN
admet-835	536	13	(	(	PUNCT
admet-835	536	14	2010	2010	NUM
admet-835	536	15	)	)	PUNCT
admet-835	536	16	.	.	PUNCT
admet-835	537	1	http://wiki.qsprthesaurus.eu/w/cdk.html	http://wiki.qsprthesaurus.eu/w/cdk.html	PROPN
admet-835	537	2	.	.	PUNCT
admet-835	538	1	©	©	PROPN
admet-835	538	2	2020	2020	NUM
admet-835	538	3	by	by	ADP
admet-835	538	4	the	the	DET
admet-835	538	5	authors	author	NOUN
admet-835	538	6	;	;	PUNCT
admet-835	538	7	licensee	licensee	PROPN
admet-835	538	8	iapc	iapc	PROPN
admet-835	538	9	,	,	PUNCT
admet-835	538	10	zagreb	zagreb	PROPN
admet-835	538	11	,	,	PUNCT
admet-835	538	12	croatia	croatia	PROPN
admet-835	538	13	.	.	PUNCT
admet-835	539	1	this	this	DET
admet-835	539	2	article	article	NOUN
admet-835	539	3	is	be	AUX
admet-835	539	4	an	an	DET
admet-835	539	5	open	open	ADJ
admet-835	539	6	-	-	PUNCT
admet-835	539	7	access	access	NOUN
admet-835	539	8	article	article	NOUN
admet-835	539	9	distributed	distribute	VERB
admet-835	539	10	under	under	ADP
admet-835	539	11	the	the	DET
admet-835	539	12	terms	term	NOUN
admet-835	539	13	and	and	CCONJ
admet-835	539	14	conditions	condition	NOUN
admet-835	539	15	of	of	ADP
admet-835	539	16	the	the	DET
admet-835	539	17	creative	creative	ADJ
admet-835	539	18	commons	common	NOUN
admet-835	539	19	attribution	attribution	NOUN
admet-835	539	20	license	license	NOUN
admet-835	539	21	(	(	PUNCT
admet-835	539	22	http://creativecommons.org/licenses/by/3.0/	http://creativecommons.org/licenses/by/3.0/	NOUN
admet-835	539	23	)	)	PUNCT
admet-835	539	24	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	539	25	http://dx.doi.org/10.1186/1758-2946-4-22	http://dx.doi.org/10.1186/1758-2946-4-22	NOUN
admet-835	539	26	http://dx.doi.org/10.1186/1758-2946-4-22	http://dx.doi.org/10.1186/1758-2946-4-22	ADV
admet-835	539	27	http://dx.doi.org/%1f10.5599/admet.766	http://dx.doi.org/%1f10.5599/admet.766	ADV
admet-835	539	28	http://dx.doi.org/%1f10.5599/admet.766	http://dx.doi.org/%1f10.5599/admet.766	ADV
admet-835	539	29	http://dx.doi.org/10.5599/admet.698	http://dx.doi.org/10.5599/admet.698	NOUN
admet-835	539	30	http://dx.doi.org/%1f10.5599/admet.2.1.33	http://dx.doi.org/%1f10.5599/admet.2.1.33	PROPN
admet-835	539	31	http://dx.doi.org/%1f10.5599/admet.2.1.33	http://dx.doi.org/%1f10.5599/admet.2.1.33	PROPN
admet-835	539	32	https://doi.org/10.1021/mp500103r	https://doi.org/10.1021/mp500103r	VERB
admet-835	539	33	https://doi.org/10.1021/ci034243x	https://doi.org/10.1021/ci034243x	ADJ
admet-835	539	34	http://wiki.qspr-thesaurus.eu/w/cdk.html	http://wiki.qspr-thesaurus.eu/w/cdk.html	NUM
admet-835	539	35	http://wiki.qspr-thesaurus.eu/w/cdk.html	http://wiki.qspr-thesaurus.eu/w/cdk.html	NUM
admet-835	539	36	http://creativecommons.org/licenses/by/3.0/	http://creativecommons.org/licenses/by/3.0/	PROPN
admet-835	539	37	john	john	PROPN
admet-835	539	38	b.	b.	PROPN
admet-835	539	39	o.	o.	PROPN
admet-835	539	40	mitchell	mitchell	PROPN
admet-835	539	41	admet	admet	PROPN
admet-835	539	42	&	&	CCONJ
admet-835	539	43	dmpk	dmpk	PROPN
admet-835	539	44	8(3	8(3	NUM
admet-835	539	45	)	)	PUNCT
admet-835	539	46	(	(	PUNCT
admet-835	539	47	2020	2020	NUM
admet-835	539	48	)	)	PUNCT
admet-835	539	49	215	215	NUM
admet-835	539	50	-	-	SYM
admet-835	539	51	250	250	NUM
admet-835	539	52	232	232	NUM
admet-835	539	53	appendix	appendix	NOUN
admet-835	539	54	table	table	NOUN
admet-835	539	55	a1	a1	NOUN
admet-835	539	56	.	.	PROPN
admet-835	540	1	predicted	predict	VERB
admet-835	540	2	and	and	CCONJ
admet-835	540	3	experimental	experimental	ADJ
admet-835	540	4	log	log	NOUN
admet-835	540	5	s	s	NOUN
admet-835	540	6	values	value	NOUN
admet-835	540	7	for	for	ADP
admet-835	540	8	the	the	DET
admet-835	540	9	low	low	ADJ
admet-835	540	10	-	-	PUNCT
admet-835	540	11	variance	variance	NOUN
admet-835	540	12	100	100	NUM
admet-835	540	13	-	-	PUNCT
admet-835	540	14	compound	compound	NOUN
admet-835	540	15	test	test	NOUN
admet-835	540	16	set	set	VERB
admet-835	540	17	.	.	PUNCT
admet-835	541	1	et	et	NOUN
admet-835	541	2	:	:	PUNCT
admet-835	541	3	extra	extra	ADJ
admet-835	541	4	trees	tree	NOUN
admet-835	541	5	prediction	prediction	NOUN
admet-835	541	6	;	;	PUNCT
admet-835	541	7	rf	rf	ADJ
admet-835	541	8	:	:	PUNCT
admet-835	541	9	random	random	ADJ
admet-835	541	10	forest	forest	NOUN
admet-835	541	11	prediction	prediction	NOUN
admet-835	541	12	;	;	PUNCT
admet-835	541	13	bg	bg	NOUN
admet-835	541	14	:	:	PUNCT
admet-835	541	15	bagging	bag	VERB
admet-835	541	16	prediction	prediction	NOUN
admet-835	541	17	;	;	PUNCT
admet-835	541	18	vm	vm	PROPN
admet-835	541	19	:	:	PUNCT
admet-835	541	20	vox	vox	PROPN
admet-835	541	21	machinarum	machinarum	PROPN
admet-835	541	22	prediction	prediction	NOUN
admet-835	541	23	;	;	PUNCT
admet-835	541	24	lit	lit	ADJ
admet-835	541	25	:	:	PUNCT
admet-835	542	1	literature	literature	NOUN
admet-835	542	2	sourced	source	VERB
admet-835	542	3	log	log	PROPN
admet-835	542	4	s	s	PART
admet-835	542	5	;	;	PUNCT
admet-835	542	6	ref	ref	NOUN
admet-835	542	7	:	:	PUNCT
admet-835	542	8	reference	reference	NOUN
admet-835	542	9	for	for	ADP
admet-835	542	10	lit	light	VERB
admet-835	542	11	value	value	NOUN
admet-835	542	12	;	;	PUNCT
admet-835	542	13	av	av	X
admet-835	542	14	:	:	PUNCT
admet-835	542	15	avdeef	avdeef	PROPN
admet-835	542	16	’s	’s	PART
admet-835	542	17	average	average	ADJ
admet-835	542	18	solubility	solubility	NOUN
admet-835	542	19	values	value	NOUN
admet-835	542	20	[	[	X
admet-835	542	21	45	45	NUM
admet-835	542	22	]	]	PUNCT
admet-835	542	23	.	.	PUNCT
admet-835	543	1	compound	compound	NOUN
admet-835	543	2	et	et	PROPN
admet-835	543	3	rf	rf	PROPN
admet-835	543	4	bg	bg	PROPN
admet-835	543	5	vm	vm	PROPN
admet-835	544	1	lt	lt	DET
admet-835	544	2	ref	ref	NOUN
admet-835	544	3	av	av	PROPN
admet-835	544	4	acetazolamide	acetazolamide	PROPN
admet-835	544	5	-2.39	-2.39	PROPN
admet-835	544	6	-2.36	-2.36	X
admet-835	544	7	-2.33	-2.33	NUM
admet-835	544	8	-2.36	-2.36	NUM
admet-835	544	9	-2.44	-2.44	NOUN
admet-835	545	1	[	[	X
admet-835	545	2	23	23	NUM
admet-835	545	3	]	]	X
admet-835	545	4	-2.38	-2.38	X
admet-835	545	5	acetylsalicylic	acetylsalicylic	NOUN
admet-835	545	6	acid	acid	PROPN
admet-835	545	7	-2.21	-2.21	PROPN
admet-835	545	8	-2.20	-2.20	NUM
admet-835	545	9	-2.06	-2.06	PUNCT
admet-835	545	10	-2.20	-2.20	NUM
admet-835	545	11	-1.74	-1.74	NUM
admet-835	545	12	[	[	X
admet-835	545	13	30	30	NUM
admet-835	545	14	]	]	PUNCT
admet-835	545	15	-1.67	-1.67	X
admet-835	545	16	alclofenac	alclofenac	ADJ
admet-835	545	17	-3.20	-3.20	NUM
admet-835	545	18	-3.00	-3.00	NUM
admet-835	545	19	-3.04	-3.04	NOUN
admet-835	545	20	-3.04	-3.04	NOUN
admet-835	545	21	-3.13	-3.13	NOUN
admet-835	545	22	[	[	X
admet-835	545	23	30	30	NUM
admet-835	545	24	]	]	PUNCT
admet-835	545	25	-4.40	-4.40	NOUN
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admet-835	545	28	-3.06	-3.06	NOUN
admet-835	545	29	-3.09	-3.09	NUM
admet-835	545	30	-3.06	-3.06	PROPN
admet-835	545	31	-3.87	-3.87	ADJ
admet-835	545	32	aripiprazole	aripiprazole	NOUN
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admet-835	545	34	-4.99	-4.99	NUM
admet-835	545	35	-5.01	-5.01	NUM
admet-835	545	36	-4.99	-4.99	NUM
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admet-835	545	39	-4.90	-4.90	NUM
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admet-835	545	44	[	[	X
admet-835	545	45	53	53	NUM
admet-835	545	46	]	]	SYM
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admet-835	545	52	-2.53	-2.53	NOUN
admet-835	545	53	-3.49	-3.49	PROPN
admet-835	546	1	[	[	X
admet-835	546	2	47	47	NUM
admet-835	546	3	]	]	SYM
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admet-835	546	6	-2.52	-2.52	NUM
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admet-835	546	8	-2.26	-2.26	NUM
admet-835	546	9	-2.37	-2.37	NUM
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admet-835	547	1	[	[	X
admet-835	547	2	47	47	NUM
admet-835	547	3	]	]	PUNCT
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admet-835	547	10	-2.48	-2.48	NUM
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admet-835	547	12	[	[	X
admet-835	547	13	30	30	NUM
admet-835	547	14	]	]	PUNCT
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admet-835	547	22	[	[	X
admet-835	547	23	25	25	NUM
admet-835	547	24	]	]	PUNCT
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admet-835	549	1	[	[	X
admet-835	549	2	47	47	NUM
admet-835	549	3	]	]	SYM
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admet-835	549	13	]	]	SYM
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admet-835	549	23	]	]	PUNCT
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admet-835	549	43	[	[	X
admet-835	549	44	48	48	NUM
admet-835	549	45	]	]	SYM
admet-835	549	46	-5.89	-5.89	DET
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admet-835	549	48	-2.87	-2.87	VERB
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admet-835	549	50	-2.79	-2.79	PROPN
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admet-835	550	2	48	48	NUM
admet-835	550	3	]	]	PUNCT
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admet-835	551	2	23	23	NUM
admet-835	551	3	]	]	PUNCT
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admet-835	551	7	,	,	PUNCT
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admet-835	551	10	-4.87	-4.87	NUM
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admet-835	551	13	[	[	X
admet-835	551	14	48	48	NUM
admet-835	551	15	]	]	PUNCT
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admet-835	551	20	-3.55	-3.55	NUM
admet-835	551	21	-3.55	-3.55	NUM
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admet-835	552	1	[	[	X
admet-835	552	2	23	23	NUM
admet-835	552	3	]	]	PUNCT
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admet-835	552	9	-3.19	-3.19	NOUN
admet-835	552	10	-3.60	-3.60	NUM
admet-835	553	1	[	[	X
admet-835	553	2	23	23	NUM
admet-835	553	3	]	]	SYM
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admet-835	553	10	-4.70	-4.70	NUM
admet-835	554	1	[	[	X
admet-835	554	2	48	48	NUM
admet-835	554	3	]	]	X
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admet-835	554	8	-2.85	-2.85	NUM
admet-835	554	9	-3.22	-3.22	NUM
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admet-835	554	11	[	[	X
admet-835	554	12	30	30	NUM
admet-835	554	13	]	]	X
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admet-835	554	16	acetate	acetate	PROPN
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admet-835	554	20	-3.09	-3.09	NUM
admet-835	554	21	-4.21	-4.21	INTJ
admet-835	554	22	[	[	X
admet-835	554	23	30	30	NUM
admet-835	554	24	]	]	X
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admet-835	554	26	cyclosporine	cyclosporine	VERB
admet-835	554	27	a	a	DET
admet-835	554	28	-4.81	-4.81	NUM
admet-835	554	29	-4.53	-4.53	NUM
admet-835	554	30	-4.80	-4.80	NOUN
admet-835	554	31	-4.80	-4.80	NOUN
admet-835	555	1	-4.48	-4.48	NUM
admet-835	556	1	[	[	X
admet-835	556	2	48	48	NUM
admet-835	556	3	]	]	PUNCT
admet-835	556	4	-5.03	-5.03	CCONJ
admet-835	556	5	daidzein	daidzein	ADJ
admet-835	556	6	-4.16	-4.16	PROPN
admet-835	556	7	-3.97	-3.97	NOUN
admet-835	556	8	-3.90	-3.90	PROPN
admet-835	556	9	-3.97	-3.97	NUM
admet-835	556	10	-5.23	-5.23	DET
admet-835	556	11	desipramine	desipramine	PROPN
admet-835	556	12	-4.04	-4.04	PROPN
admet-835	556	13	-3.92	-3.92	NUM
admet-835	556	14	-3.93	-3.93	NUM
admet-835	556	15	-3.93	-3.93	INTJ
admet-835	556	16	-3.63	-3.63	NOUN
admet-835	556	17	[	[	X
admet-835	556	18	23	23	NUM
admet-835	556	19	]	]	PUNCT
admet-835	556	20	-3.83	-3.83	PRON
admet-835	556	21	dexamethasone	dexamethasone	NOUN
admet-835	556	22	-3.36	-3.36	PUNCT
admet-835	556	23	-3.14	-3.14	NUM
admet-835	556	24	-2.76	-2.76	NUM
admet-835	556	25	-3.14	-3.14	PRON
admet-835	556	26	-3.59	-3.59	NOUN
admet-835	556	27	[	[	X
admet-835	556	28	30	30	NUM
admet-835	556	29	]	]	PUNCT
admet-835	556	30	-3.56	-3.56	NOUN
admet-835	556	31	diazoxide	diazoxide	NOUN
admet-835	556	32	-2.98	-2.98	NUM
admet-835	556	33	-3.03	-3.03	ADJ
admet-835	556	34	-3.17	-3.17	NUM
admet-835	556	35	-3.03	-3.03	ADJ
admet-835	556	36	-3.36	-3.36	NOUN
admet-835	556	37	[	[	X
admet-835	556	38	23	23	NUM
admet-835	556	39	]	]	PUNCT
admet-835	556	40	-3.43	-3.43	NOUN
admet-835	556	41	diclofenac	diclofenac	NOUN
admet-835	556	42	-5.30	-5.30	PUNCT
admet-835	556	43	-4.91	-4.91	NUM
admet-835	556	44	-4.85	-4.85	X
admet-835	556	45	-4.91	-4.91	NUM
admet-835	556	46	-5.46	-5.46	NUM
admet-835	557	1	[	[	X
admet-835	557	2	23	23	NUM
admet-835	557	3	]	]	SYM
admet-835	557	4	-5.34	-5.34	NOUN
admet-835	557	5	diflorasone	diflorasone	NOUN
admet-835	557	6	diacetate	diacetate	NOUN
admet-835	557	7	-3.69	-3.69	NOUN
admet-835	557	8	-3.37	-3.37	NUM
admet-835	557	9	-3.17	-3.17	NUM
admet-835	557	10	-3.37	-3.37	NUM
admet-835	557	11	-4.88	-4.88	PROPN
admet-835	557	12	[	[	X
admet-835	557	13	48	48	NUM
admet-835	557	14	]	]	PUNCT
admet-835	557	15	-4.82	-4.82	PUNCT
admet-835	557	16	difloxacin	difloxacin	PROPN
admet-835	557	17	-4.13	-4.13	NUM
admet-835	557	18	-5.06	-5.06	NUM
admet-835	557	19	-4.96	-4.96	NUM
admet-835	557	20	-4.96	-4.96	NUM
admet-835	557	21	-3.60	-3.60	NUM
admet-835	558	1	[	[	X
admet-835	558	2	23	23	NUM
admet-835	558	3	]	]	PUNCT
admet-835	558	4	-3.83	-3.83	DET
admet-835	558	5	diltiazem	diltiazem	NOUN
admet-835	558	6	-4.06	-4.06	PUNCT
admet-835	558	7	-3.87	-3.87	NUM
admet-835	558	8	-3.65	-3.65	INTJ
admet-835	558	9	-3.87	-3.87	NUM
admet-835	558	10	-3.16	-3.16	PROPN
admet-835	559	1	[	[	X
admet-835	559	2	23	23	NUM
admet-835	559	3	]	]	PUNCT
admet-835	559	4	-3.02	-3.02	NUM
admet-835	559	5	diphenylamine	diphenylamine	NOUN
admet-835	559	6	-2.70	-2.70	PRON
admet-835	559	7	-2.60	-2.60	NUM
admet-835	559	8	-2.64	-2.64	NUM
admet-835	559	9	-2.64	-2.64	NUM
admet-835	559	10	-3.50	-3.50	PROPN
admet-835	560	1	[	[	X
admet-835	560	2	53	53	NUM
admet-835	560	3	]	]	SYM
admet-835	560	4	-3.53	-3.53	NOUN
admet-835	560	5	dopa	dopa	NOUN
admet-835	560	6	,	,	PUNCT
admet-835	560	7	l-2.27	l-2.27	PROPN
admet-835	560	8	-2.17	-2.17	PROPN
admet-835	560	9	-2.07	-2.07	NUM
admet-835	560	10	-2.17	-2.17	NUM
admet-835	560	11	-1.82	-1.82	NOUN
admet-835	560	12	[	[	X
admet-835	560	13	47	47	NUM
admet-835	560	14	]	]	SYM
admet-835	560	15	-1.76	-1.76	NUM
admet-835	560	16	enalapril	enalapril	PROPN
admet-835	560	17	-2.74	-2.74	NUM
admet-835	560	18	-3.00	-3.00	PROPN
admet-835	560	19	-3.01	-3.01	PROPN
admet-835	560	20	-3.00	-3.00	PROPN
admet-835	560	21	-1.25	-1.25	PROPN
admet-835	560	22	[	[	X
admet-835	560	23	30	30	NUM
admet-835	560	24	]	]	PUNCT
admet-835	560	25	-1.36	-1.36	NUM
admet-835	560	26	estradiol,17α-4.27	estradiol,17α-4.27	NOUN
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admet-835	560	28	-4.53	-4.53	NOUN
admet-835	560	29	-4.29	-4.29	NOUN
admet-835	560	30	-4.84	-4.84	NUM
admet-835	561	1	[	[	X
admet-835	561	2	48	48	NUM
admet-835	561	3	]	]	SYM
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admet-835	561	5	estrone	estrone	NOUN
admet-835	561	6	-4.61	-4.61	NOUN
admet-835	561	7	-4.14	-4.14	PUNCT
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admet-835	561	9	-4.14	-4.14	PRON
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admet-835	561	11	[	[	X
admet-835	561	12	54	54	NUM
admet-835	561	13	]	]	PUNCT
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admet-835	561	16	-2.95	-2.95	VERB
admet-835	561	17	-2.80	-2.80	X
admet-835	561	18	-2.88	-2.88	X
admet-835	561	19	-2.88	-2.88	NOUN
admet-835	561	20	-4.40	-4.40	NUM
admet-835	562	1	[	[	X
admet-835	562	2	48	48	NUM
admet-835	562	3	]	]	SYM
admet-835	562	4	-3.76	-3.76	PROPN
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admet-835	562	6	-4.06	-4.06	X
admet-835	562	7	-3.65	-3.65	ADP
admet-835	562	8	-3.03	-3.03	PROPN
admet-835	562	9	-3.65	-3.65	NUM
admet-835	562	10	-3.57	-3.57	NUM
admet-835	562	11	[	[	X
admet-835	562	12	53	53	NUM
admet-835	562	13	]	]	SYM
admet-835	562	14	-3.60	-3.60	NUM
admet-835	562	15	eucalyptol	eucalyptol	NOUN
admet-835	562	16	-1.88	-1.88	NUM
admet-835	562	17	-2.25	-2.25	NUM
admet-835	562	18	-2.71	-2.71	NUM
admet-835	562	19	-2.25	-2.25	NOUN
admet-835	562	20	-1.64	-1.64	NOUN
admet-835	563	1	[	[	X
admet-835	563	2	53	53	NUM
admet-835	563	3	]	]	PUNCT
admet-835	563	4	-1.66	-1.66	NUM
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admet-835	563	6	-3.53	-3.53	NOUN
admet-835	563	7	-3.56	-3.56	NOUN
admet-835	563	8	-3.54	-3.54	X
admet-835	563	9	-3.54	-3.54	NUM
admet-835	563	10	-5.26	-5.26	NUM
admet-835	564	1	[	[	X
admet-835	564	2	30	30	NUM
admet-835	564	3	]	]	X
admet-835	564	4	-5.18	-5.18	PUNCT
admet-835	564	5	flumequine	flumequine	NOUN
admet-835	564	6	-3.78	-3.78	PROPN
admet-835	564	7	-3.55	-3.55	PROPN
admet-835	564	8	-3.61	-3.61	NOUN
admet-835	564	9	-3.61	-3.61	NOUN
admet-835	564	10	-3.73	-3.73	NOUN
admet-835	564	11	[	[	X
admet-835	564	12	23	23	NUM
admet-835	564	13	]	]	PUNCT
admet-835	564	14	-3.90	-3.90	PROPN
admet-835	564	15	flurbiprofen	flurbiprofen	PROPN
admet-835	564	16	-4.16	-4.16	PROPN
admet-835	564	17	-4.13	-4.13	PROPN
admet-835	564	18	-4.28	-4.28	PROPN
admet-835	564	19	-4.16	-4.16	PROPN
admet-835	564	20	-4.15	-4.15	PROPN
admet-835	565	1	[	[	X
admet-835	565	2	23	23	NUM
admet-835	565	3	]	]	SYM
admet-835	565	4	-4.34	-4.34	PRON
admet-835	565	5	admet	admet	NOUN
admet-835	565	6	&	&	CCONJ
admet-835	565	7	dmpk	dmpk	PROPN
admet-835	565	8	8(3	8(3	NUM
admet-835	565	9	)	)	PUNCT
admet-835	565	10	(	(	PUNCT
admet-835	565	11	2020	2020	NUM
admet-835	565	12	)	)	PUNCT
admet-835	565	13	215	215	NUM
admet-835	565	14	-	-	SYM
admet-835	565	15	250	250	NUM
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admet-835	565	17	learning	learning	NOUN
admet-835	565	18	models	model	NOUN
admet-835	565	19	for	for	ADP
admet-835	565	20	the	the	DET
admet-835	565	21	2019	2019	NUM
admet-835	565	22	solubility	solubility	NOUN
admet-835	565	23	challenge	challenge	NOUN
admet-835	565	24	doi	doi	NOUN
admet-835	565	25	:	:	PUNCT
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admet-835	565	27	233	233	NUM
admet-835	565	28	compound	compound	NOUN
admet-835	565	29	et	et	NOUN
admet-835	565	30	rf	rf	PROPN
admet-835	565	31	bg	bg	PROPN
admet-835	565	32	vm	vm	PROPN
admet-835	566	1	lt	lt	DET
admet-835	566	2	ref	ref	NOUN
admet-835	566	3	av	av	PROPN
admet-835	566	4	folic	folic	NOUN
admet-835	566	5	acid	acid	NOUN
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admet-835	566	9	-3.08	-3.08	NUM
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admet-835	567	1	[	[	X
admet-835	567	2	25	25	NUM
admet-835	567	3	]	]	PUNCT
admet-835	567	4	-5.96	-5.96	NOUN
admet-835	568	1	ganciclovir	ganciclovir	PROPN
admet-835	568	2	-2.81	-2.81	NUM
admet-835	568	3	-2.75	-2.75	NUM
admet-835	568	4	-2.89	-2.89	INTJ
admet-835	568	5	-2.81	-2.81	NUM
admet-835	568	6	-1.85	-1.85	NUM
admet-835	569	1	[	[	X
admet-835	569	2	48	48	NUM
admet-835	569	3	]	]	PUNCT
admet-835	569	4	-1.78	-1.78	AUX
admet-835	569	5	glipizide	glipizide	VERB
admet-835	569	6	-3.78	-3.78	PRON
admet-835	570	1	-3.67	-3.67	NOUN
admet-835	570	2	-3.69	-3.69	NOUN
admet-835	570	3	-3.69	-3.69	NUM
admet-835	570	4	-5.49	-5.49	NOUN
admet-835	570	5	[	[	X
admet-835	570	6	23	23	NUM
admet-835	570	7	]	]	SYM
admet-835	570	8	-5.61	-5.61	NUM
admet-835	570	9	griseofulvin	griseofulvin	NOUN
admet-835	570	10	-3.34	-3.34	NOUN
admet-835	570	11	-3.05	-3.05	X
admet-835	570	12	-3.07	-3.07	NOUN
admet-835	570	13	-3.07	-3.07	NOUN
admet-835	570	14	-3.25	-3.25	NUM
admet-835	571	1	[	[	X
admet-835	571	2	47	47	NUM
admet-835	571	3	]	]	PUNCT
admet-835	571	4	-4.52	-4.52	NOUN
admet-835	571	5	haloperidol	haloperidol	PROPN
admet-835	571	6	-4.02	-4.02	NUM
admet-835	571	7	-3.93	-3.93	NUM
admet-835	571	8	-4.17	-4.17	NOUN
admet-835	571	9	-4.02	-4.02	NUM
admet-835	571	10	-4.43	-4.43	NUM
admet-835	572	1	[	[	X
admet-835	572	2	47	47	NUM
admet-835	572	3	]	]	X
admet-835	572	4	-5.71	-5.71	X
admet-835	572	5	ibrutinib	ibrutinib	PROPN
admet-835	572	6	-4.96	-4.96	PROPN
admet-835	572	7	-4.75	-4.75	PROPN
admet-835	572	8	-4.73	-4.73	PROPN
admet-835	572	9	-4.75	-4.75	PROPN
admet-835	572	10	-4.85	-4.85	PROPN
admet-835	572	11	indinavir	indinavir	PROPN
admet-835	572	12	-5.49	-5.49	NUM
admet-835	572	13	-4.66	-4.66	NUM
admet-835	572	14	-4.07	-4.07	NUM
admet-835	572	15	-4.66	-4.66	PRON
admet-835	572	16	-3.94	-3.94	NOUN
admet-835	572	17	[	[	X
admet-835	572	18	48	48	NUM
admet-835	572	19	]	]	SYM
admet-835	572	20	-4.53	-4.53	NOUN
admet-835	572	21	indomethacin	indomethacin	VERB
admet-835	572	22	-4.60	-4.60	PROPN
admet-835	572	23	-4.75	-4.75	NUM
admet-835	572	24	-4.44	-4.44	NUM
admet-835	572	25	-4.60	-4.60	PROPN
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admet-835	572	27	[	[	X
admet-835	572	28	51	51	NUM
admet-835	572	29	]	]	PUNCT
admet-835	572	30	-5.48	-5.48	PROPN
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admet-835	572	32	-3.97	-3.97	NOUN
admet-835	572	33	-3.98	-3.98	NUM
admet-835	572	34	-3.88	-3.88	NUM
admet-835	572	35	-3.97	-3.97	NOUN
admet-835	572	36	-4.82	-4.82	X
admet-835	572	37	[	[	X
admet-835	572	38	30	30	NUM
admet-835	572	39	]	]	PUNCT
admet-835	572	40	-4.65	-4.65	NUM
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admet-835	572	42	-5.05	-5.05	NOUN
admet-835	572	43	-4.93	-4.93	NUM
admet-835	572	44	-5.05	-5.05	NOUN
admet-835	572	45	-5.05	-5.05	NOUN
admet-835	572	46	-3.80	-3.80	NOUN
admet-835	573	1	[	[	X
admet-835	573	2	30	30	NUM
admet-835	573	3	]	]	SYM
admet-835	573	4	-5.47	-5.47	X
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admet-835	573	7	-4.90	-4.90	NOUN
admet-835	573	8	-5.25	-5.25	NOUN
admet-835	573	9	-4.90	-4.90	NOUN
admet-835	573	10	-4.69	-4.69	NOUN
admet-835	574	1	[	[	X
admet-835	574	2	23	23	NUM
admet-835	574	3	]	]	PUNCT
admet-835	574	4	-4.62	-4.62	ADP
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admet-835	574	7	-3.93	-3.93	NUM
admet-835	574	8	-3.87	-3.87	NUM
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admet-835	576	1	[	[	X
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admet-835	576	3	]	]	PUNCT
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admet-835	576	5	nabumetone	nabumetone	NOUN
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admet-835	577	5	-4.58	-4.58	NUM
admet-835	577	6	[	[	X
admet-835	577	7	48	48	NUM
admet-835	577	8	]	]	PUNCT
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admet-835	578	5	-3.53	-3.53	NOUN
admet-835	578	6	-4.50	-4.50	PROPN
admet-835	579	1	[	[	X
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admet-835	579	3	]	]	SYM
admet-835	579	4	-4.23	-4.23	VERB
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admet-835	581	1	[	[	X
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admet-835	581	3	]	]	SYM
admet-835	581	4	-6.21	-6.21	X
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admet-835	581	9	-3.68	-3.68	NUM
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admet-835	582	3	]	]	PUNCT
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admet-835	582	9	-3.63	-3.63	INTJ
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admet-835	583	1	[	[	X
admet-835	583	2	53	53	NUM
admet-835	583	3	]	]	SYM
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admet-835	583	9	-3.77	-3.77	INTJ
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admet-835	584	1	[	[	NOUN
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admet-835	584	3	]	]	PUNCT
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admet-835	586	1	-3.28	-3.28	NUM
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admet-835	588	1	-3.28	-3.28	NUM
admet-835	589	1	-2.76	-2.76	NUM
admet-835	590	1	[	[	X
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admet-835	590	3	]	]	PUNCT
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admet-835	591	3	]	]	SYM
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admet-835	591	8	-4.02	-4.02	NUM
admet-835	591	9	-4.05	-4.05	NOUN
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admet-835	591	13	]	]	SYM
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admet-835	592	3	]	]	PUNCT
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admet-835	592	9	-3.84	-3.84	NUM
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admet-835	593	1	[	[	X
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admet-835	593	3	]	]	PUNCT
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admet-835	593	9	-3.47	-3.47	NUM
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admet-835	593	13	]	]	SYM
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admet-835	593	19	-4.32	-4.32	NUM
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admet-835	594	1	[	[	X
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admet-835	594	3	]	]	X
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admet-835	595	3	]	]	SYM
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admet-835	595	9	-2.02	-2.02	NUM
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admet-835	596	1	[	[	X
admet-835	596	2	47	47	NUM
admet-835	596	3	]	]	PUNCT
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admet-835	596	8	-3.07	-3.07	NUM
admet-835	596	9	-3.08	-3.08	NUM
admet-835	596	10	-4.19	-4.19	NUM
admet-835	596	11	[	[	X
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admet-835	596	13	]	]	X
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admet-835	596	19	-2.74	-2.74	NUM
admet-835	596	20	-3.79	-3.79	NUM
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admet-835	596	22	23	23	NUM
admet-835	596	23	]	]	PUNCT
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admet-835	597	15	[	[	X
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admet-835	597	17	]	]	SYM
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admet-835	597	27	]	]	PUNCT
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admet-835	598	1	[	[	X
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admet-835	598	3	]	]	X
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admet-835	598	13	]	]	PUNCT
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admet-835	599	3	]	]	SYM
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admet-835	603	7	]	]	SYM
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admet-835	603	17	]	]	SYM
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admet-835	606	16	2020	2020	NUM
admet-835	606	17	)	)	PUNCT
admet-835	606	18	215	215	NUM
admet-835	606	19	-	-	SYM
admet-835	606	20	250	250	NUM
admet-835	606	21	234	234	NUM
admet-835	606	22	compound	compound	NOUN
admet-835	606	23	et	et	NOUN
admet-835	606	24	rf	rf	PROPN
admet-835	606	25	bg	bg	PROPN
admet-835	606	26	vm	vm	PROPN
admet-835	607	1	lt	lt	DET
admet-835	607	2	ref	ref	PROPN
admet-835	607	3	av	av	PROPN
admet-835	607	4	xanthine	xanthine	PROPN
admet-835	607	5	-3.39	-3.39	PROPN
admet-835	607	6	-2.90	-2.90	NUM
admet-835	607	7	-2.50	-2.50	NUM
admet-835	607	8	-2.90	-2.90	DET
admet-835	607	9	-3.61	-3.61	NOUN
admet-835	607	10	[	[	X
admet-835	607	11	48	48	NUM
admet-835	607	12	]	]	SYM
admet-835	607	13	-3.60	-3.60	NUM
admet-835	607	14	admet	admet	PROPN
admet-835	607	15	&	&	CCONJ
admet-835	607	16	dmpk	dmpk	PROPN
admet-835	607	17	8(3	8(3	NUM
admet-835	607	18	)	)	PUNCT
admet-835	607	19	(	(	PUNCT
admet-835	607	20	2020	2020	NUM
admet-835	607	21	)	)	PUNCT
admet-835	607	22	215	215	NUM
admet-835	607	23	-	-	SYM
admet-835	607	24	250	250	NUM
admet-835	607	25	machine	machine	NOUN
admet-835	607	26	learning	learning	NOUN
admet-835	607	27	models	model	NOUN
admet-835	607	28	for	for	ADP
admet-835	607	29	the	the	DET
admet-835	607	30	2019	2019	NUM
admet-835	607	31	solubility	solubility	NOUN
admet-835	607	32	challenge	challenge	NOUN
admet-835	607	33	doi	doi	NOUN
admet-835	607	34	:	:	PUNCT
admet-835	607	35	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	607	36	235	235	NUM
admet-835	607	37	table	table	NOUN
admet-835	607	38	a2	a2	PROPN
admet-835	607	39	.	.	PROPN
admet-835	608	1	predicted	predict	VERB
admet-835	608	2	and	and	CCONJ
admet-835	608	3	experimental	experimental	ADJ
admet-835	608	4	log	log	NOUN
admet-835	608	5	s	s	NOUN
admet-835	608	6	values	value	NOUN
admet-835	608	7	for	for	ADP
admet-835	608	8	the	the	DET
admet-835	608	9	high	high	ADJ
admet-835	608	10	-	-	PUNCT
admet-835	608	11	variance	variance	NOUN
admet-835	608	12	32	32	NUM
admet-835	608	13	-	-	PUNCT
admet-835	608	14	compound	compound	NOUN
admet-835	608	15	test	test	NOUN
admet-835	608	16	set	set	VERB
admet-835	608	17	.	.	PUNCT
admet-835	609	1	et	et	NOUN
admet-835	609	2	:	:	PUNCT
admet-835	609	3	extra	extra	ADJ
admet-835	609	4	trees	tree	NOUN
admet-835	609	5	prediction	prediction	NOUN
admet-835	609	6	;	;	PUNCT
admet-835	609	7	rf	rf	ADJ
admet-835	609	8	:	:	PUNCT
admet-835	609	9	random	random	ADJ
admet-835	609	10	forest	forest	NOUN
admet-835	609	11	prediction	prediction	NOUN
admet-835	609	12	;	;	PUNCT
admet-835	609	13	bg	bg	NOUN
admet-835	609	14	:	:	PUNCT
admet-835	609	15	bagging	bag	VERB
admet-835	609	16	prediction	prediction	NOUN
admet-835	609	17	;	;	PUNCT
admet-835	609	18	vm	vm	PROPN
admet-835	609	19	:	:	PUNCT
admet-835	609	20	vox	vox	PROPN
admet-835	609	21	machinarum	machinarum	PROPN
admet-835	609	22	prediction	prediction	NOUN
admet-835	609	23	;	;	PUNCT
admet-835	609	24	lit	lit	ADJ
admet-835	609	25	:	:	PUNCT
admet-835	610	1	literature	literature	NOUN
admet-835	610	2	sourced	source	VERB
admet-835	610	3	log	log	PROPN
admet-835	610	4	s	s	PART
admet-835	610	5	;	;	PUNCT
admet-835	610	6	ref	ref	NOUN
admet-835	610	7	:	:	PUNCT
admet-835	610	8	reference	reference	NOUN
admet-835	610	9	for	for	ADP
admet-835	610	10	lit	light	VERB
admet-835	610	11	value	value	NOUN
admet-835	610	12	;	;	PUNCT
admet-835	610	13	av	av	X
admet-835	610	14	:	:	PUNCT
admet-835	610	15	avdeef	avdeef	PROPN
admet-835	610	16	’s	’s	PART
admet-835	610	17	average	average	ADJ
admet-835	610	18	solubility	solubility	NOUN
admet-835	610	19	values	value	NOUN
admet-835	610	20	[	[	X
admet-835	610	21	45	45	NUM
admet-835	610	22	]	]	PUNCT
admet-835	610	23	compound	compound	NOUN
admet-835	610	24	et	et	PROPN
admet-835	610	25	rf	rf	PROPN
admet-835	610	26	bg	bg	PROPN
admet-835	610	27	vm	vm	PROPN
admet-835	611	1	lt	lt	DET
admet-835	611	2	ref	ref	NOUN
admet-835	611	3	av	av	PROPN
admet-835	611	4	amantadine	amantadine	NOUN
admet-835	611	5	-2.17	-2.17	NUM
admet-835	611	6	-2.54	-2.54	NOUN
admet-835	611	7	-3.04	-3.04	NUM
admet-835	611	8	-2.54	-2.54	NOUN
admet-835	611	9	-1.85	-1.85	NUM
admet-835	612	1	[	[	X
admet-835	612	2	23	23	NUM
admet-835	612	3	]	]	PUNCT
admet-835	612	4	-2.19	-2.19	CCONJ
admet-835	612	5	amiodarone	amiodarone	PROPN
admet-835	612	6	-5.09	-5.09	VERB
admet-835	612	7	-5.60	-5.60	NUM
admet-835	613	1	-5.80	-5.80	NOUN
admet-835	614	1	-5.60	-5.60	NUM
admet-835	614	2	-8.17	-8.17	NOUN
admet-835	615	1	[	[	X
admet-835	615	2	23	23	NUM
admet-835	615	3	]	]	PUNCT
admet-835	615	4	-10.40	-10.40	X
admet-835	615	5	amodiaquine	amodiaquine	PROPN
admet-835	615	6	-4.62	-4.62	ADP
admet-835	615	7	-4.90	-4.90	NUM
admet-835	615	8	-4.88	-4.88	NUM
admet-835	615	9	-4.88	-4.88	NUM
admet-835	615	10	-5.79	-5.79	NOUN
admet-835	616	1	[	[	X
admet-835	616	2	23	23	NUM
admet-835	616	3	]	]	SYM
admet-835	616	4	-5.49	-5.49	X
admet-835	616	5	bisoprolol	bisoprolol	PROPN
admet-835	616	6	-1.86	-1.86	NOUN
admet-835	616	7	-2.09	-2.09	NUM
admet-835	616	8	-2.30	-2.30	NUM
admet-835	616	9	-2.09	-2.09	NUM
admet-835	616	10	-7.77	-7.77	NUM
admet-835	617	1	[	[	X
admet-835	617	2	48	48	NUM
admet-835	617	3	]	]	PUNCT
admet-835	617	4	-2.09	-2.09	NUM
admet-835	617	5	bromocriptine	bromocriptine	NOUN
admet-835	617	6	-4.96	-4.96	ADP
admet-835	617	7	-4.65	-4.65	NOUN
admet-835	618	1	-4.50	-4.50	PRON
admet-835	618	2	-4.65	-4.65	INTJ
admet-835	618	3	-5.50	-5.50	NUM
admet-835	619	1	[	[	X
admet-835	619	2	48	48	NUM
admet-835	619	3	]	]	PUNCT
admet-835	619	4	-5.50	-5.50	NUM
admet-835	619	5	buprenorphine	buprenorphine	NOUN
admet-835	619	6	-4.51	-4.51	NUM
admet-835	619	7	-4.29	-4.29	NUM
admet-835	619	8	-3.92	-3.92	NUM
admet-835	619	9	-4.29	-4.29	NUM
admet-835	619	10	-4.37	-4.37	PRON
admet-835	619	11	[	[	X
admet-835	619	12	30	30	NUM
admet-835	619	13	]	]	X
admet-835	619	14	-6.07	-6.07	NUM
admet-835	619	15	chlorprothixene	chlorprothixene	PROPN
admet-835	619	16	-5.09	-5.09	VERB
admet-835	619	17	-5.32	-5.32	PUNCT
admet-835	619	18	-5.63	-5.63	NUM
admet-835	619	19	-5.32	-5.32	NUM
admet-835	619	20	-6.75	-6.75	NUM
admet-835	620	1	[	[	X
admet-835	620	2	23	23	NUM
admet-835	620	3	]	]	SYM
admet-835	620	4	-5.99	-5.99	ADP
admet-835	620	5	clofazimine	clofazimine	ADJ
admet-835	620	6	-6.88	-6.88	NUM
admet-835	620	7	-6.61	-6.61	NOUN
admet-835	620	8	-5.95	-5.95	NUM
admet-835	620	9	-6.61	-6.61	NOUN
admet-835	620	10	-5.80	-5.80	NOUN
admet-835	620	11	[	[	X
admet-835	620	12	47	47	NUM
admet-835	620	13	]	]	SYM
admet-835	620	14	-9.05	-9.05	NOUN
admet-835	620	15	curcumin	curcumin	X
admet-835	620	16	-3.85	-3.85	NUM
admet-835	620	17	-3.59	-3.59	PROPN
admet-835	620	18	-3.68	-3.68	NUM
admet-835	620	19	-3.68	-3.68	NUM
admet-835	620	20	-5.36	-5.36	NOUN
admet-835	620	21	danazol	danazol	VERB
admet-835	620	22	-4.37	-4.37	NUM
admet-835	620	23	-4.38	-4.38	NOUN
admet-835	620	24	-4.64	-4.64	NUM
admet-835	620	25	-4.38	-4.38	NOUN
admet-835	620	26	-5.51	-5.51	NUM
admet-835	621	1	[	[	X
admet-835	621	2	53	53	NUM
admet-835	621	3	]	]	PUNCT
admet-835	621	4	-6.10	-6.10	NOUN
admet-835	621	5	didanosine	didanosine	X
admet-835	621	6	-2.81	-2.81	NUM
admet-835	621	7	-2.71	-2.71	NUM
admet-835	621	8	-2.78	-2.78	NOUN
admet-835	621	9	-2.78	-2.78	NOUN
admet-835	621	10	-0.94	-0.94	NOUN
admet-835	621	11	[	[	X
admet-835	621	12	47	47	NUM
admet-835	621	13	]	]	PUNCT
admet-835	621	14	-1.24	-1.24	NOUN
admet-835	621	15	diflunisal	diflunisal	NOUN
admet-835	621	16	-4.55	-4.55	NOUN
admet-835	621	17	-4.33	-4.33	PUNCT
admet-835	621	18	-4.44	-4.44	NUM
admet-835	621	19	-4.44	-4.44	NUM
admet-835	621	20	-5.94	-5.94	NUM
admet-835	621	21	[	[	X
admet-835	621	22	25	25	NUM
admet-835	621	23	]	]	PUNCT
admet-835	621	24	-4.99	-4.99	NUM
admet-835	621	25	diphenhydramine	diphenhydramine	NOUN
admet-835	621	26	-3.39	-3.39	NUM
admet-835	621	27	-3.20	-3.20	NUM
admet-835	621	28	-3.12	-3.12	NUM
admet-835	621	29	-3.20	-3.20	NUM
admet-835	621	30	-2.95	-2.95	NUM
admet-835	621	31	[	[	X
admet-835	621	32	23	23	NUM
admet-835	621	33	]	]	SYM
admet-835	621	34	-3.21	-3.21	NOUN
admet-835	621	35	etoxadrol	etoxadrol	NOUN
admet-835	621	36	-2.81	-2.81	X
admet-835	621	37	-2.99	-2.99	NUM
admet-835	621	38	-3.01	-3.01	PROPN
admet-835	621	39	-2.99	-2.99	NUM
admet-835	621	40	-2.60	-2.60	NUM
admet-835	622	1	[	[	X
admet-835	622	2	48	48	NUM
admet-835	622	3	]	]	SYM
admet-835	622	4	-1.96	-1.96	NUM
admet-835	622	5	ezetimibe	ezetimibe	PROPN
admet-835	622	6	-5.40	-5.40	PRON
admet-835	622	7	-5.60	-5.60	NUM
admet-835	622	8	-5.33	-5.33	NUM
admet-835	622	9	-5.40	-5.40	PROPN
admet-835	622	10	-4.94	-4.94	NUM
admet-835	622	11	fentiazac	fentiazac	NOUN
admet-835	622	12	-5.06	-5.06	PROPN
admet-835	622	13	-5.15	-5.15	NUM
admet-835	622	14	-5.04	-5.04	NOUN
admet-835	622	15	-5.06	-5.06	PUNCT
admet-835	622	16	-4.02	-4.02	NUM
admet-835	623	1	[	[	X
admet-835	623	2	48	48	NUM
admet-835	623	3	]	]	SYM
admet-835	623	4	-5.84	-5.84	NUM
admet-835	623	5	iopanoic	iopanoic	PROPN
admet-835	623	6	acid	acid	PROPN
admet-835	623	7	-3.88	-3.88	VERB
admet-835	623	8	-4.07	-4.07	NOUN
admet-835	623	9	-4.47	-4.47	X
admet-835	623	10	-4.07	-4.07	NOUN
admet-835	623	11	-5.48	-5.48	PROPN
admet-835	624	1	[	[	X
admet-835	624	2	47	47	NUM
admet-835	624	3	]	]	SYM
admet-835	624	4	-5.49	-5.49	NOUN
admet-835	624	5	itraconazole	itraconazole	PROPN
admet-835	624	6	-6.34	-6.34	VERB
admet-835	624	7	-6.39	-6.39	NUM
admet-835	624	8	-5.90	-5.90	INTJ
admet-835	624	9	-6.34	-6.34	NOUN
admet-835	625	1	-8.98	-8.98	NOUN
admet-835	625	2	miconazole	miconazole	NOUN
admet-835	625	3	-5.07	-5.07	NUM
admet-835	625	4	-5.33	-5.33	PROPN
admet-835	625	5	-5.63	-5.63	NUM
admet-835	625	6	-5.33	-5.33	NUM
admet-835	625	7	-5.07	-5.07	NOUN
admet-835	626	1	[	[	X
admet-835	626	2	23	23	NUM
admet-835	626	3	]	]	PUNCT
admet-835	626	4	-5.82	-5.82	AUX
admet-835	626	5	mifepristone	mifepristone	NOUN
admet-835	626	6	-5.03	-5.03	ADJ
admet-835	626	7	-5.35	-5.35	NOUN
admet-835	627	1	-5.30	-5.30	INTJ
admet-835	628	1	-5.30	-5.30	INTJ
admet-835	628	2	-5.90	-5.90	PROPN
admet-835	629	1	[	[	X
admet-835	629	2	50	50	NUM
admet-835	629	3	]	]	PUNCT
admet-835	629	4	-5.22	-5.22	PRON
admet-835	629	5	omeprazole	omeprazole	NOUN
admet-835	629	6	-3.62	-3.62	NUM
admet-835	629	7	-3.31	-3.31	NUM
admet-835	629	8	-3.08	-3.08	NUM
admet-835	629	9	-3.31	-3.31	NOUN
admet-835	629	10	-3.42	-3.42	NUM
admet-835	629	11	[	[	X
admet-835	629	12	30	30	NUM
admet-835	629	13	]	]	PUNCT
admet-835	629	14	-3.70	-3.70	NUM
admet-835	629	15	pioglitazone	pioglitazone	NOUN
admet-835	629	16	-3.65	-3.65	PRON
admet-835	629	17	-3.54	-3.54	NOUN
admet-835	629	18	-3.62	-3.62	NUM
admet-835	629	19	-3.62	-3.62	NUM
admet-835	629	20	-6.20	-6.20	NOUN
admet-835	629	21	procaine	procaine	NOUN
admet-835	629	22	-2.86	-2.86	NOUN
admet-835	629	23	-2.59	-2.59	NUM
admet-835	629	24	-2.35	-2.35	NOUN
admet-835	629	25	-2.59	-2.59	NOUN
admet-835	629	26	-1.72	-1.72	NOUN
admet-835	630	1	[	[	X
admet-835	630	2	23	23	NUM
admet-835	630	3	]	]	PUNCT
admet-835	630	4	-2.30	-2.30	PROPN
admet-835	630	5	quinine	quinine	PROPN
admet-835	631	1	-2.85	-2.85	NUM
admet-835	631	2	-3.10	-3.10	NOUN
admet-835	631	3	-3.29	-3.29	NUM
admet-835	631	4	-3.10	-3.10	NOUN
admet-835	631	5	-2.79	-2.79	NOUN
admet-835	631	6	[	[	X
admet-835	631	7	23	23	NUM
admet-835	631	8	]	]	SYM
admet-835	631	9	-3.06	-3.06	NOUN
admet-835	631	10	raloxifene	raloxifene	VERB
admet-835	631	11	-6.56	-6.56	NUM
admet-835	631	12	-6.50	-6.50	PROPN
admet-835	631	13	-6.17	-6.17	NOUN
admet-835	631	14	-6.50	-6.50	PROPN
admet-835	631	15	-6.82	-6.82	NUM
admet-835	631	16	rifabutin	rifabutin	NOUN
admet-835	631	17	-5.09	-5.09	NUM
admet-835	631	18	-4.82	-4.82	NOUN
admet-835	631	19	-4.61	-4.61	NOUN
admet-835	631	20	-4.82	-4.82	NUM
admet-835	631	21	-3.65	-3.65	PROPN
admet-835	632	1	[	[	X
admet-835	632	2	48	48	NUM
admet-835	632	3	]	]	SYM
admet-835	632	4	-4.09	-4.09	PROPN
admet-835	632	5	saquinavir	saquinavir	PROPN
admet-835	633	1	-4.94	-4.94	NUM
admet-835	633	2	-4.49	-4.49	NUM
admet-835	633	3	-4.29	-4.29	NUM
admet-835	633	4	-4.49	-4.49	NUM
admet-835	633	5	-4.27	-4.27	NOUN
admet-835	634	1	[	[	X
admet-835	634	2	48	48	NUM
admet-835	634	3	]	]	PUNCT
admet-835	634	4	-5.92	-5.92	NUM
admet-835	634	5	sulfadimethoxine	sulfadimethoxine	NOUN
admet-835	634	6	-3.09	-3.09	PROPN
admet-835	634	7	-3.00	-3.00	PROPN
admet-835	634	8	-2.96	-2.96	PROPN
admet-835	634	9	-3.00	-3.00	NUM
admet-835	634	10	-3.83	-3.83	PROPN
admet-835	635	1	[	[	X
admet-835	635	2	48	48	NUM
admet-835	635	3	]	]	PUNCT
admet-835	635	4	-3.74	-3.74	NUM
admet-835	635	5	tamoxifen	tamoxifen	NOUN
admet-835	635	6	-5.73	-5.73	PUNCT
admet-835	635	7	-5.79	-5.79	NOUN
admet-835	635	8	-5.79	-5.79	NOUN
admet-835	635	9	-5.79	-5.79	NOUN
admet-835	635	10	-8.49	-8.49	NUM
admet-835	635	11	[	[	X
admet-835	635	12	31	31	NUM
admet-835	635	13	]	]	PUNCT
admet-835	635	14	-7.52	-7.52	NOUN
admet-835	635	15	telmisartan	telmisartan	NOUN
admet-835	635	16	-6.73	-6.73	NUM
admet-835	635	17	-6.82	-6.82	NUM
admet-835	635	18	-6.17	-6.17	NOUN
admet-835	635	19	-6.73	-6.73	NUM
admet-835	635	20	-6.73	-6.73	NOUN
admet-835	635	21	terfenadine	terfenadine	X
admet-835	635	22	-6.23	-6.23	X
admet-835	635	23	-6.02	-6.02	INTJ
admet-835	635	24	-5.90	-5.90	INTJ
admet-835	635	25	-6.02	-6.02	NUM
admet-835	635	26	-7.74	-7.74	NUM
admet-835	635	27	[	[	X
admet-835	635	28	25	25	NUM
admet-835	635	29	]	]	PUNCT
admet-835	635	30	-7.74	-7.74	NUM
admet-835	635	31	thiabendazole	thiabendazole	NOUN
admet-835	635	32	-2.59	-2.59	NUM
admet-835	635	33	-2.73	-2.73	NUM
admet-835	635	34	-2.86	-2.86	NOUN
admet-835	635	35	-2.73	-2.73	NUM
admet-835	635	36	-3.48	-3.48	NUM
admet-835	635	37	[	[	X
admet-835	635	38	25	25	NUM
admet-835	635	39	]	]	SYM
admet-835	635	40	-3.97	-3.97	NOUN
admet-835	635	41	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	PROPN
admet-835	635	42	john	john	PROPN
admet-835	635	43	b.	b.	PROPN
admet-835	635	44	o.	o.	PROPN
admet-835	635	45	mitchell	mitchell	PROPN
admet-835	635	46	admet	admet	PROPN
admet-835	635	47	&	&	CCONJ
admet-835	635	48	dmpk	dmpk	PROPN
admet-835	635	49	8(3	8(3	NUM
admet-835	635	50	)	)	PUNCT
admet-835	635	51	(	(	PUNCT
admet-835	635	52	2020	2020	NUM
admet-835	635	53	)	)	PUNCT
admet-835	635	54	215	215	NUM
admet-835	635	55	-	-	SYM
admet-835	635	56	250	250	NUM
admet-835	635	57	236	236	NUM
admet-835	635	58	table	table	NOUN
admet-835	635	59	a3	a3	NOUN
admet-835	635	60	.	.	PUNCT
admet-835	636	1	measures	measure	NOUN
admet-835	636	2	of	of	ADP
admet-835	636	3	descriptor	descriptor	NOUN
admet-835	636	4	importance	importance	NOUN
admet-835	636	5	.	.	PUNCT
admet-835	637	1	the	the	DET
admet-835	637	2	randomforest	randomfor	ADJ
admet-835	637	3	package	package	NOUN
admet-835	637	4	[	[	X
admet-835	637	5	37	37	NUM
admet-835	637	6	]	]	PUNCT
admet-835	637	7	was	be	AUX
admet-835	637	8	used	use	VERB
admet-835	637	9	to	to	PART
admet-835	637	10	measure	measure	VERB
admet-835	637	11	the	the	DET
admet-835	637	12	importance	importance	NOUN
admet-835	637	13	of	of	ADP
admet-835	637	14	the	the	DET
admet-835	637	15	173	173	NUM
admet-835	637	16	descriptors	descriptor	NOUN
admet-835	637	17	based	base	VERB
admet-835	637	18	on	on	ADP
admet-835	637	19	their	their	PRON
admet-835	637	20	individual	individual	ADJ
admet-835	637	21	effects	effect	NOUN
admet-835	637	22	on	on	ADP
admet-835	637	23	mean	mean	ADJ
admet-835	637	24	squared	square	VERB
admet-835	637	25	error	error	NOUN
admet-835	637	26	(	(	PUNCT
admet-835	637	27	mse	mse	NOUN
admet-835	637	28	)	)	PUNCT
admet-835	637	29	for	for	ADP
admet-835	637	30	out	out	ADV
admet-835	637	31	-	-	PUNCT
admet-835	637	32	of	of	ADP
admet-835	637	33	-	-	PUNCT
admet-835	637	34	bag	bag	NOUN
admet-835	637	35	predictions	prediction	NOUN
admet-835	637	36	of	of	ADP
admet-835	637	37	the	the	DET
admet-835	637	38	training	training	NOUN
admet-835	637	39	set	set	NOUN
admet-835	637	40	,	,	PUNCT
admet-835	637	41	and	and	CCONJ
admet-835	637	42	on	on	ADP
admet-835	637	43	node	node	ADJ
admet-835	637	44	purity	purity	NOUN
admet-835	637	45	.	.	PUNCT
admet-835	638	1	we	we	PRON
admet-835	638	2	also	also	ADV
admet-835	638	3	rank	rank	VERB
admet-835	638	4	the	the	DET
admet-835	638	5	descriptors	descriptor	NOUN
admet-835	638	6	according	accord	VERB
admet-835	638	7	to	to	ADP
admet-835	638	8	their	their	PRON
admet-835	638	9	r	r	NOUN
admet-835	638	10	2	2	NUM
admet-835	638	11	measure	measure	NOUN
admet-835	638	12	of	of	ADP
admet-835	638	13	correlation	correlation	NOUN
admet-835	638	14	with	with	ADP
admet-835	638	15	the	the	DET
admet-835	638	16	training	training	NOUN
admet-835	638	17	set	set	VERB
admet-835	638	18	log	log	NOUN
admet-835	638	19	s	s	PART
admet-835	638	20	values	value	NOUN
admet-835	638	21	.	.	PUNCT
admet-835	639	1	any	any	DET
admet-835	639	2	descriptor	descriptor	NOUN
admet-835	639	3	in	in	ADP
admet-835	639	4	the	the	DET
admet-835	639	5	top	top	ADJ
admet-835	639	6	35	35	NUM
admet-835	639	7	based	base	VERB
admet-835	639	8	on	on	ADP
admet-835	639	9	mse	mse	NOUN
admet-835	639	10	or	or	CCONJ
admet-835	639	11	in	in	ADP
admet-835	639	12	the	the	DET
admet-835	639	13	top	top	NOUN
admet-835	639	14	10	10	NUM
admet-835	639	15	for	for	ADP
admet-835	639	16	another	another	DET
admet-835	639	17	measure	measure	NOUN
admet-835	639	18	is	be	AUX
admet-835	639	19	listed	list	VERB
admet-835	639	20	.	.	PUNCT
admet-835	640	1	definitions	definition	NOUN
admet-835	640	2	of	of	ADP
admet-835	640	3	descriptors	descriptor	NOUN
admet-835	640	4	are	be	AUX
admet-835	640	5	available	available	ADJ
admet-835	640	6	from	from	ADP
admet-835	640	7	reference	reference	NOUN
admet-835	640	8	[	[	X
admet-835	640	9	55	55	NUM
admet-835	640	10	]	]	SYM
admet-835	640	11	%	%	NOUN
admet-835	640	12	incmse	incmse	PROPN
admet-835	640	13	rank	rank	PROPN
admet-835	640	14	mse	mse	PROPN
admet-835	640	15	incnodepurity	incnodepurity	PROPN
admet-835	640	16	rank	rank	NOUN
admet-835	640	17	pure	pure	ADJ
admet-835	640	18	r	r	NOUN
admet-835	640	19	2	2	NUM
admet-835	640	20	v	v	NOUN
admet-835	640	21	log	log	NOUN
admet-835	640	22	s	s	NOUN
admet-835	640	23	rank	rank	NOUN
admet-835	640	24	r	r	NOUN
admet-835	640	25	2	2	NUM
admet-835	640	26	xlogp	xlogp	NOUN
admet-835	640	27	20.95	20.95	NUM
admet-835	640	28	1	1	NUM
admet-835	640	29	52.36	52.36	NUM
admet-835	640	30	1	1	NUM
admet-835	640	31	0.47	0.47	NUM
admet-835	640	32	1	1	NUM
admet-835	640	33	alogp	alogp	NOUN
admet-835	640	34	14.92	14.92	NUM
admet-835	640	35	2	2	NUM
admet-835	640	36	23.29	23.29	NUM
admet-835	640	37	3	3	NUM
admet-835	640	38	0.26	0.26	NUM
admet-835	640	39	25	25	NUM
admet-835	640	40	alogp2	alogp2	NOUN
admet-835	640	41	14.85	14.85	NUM
admet-835	640	42	3	3	NUM
admet-835	640	43	26.79	26.79	NUM
admet-835	640	44	2	2	NUM
admet-835	640	45	0.40	0.40	NUM
admet-835	640	46	3	3	NUM
admet-835	640	47	mdec-23	mdec-23	NOUN
admet-835	640	48	9.23	9.23	NUM
admet-835	640	49	4	4	NUM
admet-835	640	50	18.09	18.09	NUM
admet-835	640	51	4	4	NUM
admet-835	640	52	0.42	0.42	NUM
admet-835	640	53	2	2	NUM
admet-835	640	54	vch-7	vch-7	NUM
admet-835	640	55	7.23	7.23	NUM
admet-835	640	56	5	5	NUM
admet-835	640	57	5.40	5.40	NUM
admet-835	640	58	5	5	NUM
admet-835	640	59	0.06	0.06	NUM
admet-835	640	60	84	84	NUM
admet-835	640	61	atsc3	atsc3	X
admet-835	640	62	7.03	7.03	NUM
admet-835	640	63	6	6	NUM
admet-835	640	64	3.42	3.42	NUM
admet-835	640	65	14	14	NUM
admet-835	640	66	0.03	0.03	NUM
admet-835	640	67	94	94	NUM
admet-835	640	68	spc-6	spc-6	NUM
admet-835	640	69	6.44	6.44	NUM
admet-835	640	70	7	7	NUM
admet-835	640	71	4.04	4.04	NUM
admet-835	640	72	11	11	NUM
admet-835	640	73	0.17	0.17	NUM
admet-835	640	74	54	54	NUM
admet-835	640	75	spc-4	spc-4	NUM
admet-835	640	76	6.30	6.30	NUM
admet-835	640	77	8	8	NUM
admet-835	640	78	2.85	2.85	NUM
admet-835	640	79	20	20	NUM
admet-835	640	80	0.13	0.13	NUM
admet-835	640	81	66	66	NUM
admet-835	640	82	mdec-33	mdec-33	PROPN
admet-835	640	83	6.29	6.29	NUM
admet-835	640	84	9	9	NUM
admet-835	640	85	4.87	4.87	NUM
admet-835	640	86	8	8	NUM
admet-835	640	87	0.11	0.11	NUM
admet-835	640	88	69	69	NUM
admet-835	640	89	topopsa	topopsa	NOUN
admet-835	640	90	5.98	5.98	NUM
admet-835	640	91	10	10	NUM
admet-835	640	92	1.38	1.38	NUM
admet-835	640	93	57	57	NUM
admet-835	640	94	0.02	0.02	NUM
admet-835	640	95	102	102	NUM
admet-835	640	96	vp-2	vp-2	NOUN
admet-835	640	97	5.66	5.66	NUM
admet-835	640	98	11	11	NUM
admet-835	640	99	1.78	1.78	NUM
admet-835	640	100	47	47	NUM
admet-835	640	101	0.20	0.20	NUM
admet-835	640	102	45	45	NUM
admet-835	640	103	khs.aach	khs.aach	NOUN
admet-835	640	104	5.30	5.30	NUM
admet-835	640	105	12	12	NUM
admet-835	640	106	4.62	4.62	NUM
admet-835	640	107	9	9	NUM
admet-835	640	108	0.21	0.21	NUM
admet-835	640	109	43	43	NUM
admet-835	640	110	atsm3	atsm3	NOUN
admet-835	640	111	5.29	5.29	NUM
admet-835	640	112	13	13	NUM
admet-835	640	113	0.94	0.94	NUM
admet-835	640	114	72	72	NUM
admet-835	640	115	0.18	0.18	NUM
admet-835	640	116	52	52	NUM
admet-835	640	117	atsp4	atsp4	NOUN
admet-835	640	118	5.26	5.26	NUM
admet-835	640	119	14	14	NUM
admet-835	640	120	3.46	3.46	NUM
admet-835	640	121	13	13	NUM
admet-835	640	122	0.29	0.29	NUM
admet-835	640	123	19	19	NUM
admet-835	640	124	vc-5	vc-5	NOUN
admet-835	640	125	5.26	5.26	NUM
admet-835	640	126	15	15	NUM
admet-835	640	127	2.00	2.00	NUM
admet-835	640	128	33	33	NUM
admet-835	640	129	0.08	0.08	NUM
admet-835	640	130	79	79	NUM
admet-835	640	131	c2sp2	c2sp2	NOUN
admet-835	640	132	5.23	5.23	NUM
admet-835	640	133	16	16	NUM
admet-835	640	134	4.99	4.99	NUM
admet-835	640	135	7	7	NUM
admet-835	640	136	0.32	0.32	NUM
admet-835	640	137	8	8	NUM
admet-835	640	138	sp-6	sp-6	ADP
admet-835	640	139	5.20	5.20	NUM
admet-835	640	140	17	17	NUM
admet-835	640	141	2.60	2.60	NUM
admet-835	640	142	23	23	NUM
admet-835	640	143	0.30	0.30	NUM
admet-835	640	144	11	11	NUM
admet-835	640	145	sc-5	sc-5	NOUN
admet-835	640	146	5.03	5.03	NUM
admet-835	640	147	18	18	NUM
admet-835	640	148	1.90	1.90	NUM
admet-835	640	149	39	39	NUM
admet-835	640	150	0.06	0.06	NUM
admet-835	640	151	83	83	NUM
admet-835	640	152	atsm4	atsm4	NOUN
admet-835	640	153	4.96	4.96	NUM
admet-835	640	154	19	19	NUM
admet-835	640	155	2.47	2.47	NUM
admet-835	640	156	26	26	NUM
admet-835	640	157	0.21	0.21	NUM
admet-835	640	158	40	40	NUM
admet-835	640	159	vpc-4	vpc-4	NUM
admet-835	640	160	4.93	4.93	NUM
admet-835	640	161	20	20	NUM
admet-835	640	162	1.23	1.23	NUM
admet-835	640	163	63	63	NUM
admet-835	640	164	0.13	0.13	NUM
admet-835	640	165	64	64	NUM
admet-835	640	166	atsp2	atsp2	NOUN
admet-835	640	167	4.60	4.60	NUM
admet-835	640	168	21	21	NUM
admet-835	640	169	1.49	1.49	NUM
admet-835	640	170	56	56	NUM
admet-835	640	171	0.30	0.30	NUM
admet-835	640	172	13	13	NUM
admet-835	640	173	atsm5	atsm5	NOUN
admet-835	640	174	4.53	4.53	NUM
admet-835	640	175	22	22	NUM
admet-835	640	176	3.79	3.79	NUM
admet-835	640	177	12	12	NUM
admet-835	640	178	0.21	0.21	NUM
admet-835	640	179	41	41	NUM
admet-835	640	180	sc-3	sc-3	NOUN
admet-835	640	181	4.51	4.51	NUM
admet-835	640	182	23	23	NUM
admet-835	640	183	0.93	0.93	NUM
admet-835	640	184	75	75	NUM
admet-835	640	185	0.06	0.06	NUM
admet-835	640	186	82	82	NUM
admet-835	640	187	naaromatom	naaromatom	NOUN
admet-835	640	188	4.47	4.47	NUM
admet-835	640	189	24	24	NUM
admet-835	640	190	2.87	2.87	NUM
admet-835	640	191	19	19	NUM
admet-835	640	192	0.27	0.27	NUM
admet-835	640	193	20	20	NUM
admet-835	640	194	bcutp-1h	bcutp-1h	NOUN
admet-835	640	195	4.42	4.42	NUM
admet-835	640	196	25	25	NUM
admet-835	640	197	1.99	1.99	NUM
admet-835	640	198	35	35	NUM
admet-835	640	199	0.25	0.25	NUM
admet-835	640	200	31	31	NUM
admet-835	640	201	sp-5	sp-5	NOUN
admet-835	640	202	4.41	4.41	NUM
admet-835	640	203	26	26	NUM
admet-835	640	204	3.30	3.30	NUM
admet-835	640	205	15	15	NUM
admet-835	640	206	0.32	0.32	NUM
admet-835	640	207	6	6	NUM
admet-835	640	208	sp-4	sp-4	NOUN
admet-835	640	209	4.40	4.40	NUM
admet-835	640	210	27	27	NUM
admet-835	640	211	1.65	1.65	NUM
admet-835	640	212	51	51	NUM
admet-835	640	213	0.30	0.30	NUM
admet-835	640	214	17	17	NUM
admet-835	640	215	khs.aasn	khs.aasn	NOUN
admet-835	640	216	4.37	4.37	NUM
admet-835	640	217	28	28	NUM
admet-835	640	218	1.82	1.82	NUM
admet-835	640	219	43	43	NUM
admet-835	640	220	0.05	0.05	NUM
admet-835	640	221	90	90	NUM
admet-835	640	222	atsm1	atsm1	NOUN
admet-835	640	223	4.34	4.34	NUM
admet-835	640	224	29	29	NUM
admet-835	640	225	1.35	1.35	NUM
admet-835	640	226	58	58	NUM
admet-835	640	227	0.05	0.05	NUM
admet-835	640	228	91	91	NUM
admet-835	640	229	sp-7	sp-7	NUM
admet-835	640	230	4.33	4.33	NUM
admet-835	640	231	30	30	NUM
admet-835	640	232	2.51	2.51	NUM
admet-835	640	233	25	25	NUM
admet-835	640	234	0.30	0.30	NUM
admet-835	640	235	12	12	NUM
admet-835	640	236	vp-6	vp-6	NOUN
admet-835	640	237	4.26	4.26	NUM
admet-835	640	238	31	31	NUM
admet-835	640	239	1.96	1.96	NUM
admet-835	640	240	36	36	NUM
admet-835	640	241	0.22	0.22	NUM
admet-835	640	242	39	39	NUM
admet-835	640	243	mw	mw	PROPN
admet-835	640	244	4.21	4.21	NUM
admet-835	640	245	32	32	NUM
admet-835	640	246	2.07	2.07	NUM
admet-835	640	247	31	31	NUM
admet-835	640	248	0.20	0.20	NUM
admet-835	640	249	44	44	NUM
admet-835	640	250	vpc-6	vpc-6	NUM
admet-835	640	251	4.19	4.19	NUM
admet-835	640	252	33	33	NUM
admet-835	640	253	3.21	3.21	NUM
admet-835	640	254	16	16	NUM
admet-835	640	255	0.15	0.15	NUM
admet-835	640	256	61	61	NUM
admet-835	640	257	atsp3	atsp3	ADV
admet-835	640	258	4.18	4.18	NUM
admet-835	640	259	34	34	NUM
admet-835	640	260	2.75	2.75	NUM
admet-835	640	261	21	21	NUM
admet-835	640	262	0.29	0.29	NUM
admet-835	640	263	18	18	NUM
admet-835	640	264	vp-0	vp-0	ADV
admet-835	640	265	4.17	4.17	NUM
admet-835	640	266	35	35	NUM
admet-835	640	267	1.88	1.88	NUM
admet-835	640	268	40	40	NUM
admet-835	640	269	0.22	0.22	NUM
admet-835	640	270	38	38	NUM
admet-835	640	271	c3sp2	c3sp2	NOUN
admet-835	640	272	3.72	3.72	NUM
admet-835	640	273	42	42	NUM
admet-835	640	274	4.20	4.20	NUM
admet-835	640	275	10	10	NUM
admet-835	640	276	0.37	0.37	NUM
admet-835	640	277	5	5	NUM
admet-835	640	278	nrings6	nrings6	NOUN
admet-835	640	279	3.64	3.64	NUM
admet-835	640	280	43	43	NUM
admet-835	640	281	5.01	5.01	NUM
admet-835	640	282	6	6	NUM
admet-835	640	283	0.37	0.37	NUM
admet-835	640	284	4	4	NUM
admet-835	640	285	wtpt-2	wtpt-2	NOUN
admet-835	640	286	3.04	3.04	NUM
admet-835	640	287	58	58	NUM
admet-835	640	288	3.19	3.19	NUM
admet-835	640	289	17	17	NUM
admet-835	640	290	0.32	0.32	NUM
admet-835	640	291	7	7	NUM
admet-835	640	292	mlogp	mlogp	NOUN
admet-835	640	293	1.88	1.88	NUM
admet-835	640	294	87	87	NUM
admet-835	640	295	2.53	2.53	NUM
admet-835	640	296	24	24	NUM
admet-835	640	297	0.31	0.31	NUM
admet-835	640	298	9	9	NUM
admet-835	640	299	vadjmat	vadjmat	NOUN
admet-835	640	300	0.38	0.38	NUM
admet-835	640	301	127	127	NUM
admet-835	640	302	0.27	0.27	NUM
admet-835	640	303	127	127	NUM
admet-835	640	304	0.30	0.30	NUM
admet-835	640	305	10	10	NUM
admet-835	640	306	admet	admet	PROPN
admet-835	640	307	&	&	CCONJ
admet-835	640	308	dmpk	dmpk	PROPN
admet-835	640	309	8(3	8(3	NUM
admet-835	640	310	)	)	PUNCT
admet-835	640	311	(	(	PUNCT
admet-835	640	312	2020	2020	NUM
admet-835	640	313	)	)	PUNCT
admet-835	640	314	215	215	NUM
admet-835	640	315	-	-	SYM
admet-835	640	316	250	250	NUM
admet-835	640	317	machine	machine	NOUN
admet-835	640	318	learning	learning	NOUN
admet-835	640	319	models	model	NOUN
admet-835	640	320	for	for	ADP
admet-835	640	321	the	the	DET
admet-835	640	322	2019	2019	NUM
admet-835	640	323	solubility	solubility	NOUN
admet-835	640	324	challenge	challenge	NOUN
admet-835	640	325	doi	doi	NOUN
admet-835	640	326	:	:	PUNCT
admet-835	640	327	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	640	328	237	237	NUM
admet-835	640	329	table	table	NOUN
admet-835	640	330	a4	a4	NOUN
admet-835	640	331	.	.	PUNCT
admet-835	641	1	statistical	statistical	ADJ
admet-835	641	2	evaluations	evaluation	NOUN
admet-835	641	3	of	of	ADP
admet-835	641	4	predictions	prediction	NOUN
admet-835	641	5	for	for	ADP
admet-835	641	6	the	the	DET
admet-835	641	7	extra	extra	ADJ
admet-835	641	8	trees	tree	NOUN
admet-835	641	9	,	,	PUNCT
admet-835	641	10	random	random	ADJ
admet-835	641	11	forest	forest	NOUN
admet-835	641	12	and	and	CCONJ
admet-835	641	13	bagging	bagging	NOUN
admet-835	641	14	predictors	predictor	NOUN
admet-835	641	15	and	and	CCONJ
admet-835	641	16	for	for	ADP
admet-835	641	17	the	the	DET
admet-835	641	18	vox	vox	PROPN
admet-835	641	19	machinarum	machinarum	PROPN
admet-835	641	20	consensus	consensus	NOUN
admet-835	641	21	classifier	classifier	NOUN
admet-835	641	22	over	over	ADP
admet-835	641	23	avdeef	avdeef	PROPN
admet-835	641	24	’s	’s	PART
admet-835	641	25	average	average	ADJ
admet-835	641	26	log	log	NOUN
admet-835	641	27	s	s	PART
admet-835	641	28	values	value	NOUN
admet-835	641	29	[	[	X
admet-835	641	30	45	45	NUM
admet-835	641	31	]	]	PUNCT
admet-835	641	32	for	for	ADP
admet-835	641	33	the	the	DET
admet-835	641	34	89	89	NUM
admet-835	641	35	compounds	compound	NOUN
admet-835	641	36	from	from	ADP
admet-835	641	37	the	the	DET
admet-835	641	38	2019	2019	NUM
admet-835	641	39	solubility	solubility	NOUN
admet-835	641	40	challenge	challenge	NOUN
admet-835	641	41	tight	tight	ADJ
admet-835	641	42	100	100	NUM
admet-835	641	43	-	-	PUNCT
admet-835	641	44	molecule	molecule	NOUN
admet-835	641	45	test	test	NOUN
admet-835	641	46	set	set	VERB
admet-835	641	47	where	where	SCONJ
admet-835	641	48	literature	literature	NOUN
admet-835	641	49	solubilities	solubility	NOUN
admet-835	641	50	were	be	AUX
admet-835	641	51	also	also	ADV
admet-835	641	52	available	available	ADJ
admet-835	641	53	.	.	PUNCT
admet-835	642	1	the	the	DET
admet-835	642	2	vox	vox	PROPN
admet-835	642	3	machinarum	machinarum	PROPN
admet-835	642	4	predictions	prediction	NOUN
admet-835	642	5	reported	report	VERB
admet-835	642	6	here	here	ADV
admet-835	642	7	were	be	AUX
admet-835	642	8	the	the	DET
admet-835	642	9	median	median	NOUN
admet-835	642	10	of	of	ADP
admet-835	642	11	the	the	DET
admet-835	642	12	other	other	ADJ
admet-835	642	13	three	three	NUM
admet-835	642	14	classifiers	classifier	NOUN
admet-835	642	15	’	’	PART
admet-835	642	16	predictions	prediction	NOUN
admet-835	642	17	for	for	ADP
admet-835	642	18	each	each	DET
admet-835	642	19	compound	compound	NOUN
admet-835	642	20	.	.	PUNCT
admet-835	643	1	the	the	DET
admet-835	643	2	standard	standard	ADJ
admet-835	643	3	deviation	deviation	NOUN
admet-835	643	4	of	of	ADP
admet-835	643	5	the	the	DET
admet-835	643	6	89	89	NUM
admet-835	643	7	compounds	compound	NOUN
admet-835	643	8	’	'	PUNCT
admet-835	643	9	log	log	NOUN
admet-835	643	10	s	s	NOUN
admet-835	643	11	values	value	NOUN
admet-835	643	12	is	be	AUX
admet-835	643	13	1.233	1.233	NUM
admet-835	643	14	.	.	PUNCT
admet-835	644	1	method	method	PROPN
admet-835	644	2	rmse	rmse	PROPN
admet-835	644	3	rmse	rmse	PROPN
admet-835	644	4	/	/	SYM
admet-835	644	5	sd	sd	NOUN
admet-835	644	6	aae	aae	PROPN
admet-835	644	7	r	r	NOUN
admet-835	644	8	2	2	NUM
admet-835	644	9	err	err	NOUN
admet-835	644	10	<	<	X
admet-835	644	11	0.5	0.5	NUM
admet-835	644	12	err	err	NOUN
admet-835	644	13	<	<	X
admet-835	644	14	1.0	1.0	NUM
admet-835	644	15	extra	extra	ADJ
admet-835	644	16	trees	tree	NOUN
admet-835	644	17	0.929	0.929	NUM
admet-835	644	18	0.753	0.753	NUM
admet-835	644	19	0.697	0.697	NUM
admet-835	644	20	0.505	0.505	NUM
admet-835	644	21	42	42	NUM
admet-835	644	22	(	(	PUNCT
admet-835	644	23	47	47	NUM
admet-835	644	24	%	%	NOUN
admet-835	644	25	)	)	PUNCT
admet-835	644	26	69	69	NUM
admet-835	644	27	(	(	PUNCT
admet-835	644	28	78	78	NUM
admet-835	644	29	%	%	NOUN
admet-835	644	30	)	)	PUNCT
admet-835	644	31	random	random	ADJ
admet-835	644	32	forest	forest	NOUN
admet-835	644	33	0.982	0.982	NUM
admet-835	644	34	0.796	0.796	NUM
admet-835	644	35	0.748	0.748	NUM
admet-835	644	36	0.459	0.459	NUM
admet-835	644	37	41	41	NUM
admet-835	645	1	(	(	PUNCT
admet-835	645	2	46	46	NUM
admet-835	645	3	%	%	NOUN
admet-835	645	4	)	)	PUNCT
admet-835	645	5	65	65	NUM
admet-835	645	6	(	(	PUNCT
admet-835	645	7	73	73	NUM
admet-835	645	8	%	%	NOUN
admet-835	645	9	)	)	PUNCT
admet-835	645	10	bagging	bag	VERB
admet-835	645	11	1.015	1.015	NUM
admet-835	645	12	0.823	0.823	NUM
admet-835	645	13	0.796	0.796	NUM
admet-835	645	14	0.445	0.445	NUM
admet-835	645	15	35	35	NUM
admet-835	645	16	(	(	PUNCT
admet-835	645	17	39	39	NUM
admet-835	645	18	%	%	NOUN
admet-835	645	19	)	)	PUNCT
admet-835	645	20	60	60	NUM
admet-835	646	1	(	(	PUNCT
admet-835	646	2	67	67	NUM
admet-835	646	3	%	%	NOUN
admet-835	646	4	)	)	PUNCT
admet-835	647	1	vox	vox	PROPN
admet-835	647	2	machinarum	machinarum	PROPN
admet-835	647	3	0.967	0.967	NUM
admet-835	647	4	0.784	0.784	NUM
admet-835	647	5	0.734	0.734	NUM
admet-835	647	6	0.474	0.474	NUM
admet-835	647	7	43	43	NUM
admet-835	647	8	(	(	PUNCT
admet-835	647	9	48	48	NUM
admet-835	647	10	%	%	NOUN
admet-835	647	11	)	)	PUNCT
admet-835	647	12	64	64	NUM
admet-835	647	13	(	(	PUNCT
admet-835	647	14	72	72	NUM
admet-835	647	15	%	%	NOUN
admet-835	647	16	)	)	PUNCT
admet-835	647	17	table	table	NOUN
admet-835	647	18	a5	a5	PROPN
admet-835	647	19	.	.	PUNCT
admet-835	648	1	statistical	statistical	ADJ
admet-835	648	2	evaluations	evaluation	NOUN
admet-835	648	3	of	of	ADP
admet-835	648	4	predictions	prediction	NOUN
admet-835	648	5	for	for	ADP
admet-835	648	6	the	the	DET
admet-835	648	7	extra	extra	ADJ
admet-835	648	8	trees	tree	NOUN
admet-835	648	9	,	,	PUNCT
admet-835	648	10	random	random	ADJ
admet-835	648	11	forest	forest	NOUN
admet-835	648	12	and	and	CCONJ
admet-835	648	13	bagging	bagging	NOUN
admet-835	648	14	predictors	predictor	NOUN
admet-835	648	15	and	and	CCONJ
admet-835	648	16	for	for	ADP
admet-835	648	17	the	the	DET
admet-835	648	18	vox	vox	PROPN
admet-835	648	19	machinarum	machinarum	PROPN
admet-835	648	20	consensus	consensus	NOUN
admet-835	648	21	classifier	classifier	NOUN
admet-835	648	22	over	over	ADP
admet-835	648	23	avdeef	avdeef	PROPN
admet-835	648	24	’s	’s	PART
admet-835	648	25	average	average	ADJ
admet-835	648	26	log	log	NOUN
admet-835	648	27	s	s	PART
admet-835	648	28	values	value	NOUN
admet-835	648	29	[	[	X
admet-835	648	30	45	45	NUM
admet-835	648	31	]	]	PUNCT
admet-835	648	32	for	for	ADP
admet-835	648	33	the	the	DET
admet-835	648	34	26	26	NUM
admet-835	648	35	compounds	compound	NOUN
admet-835	648	36	from	from	ADP
admet-835	648	37	the	the	DET
admet-835	648	38	2019	2019	NUM
admet-835	648	39	solubility	solubility	NOUN
admet-835	648	40	challenge	challenge	NOUN
admet-835	648	41	loose	loose	ADJ
admet-835	648	42	32	32	NUM
admet-835	648	43	-	-	PUNCT
admet-835	648	44	molecule	molecule	NOUN
admet-835	648	45	test	test	NOUN
admet-835	648	46	set	set	VERB
admet-835	648	47	where	where	SCONJ
admet-835	648	48	literature	literature	NOUN
admet-835	648	49	solubilities	solubility	NOUN
admet-835	648	50	were	be	AUX
admet-835	648	51	also	also	ADV
admet-835	648	52	available	available	ADJ
admet-835	648	53	.	.	PUNCT
admet-835	649	1	the	the	DET
admet-835	649	2	vox	vox	PROPN
admet-835	649	3	machinarum	machinarum	PROPN
admet-835	649	4	predictions	prediction	NOUN
admet-835	649	5	reported	report	VERB
admet-835	649	6	here	here	ADV
admet-835	649	7	were	be	AUX
admet-835	649	8	the	the	DET
admet-835	649	9	median	median	NOUN
admet-835	649	10	of	of	ADP
admet-835	649	11	the	the	DET
admet-835	649	12	other	other	ADJ
admet-835	649	13	three	three	NUM
admet-835	649	14	classifiers	classifier	NOUN
admet-835	649	15	’	’	PART
admet-835	649	16	predictions	prediction	NOUN
admet-835	649	17	for	for	ADP
admet-835	649	18	each	each	DET
admet-835	649	19	compound	compound	NOUN
admet-835	649	20	.	.	PUNCT
admet-835	650	1	the	the	DET
admet-835	650	2	random	random	ADJ
admet-835	650	3	forest	forest	NOUN
admet-835	650	4	and	and	CCONJ
admet-835	650	5	vox	vox	PROPN
admet-835	650	6	machinarum	machinarum	PROPN
admet-835	650	7	predicted	predict	VERB
admet-835	650	8	solubilities	solubility	NOUN
admet-835	650	9	were	be	AUX
admet-835	650	10	identical	identical	ADJ
admet-835	650	11	for	for	ADP
admet-835	650	12	21	21	NUM
admet-835	650	13	out	out	ADP
admet-835	650	14	of	of	ADP
admet-835	650	15	these	these	DET
admet-835	650	16	26	26	NUM
admet-835	650	17	compounds	compound	NOUN
admet-835	650	18	.	.	PUNCT
admet-835	651	1	the	the	DET
admet-835	651	2	standard	standard	ADJ
admet-835	651	3	deviation	deviation	NOUN
admet-835	651	4	of	of	ADP
admet-835	651	5	the	the	DET
admet-835	651	6	26	26	NUM
admet-835	651	7	compounds	compound	NOUN
admet-835	651	8	’	'	PUNCT
admet-835	651	9	log	log	NOUN
admet-835	651	10	s	s	NOUN
admet-835	651	11	values	value	NOUN
admet-835	651	12	is	be	AUX
admet-835	651	13	2.191	2.191	NUM
admet-835	651	14	.	.	PUNCT
admet-835	652	1	method	method	PROPN
admet-835	652	2	rmse	rmse	PROPN
admet-835	652	3	rmse	rmse	PROPN
admet-835	652	4	/	/	SYM
admet-835	652	5	sd	sd	NOUN
admet-835	652	6	aae	aae	PROPN
admet-835	652	7	r	r	NOUN
admet-835	652	8	2	2	NUM
admet-835	652	9	err	err	NOUN
admet-835	652	10	<	<	X
admet-835	652	11	0.5	0.5	NUM
admet-835	652	12	err	err	NOUN
admet-835	652	13	<	<	X
admet-835	652	14	1.0	1.0	NUM
admet-835	652	15	extra	extra	ADJ
admet-835	652	16	trees	tree	NOUN
admet-835	652	17	1.488	1.488	NUM
admet-835	652	18	0.679	0.679	NUM
admet-835	652	19	1.072	1.072	NUM
admet-835	652	20	0.734	0.734	NUM
admet-835	652	21	7	7	NUM
admet-835	652	22	(	(	PUNCT
admet-835	652	23	27	27	NUM
admet-835	652	24	%	%	NOUN
admet-835	652	25	)	)	PUNCT
admet-835	652	26	16	16	NUM
admet-835	652	27	(	(	PUNCT
admet-835	652	28	62	62	NUM
admet-835	652	29	%	%	NOUN
admet-835	652	30	)	)	PUNCT
admet-835	652	31	random	random	ADJ
admet-835	652	32	forest	forest	NOUN
admet-835	652	33	1.441	1.441	NUM
admet-835	652	34	0.658	0.658	NUM
admet-835	652	35	1.054	1.054	NUM
admet-835	652	36	0.787	0.787	NUM
admet-835	652	37	8	8	NUM
admet-835	652	38	(	(	PUNCT
admet-835	652	39	31	31	NUM
admet-835	652	40	%	%	NOUN
admet-835	652	41	)	)	PUNCT
admet-835	652	42	15	15	NUM
admet-835	652	43	(	(	PUNCT
admet-835	652	44	58	58	NUM
admet-835	652	45	%	%	NOUN
admet-835	652	46	)	)	PUNCT
admet-835	652	47	bagging	bag	VERB
admet-835	652	48	1.479	1.479	NUM
admet-835	652	49	0.675	0.675	NUM
admet-835	652	50	1.083	1.083	NUM
admet-835	652	51	0.770	0.770	NUM
admet-835	652	52	7	7	NUM
admet-835	652	53	(	(	PUNCT
admet-835	652	54	27	27	NUM
admet-835	652	55	%	%	NOUN
admet-835	652	56	)	)	PUNCT
admet-835	652	57	14	14	NUM
admet-835	652	58	(	(	PUNCT
admet-835	652	59	54	54	NUM
admet-835	652	60	%	%	NOUN
admet-835	652	61	)	)	PUNCT
admet-835	653	1	vox	vox	PROPN
admet-835	653	2	machinarum	machinarum	VERB
admet-835	653	3	1.444	1.444	NUM
admet-835	653	4	0.659	0.659	NUM
admet-835	653	5	1.055	1.055	NUM
admet-835	653	6	0.787	0.787	NUM
admet-835	653	7	8	8	NUM
admet-835	653	8	(	(	PUNCT
admet-835	653	9	31	31	NUM
admet-835	653	10	%	%	NOUN
admet-835	653	11	)	)	PUNCT
admet-835	653	12	15	15	NUM
admet-835	653	13	(	(	PUNCT
admet-835	653	14	58	58	NUM
admet-835	653	15	%	%	NOUN
admet-835	653	16	)	)	PUNCT
admet-835	653	17	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	653	18	john	john	PROPN
admet-835	653	19	b.	b.	PROPN
admet-835	653	20	o.	o.	PROPN
admet-835	653	21	mitchell	mitchell	PROPN
admet-835	653	22	admet	admet	PROPN
admet-835	653	23	&	&	CCONJ
admet-835	653	24	dmpk	dmpk	PROPN
admet-835	653	25	8(3	8(3	NUM
admet-835	653	26	)	)	PUNCT
admet-835	653	27	(	(	PUNCT
admet-835	653	28	2020	2020	NUM
admet-835	653	29	)	)	PUNCT
admet-835	653	30	215	215	NUM
admet-835	653	31	-	-	SYM
admet-835	653	32	250	250	NUM
admet-835	653	33	238	238	NUM
admet-835	653	34	figure	figure	NOUN
admet-835	653	35	a1	a1	NOUN
admet-835	653	36	.	.	PUNCT
admet-835	654	1	random	random	ADJ
admet-835	654	2	forest	forest	NOUN
admet-835	654	3	predictions	prediction	NOUN
admet-835	654	4	plotted	plot	VERB
admet-835	654	5	against	against	ADP
admet-835	654	6	our	our	PRON
admet-835	654	7	sourced	source	VERB
admet-835	654	8	literature	literature	NOUN
admet-835	654	9	log	log	NOUN
admet-835	654	10	s	s	PART
admet-835	654	11	values	value	NOUN
admet-835	654	12	(	(	PUNCT
admet-835	654	13	see	see	VERB
admet-835	654	14	table	table	NOUN
admet-835	654	15	a1	a1	NOUN
admet-835	654	16	for	for	ADP
admet-835	654	17	references	reference	NOUN
admet-835	654	18	)	)	PUNCT
admet-835	654	19	for	for	ADP
admet-835	654	20	89	89	NUM
admet-835	654	21	compounds	compound	NOUN
admet-835	654	22	from	from	ADP
admet-835	654	23	the	the	DET
admet-835	654	24	2019	2019	NUM
admet-835	654	25	solubility	solubility	NOUN
admet-835	654	26	challenge	challenge	VERB
admet-835	654	27	tight	tight	ADJ
admet-835	654	28	test	test	NOUN
admet-835	654	29	set	set	NOUN
admet-835	654	30	of	of	ADP
admet-835	654	31	100	100	NUM
admet-835	654	32	molecules	molecule	NOUN
admet-835	654	33	.	.	PUNCT
admet-835	655	1	compounds	compound	NOUN
admet-835	655	2	with	with	ADP
admet-835	655	3	prediction	prediction	NOUN
admet-835	655	4	errors	error	NOUN
admet-835	655	5	of	of	ADP
admet-835	655	6	under	under	ADP
admet-835	655	7	0.5	0.5	NUM
admet-835	655	8	(	(	PUNCT
admet-835	655	9	blue	blue	NOUN
admet-835	655	10	)	)	PUNCT
admet-835	655	11	,	,	PUNCT
admet-835	655	12	0.5	0.5	NUM
admet-835	655	13	to	to	PART
admet-835	655	14	1.0	1.0	NUM
admet-835	655	15	(	(	PUNCT
admet-835	655	16	green	green	NOUN
admet-835	655	17	)	)	PUNCT
admet-835	655	18	,	,	PUNCT
admet-835	655	19	1.0	1.0	NUM
admet-835	655	20	to	to	ADP
admet-835	655	21	2.0	2.0	NUM
admet-835	655	22	(	(	PUNCT
admet-835	655	23	orange	orange	PROPN
admet-835	655	24	)	)	PUNCT
admet-835	655	25	,	,	PUNCT
admet-835	655	26	and	and	CCONJ
admet-835	655	27	over	over	ADP
admet-835	655	28	2.0	2.0	NUM
admet-835	655	29	logs	log	NOUN
admet-835	655	30	units	unit	NOUN
admet-835	655	31	(	(	PUNCT
admet-835	655	32	red	red	ADJ
admet-835	655	33	)	)	PUNCT
admet-835	655	34	are	be	AUX
admet-835	655	35	shown	show	VERB
admet-835	655	36	in	in	ADP
admet-835	655	37	their	their	PRON
admet-835	655	38	respective	respective	ADJ
admet-835	655	39	colours	colour	NOUN
admet-835	655	40	.	.	PUNCT
admet-835	656	1	the	the	DET
admet-835	656	2	black	black	ADJ
admet-835	656	3	diagonal	diagonal	ADJ
admet-835	656	4	line	line	NOUN
admet-835	656	5	shows	show	VERB
admet-835	656	6	equality	equality	NOUN
admet-835	656	7	of	of	ADP
admet-835	656	8	predicted	predict	VERB
admet-835	656	9	and	and	CCONJ
admet-835	656	10	experimental	experimental	ADJ
admet-835	656	11	solubilities	solubility	NOUN
admet-835	656	12	,	,	PUNCT
admet-835	656	13	while	while	SCONJ
admet-835	656	14	the	the	DET
admet-835	656	15	grey	grey	ADJ
admet-835	656	16	line	line	NOUN
admet-835	656	17	is	be	AUX
admet-835	656	18	a	a	DET
admet-835	656	19	line	line	NOUN
admet-835	656	20	of	of	ADP
admet-835	656	21	best	good	ADJ
admet-835	656	22	fit	fit	ADJ
admet-835	656	23	to	to	ADP
admet-835	656	24	the	the	DET
admet-835	656	25	data	datum	NOUN
admet-835	656	26	.	.	PUNCT
admet-835	657	1	admet	admet	PROPN
admet-835	657	2	&	&	CCONJ
admet-835	657	3	dmpk	dmpk	PROPN
admet-835	657	4	8(3	8(3	NUM
admet-835	657	5	)	)	PUNCT
admet-835	657	6	(	(	PUNCT
admet-835	657	7	2020	2020	NUM
admet-835	657	8	)	)	PUNCT
admet-835	657	9	215	215	NUM
admet-835	657	10	-	-	SYM
admet-835	657	11	250	250	NUM
admet-835	657	12	machine	machine	NOUN
admet-835	657	13	learning	learning	NOUN
admet-835	657	14	models	model	NOUN
admet-835	657	15	for	for	ADP
admet-835	657	16	the	the	DET
admet-835	657	17	2019	2019	NUM
admet-835	657	18	solubility	solubility	NOUN
admet-835	657	19	challenge	challenge	NOUN
admet-835	657	20	doi	doi	NOUN
admet-835	657	21	:	:	PUNCT
admet-835	657	22	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	657	23	239	239	NUM
admet-835	657	24	figure	figure	NOUN
admet-835	657	25	a2	a2	PROPN
admet-835	657	26	.	.	PUNCT
admet-835	658	1	vox	vox	PROPN
admet-835	658	2	machinarum	machinarum	PROPN
admet-835	658	3	predictions	prediction	NOUN
admet-835	658	4	plotted	plot	VERB
admet-835	658	5	against	against	ADP
admet-835	658	6	our	our	PRON
admet-835	658	7	sourced	source	VERB
admet-835	658	8	literature	literature	NOUN
admet-835	658	9	log	log	NOUN
admet-835	658	10	s	s	PART
admet-835	658	11	values	value	NOUN
admet-835	658	12	(	(	PUNCT
admet-835	658	13	see	see	VERB
admet-835	658	14	table	table	NOUN
admet-835	658	15	a1	a1	NOUN
admet-835	658	16	for	for	ADP
admet-835	658	17	references	reference	NOUN
admet-835	658	18	)	)	PUNCT
admet-835	658	19	for	for	ADP
admet-835	658	20	89	89	NUM
admet-835	658	21	compounds	compound	NOUN
admet-835	658	22	from	from	ADP
admet-835	658	23	the	the	DET
admet-835	658	24	2019	2019	NUM
admet-835	658	25	solubility	solubility	NOUN
admet-835	658	26	challenge	challenge	NOUN
admet-835	658	27	‘	'	PUNCT
admet-835	658	28	tight	tight	ADJ
admet-835	658	29	’	'	PUNCT
admet-835	658	30	test	test	NOUN
admet-835	658	31	set	set	NOUN
admet-835	658	32	of	of	ADP
admet-835	658	33	100	100	NUM
admet-835	658	34	molecules	molecule	NOUN
admet-835	658	35	.	.	PUNCT
admet-835	659	1	compounds	compound	NOUN
admet-835	659	2	with	with	ADP
admet-835	659	3	prediction	prediction	NOUN
admet-835	659	4	errors	error	NOUN
admet-835	659	5	of	of	ADP
admet-835	659	6	under	under	ADP
admet-835	659	7	0.5	0.5	NUM
admet-835	659	8	,	,	PUNCT
admet-835	659	9	0.5	0.5	NUM
admet-835	659	10	to	to	ADP
admet-835	659	11	1.0	1.0	NUM
admet-835	659	12	,	,	PUNCT
admet-835	659	13	1.0	1.0	NUM
admet-835	659	14	to	to	ADP
admet-835	659	15	2.0	2.0	NUM
admet-835	659	16	,	,	PUNCT
admet-835	659	17	and	and	CCONJ
admet-835	659	18	over	over	ADP
admet-835	659	19	2.0	2.0	NUM
admet-835	659	20	logs	log	NOUN
admet-835	659	21	units	unit	NOUN
admet-835	659	22	are	be	AUX
admet-835	659	23	respectively	respectively	ADV
admet-835	659	24	shown	show	VERB
admet-835	659	25	in	in	ADP
admet-835	659	26	blue	blue	ADJ
admet-835	659	27	,	,	PUNCT
admet-835	659	28	green	green	ADJ
admet-835	659	29	,	,	PUNCT
admet-835	659	30	orange	orange	ADJ
admet-835	659	31	and	and	CCONJ
admet-835	659	32	red	red	ADJ
admet-835	659	33	.	.	PUNCT
admet-835	660	1	the	the	DET
admet-835	660	2	black	black	ADJ
admet-835	660	3	diagonal	diagonal	ADJ
admet-835	660	4	line	line	NOUN
admet-835	660	5	shows	show	VERB
admet-835	660	6	equality	equality	NOUN
admet-835	660	7	of	of	ADP
admet-835	660	8	predicted	predict	VERB
admet-835	660	9	and	and	CCONJ
admet-835	660	10	experimental	experimental	ADJ
admet-835	660	11	solubilities	solubility	NOUN
admet-835	660	12	,	,	PUNCT
admet-835	660	13	while	while	SCONJ
admet-835	660	14	the	the	DET
admet-835	660	15	grey	grey	ADJ
admet-835	660	16	line	line	NOUN
admet-835	660	17	is	be	AUX
admet-835	660	18	a	a	DET
admet-835	660	19	line	line	NOUN
admet-835	660	20	of	of	ADP
admet-835	660	21	best	good	ADJ
admet-835	660	22	fit	fit	ADJ
admet-835	660	23	to	to	ADP
admet-835	660	24	the	the	DET
admet-835	660	25	data	datum	NOUN
admet-835	660	26	.	.	PUNCT
admet-835	661	1	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	PROPN
admet-835	661	2	john	john	PROPN
admet-835	661	3	b.	b.	PROPN
admet-835	661	4	o.	o.	PROPN
admet-835	661	5	mitchell	mitchell	PROPN
admet-835	661	6	admet	admet	PROPN
admet-835	661	7	&	&	CCONJ
admet-835	661	8	dmpk	dmpk	PROPN
admet-835	661	9	8(3	8(3	NUM
admet-835	661	10	)	)	PUNCT
admet-835	661	11	(	(	PUNCT
admet-835	661	12	2020	2020	NUM
admet-835	661	13	)	)	PUNCT
admet-835	661	14	215	215	NUM
admet-835	661	15	-	-	SYM
admet-835	661	16	250	250	NUM
admet-835	661	17	240	240	NUM
admet-835	661	18	figure	figure	NOUN
admet-835	661	19	a3	a3	NOUN
admet-835	661	20	.	.	PUNCT
admet-835	662	1	bagging	bag	VERB
admet-835	662	2	predictions	prediction	NOUN
admet-835	662	3	plotted	plot	VERB
admet-835	662	4	against	against	ADP
admet-835	662	5	our	our	PRON
admet-835	662	6	sourced	source	VERB
admet-835	662	7	literature	literature	NOUN
admet-835	662	8	log	log	NOUN
admet-835	662	9	s	s	PART
admet-835	662	10	values	value	NOUN
admet-835	662	11	(	(	PUNCT
admet-835	662	12	see	see	VERB
admet-835	662	13	table	table	NOUN
admet-835	662	14	a1	a1	NOUN
admet-835	662	15	for	for	ADP
admet-835	662	16	references	reference	NOUN
admet-835	662	17	)	)	PUNCT
admet-835	662	18	for	for	ADP
admet-835	662	19	89	89	NUM
admet-835	662	20	compounds	compound	NOUN
admet-835	662	21	from	from	ADP
admet-835	662	22	the	the	DET
admet-835	662	23	2019	2019	NUM
admet-835	662	24	solubility	solubility	NOUN
admet-835	662	25	challenge	challenge	VERB
admet-835	662	26	tight	tight	ADJ
admet-835	662	27	test	test	NOUN
admet-835	662	28	set	set	NOUN
admet-835	662	29	of	of	ADP
admet-835	662	30	100	100	NUM
admet-835	662	31	molecules	molecule	NOUN
admet-835	662	32	.	.	PUNCT
admet-835	663	1	compounds	compound	NOUN
admet-835	663	2	with	with	ADP
admet-835	663	3	prediction	prediction	NOUN
admet-835	663	4	errors	error	NOUN
admet-835	663	5	of	of	ADP
admet-835	663	6	under	under	ADP
admet-835	663	7	0.5	0.5	NUM
admet-835	663	8	(	(	PUNCT
admet-835	663	9	blue	blue	NOUN
admet-835	663	10	)	)	PUNCT
admet-835	663	11	,	,	PUNCT
admet-835	663	12	0.5	0.5	NUM
admet-835	663	13	to	to	PART
admet-835	663	14	1.0	1.0	NUM
admet-835	663	15	(	(	PUNCT
admet-835	663	16	green	green	NOUN
admet-835	663	17	)	)	PUNCT
admet-835	663	18	,	,	PUNCT
admet-835	663	19	1.0	1.0	NUM
admet-835	663	20	to	to	ADP
admet-835	663	21	2.0	2.0	NUM
admet-835	663	22	(	(	PUNCT
admet-835	663	23	orange	orange	PROPN
admet-835	663	24	)	)	PUNCT
admet-835	663	25	,	,	PUNCT
admet-835	663	26	and	and	CCONJ
admet-835	663	27	over	over	ADP
admet-835	663	28	2.0	2.0	NUM
admet-835	663	29	logs	log	NOUN
admet-835	663	30	units	unit	NOUN
admet-835	663	31	(	(	PUNCT
admet-835	663	32	red	red	ADJ
admet-835	663	33	)	)	PUNCT
admet-835	663	34	are	be	AUX
admet-835	663	35	shown	show	VERB
admet-835	663	36	in	in	ADP
admet-835	663	37	their	their	PRON
admet-835	663	38	respective	respective	ADJ
admet-835	663	39	colours	colour	NOUN
admet-835	663	40	.	.	PUNCT
admet-835	664	1	the	the	DET
admet-835	664	2	black	black	ADJ
admet-835	664	3	diagonal	diagonal	ADJ
admet-835	664	4	line	line	NOUN
admet-835	664	5	shows	show	VERB
admet-835	664	6	equality	equality	NOUN
admet-835	664	7	of	of	ADP
admet-835	664	8	predicted	predict	VERB
admet-835	664	9	and	and	CCONJ
admet-835	664	10	experimental	experimental	ADJ
admet-835	664	11	solubilities	solubility	NOUN
admet-835	664	12	,	,	PUNCT
admet-835	664	13	while	while	SCONJ
admet-835	664	14	the	the	DET
admet-835	664	15	grey	grey	ADJ
admet-835	664	16	line	line	NOUN
admet-835	664	17	is	be	AUX
admet-835	664	18	a	a	DET
admet-835	664	19	line	line	NOUN
admet-835	664	20	of	of	ADP
admet-835	664	21	best	good	ADJ
admet-835	664	22	fit	fit	ADJ
admet-835	664	23	to	to	ADP
admet-835	664	24	the	the	DET
admet-835	664	25	data	datum	NOUN
admet-835	664	26	.	.	PUNCT
admet-835	665	1	admet	admet	PROPN
admet-835	665	2	&	&	CCONJ
admet-835	665	3	dmpk	dmpk	PROPN
admet-835	665	4	8(3	8(3	NUM
admet-835	665	5	)	)	PUNCT
admet-835	665	6	(	(	PUNCT
admet-835	665	7	2020	2020	NUM
admet-835	665	8	)	)	PUNCT
admet-835	665	9	215	215	NUM
admet-835	665	10	-	-	SYM
admet-835	665	11	250	250	NUM
admet-835	665	12	machine	machine	NOUN
admet-835	665	13	learning	learning	NOUN
admet-835	665	14	models	model	NOUN
admet-835	665	15	for	for	ADP
admet-835	665	16	the	the	DET
admet-835	665	17	2019	2019	NUM
admet-835	665	18	solubility	solubility	NOUN
admet-835	665	19	challenge	challenge	NOUN
admet-835	665	20	doi	doi	NOUN
admet-835	665	21	:	:	PUNCT
admet-835	665	22	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	665	23	241	241	NUM
admet-835	665	24	figure	figure	NOUN
admet-835	665	25	a4	a4	NOUN
admet-835	665	26	.	.	PUNCT
admet-835	666	1	random	random	ADJ
admet-835	666	2	forest	forest	NOUN
admet-835	666	3	predictions	prediction	NOUN
admet-835	666	4	plotted	plot	VERB
admet-835	666	5	against	against	ADP
admet-835	666	6	our	our	PRON
admet-835	666	7	sourced	source	VERB
admet-835	666	8	literature	literature	NOUN
admet-835	666	9	log	log	NOUN
admet-835	666	10	s	s	PART
admet-835	666	11	values	value	NOUN
admet-835	666	12	(	(	PUNCT
admet-835	666	13	see	see	VERB
admet-835	666	14	table	table	NOUN
admet-835	666	15	a2	a2	PROPN
admet-835	666	16	for	for	ADP
admet-835	666	17	references	reference	NOUN
admet-835	666	18	)	)	PUNCT
admet-835	666	19	for	for	ADP
admet-835	666	20	26	26	NUM
admet-835	666	21	compounds	compound	NOUN
admet-835	666	22	from	from	ADP
admet-835	666	23	the	the	DET
admet-835	666	24	2019	2019	NUM
admet-835	666	25	solubility	solubility	NOUN
admet-835	666	26	challenge	challenge	NOUN
admet-835	666	27	loose	loose	ADJ
admet-835	666	28	test	test	NOUN
admet-835	666	29	set	set	NOUN
admet-835	666	30	of	of	ADP
admet-835	666	31	32	32	NUM
admet-835	666	32	molecules	molecule	NOUN
admet-835	666	33	.	.	PUNCT
admet-835	667	1	compounds	compound	NOUN
admet-835	667	2	with	with	ADP
admet-835	667	3	prediction	prediction	NOUN
admet-835	667	4	errors	error	NOUN
admet-835	667	5	of	of	ADP
admet-835	667	6	under	under	ADP
admet-835	667	7	0.5	0.5	NUM
admet-835	667	8	(	(	PUNCT
admet-835	667	9	blue	blue	NOUN
admet-835	667	10	)	)	PUNCT
admet-835	667	11	,	,	PUNCT
admet-835	667	12	0.5	0.5	NUM
admet-835	667	13	to	to	PART
admet-835	667	14	1.0	1.0	NUM
admet-835	667	15	(	(	PUNCT
admet-835	667	16	green	green	NOUN
admet-835	667	17	)	)	PUNCT
admet-835	667	18	,	,	PUNCT
admet-835	667	19	1.0	1.0	NUM
admet-835	667	20	to	to	ADP
admet-835	667	21	2.0	2.0	NUM
admet-835	667	22	(	(	PUNCT
admet-835	667	23	orange	orange	PROPN
admet-835	667	24	)	)	PUNCT
admet-835	667	25	,	,	PUNCT
admet-835	667	26	and	and	CCONJ
admet-835	667	27	over	over	ADP
admet-835	667	28	2.0	2.0	NUM
admet-835	667	29	logs	log	NOUN
admet-835	667	30	units	unit	NOUN
admet-835	667	31	(	(	PUNCT
admet-835	667	32	red	red	ADJ
admet-835	667	33	)	)	PUNCT
admet-835	667	34	are	be	AUX
admet-835	667	35	shown	show	VERB
admet-835	667	36	in	in	ADP
admet-835	667	37	their	their	PRON
admet-835	667	38	respective	respective	ADJ
admet-835	667	39	colours	colour	NOUN
admet-835	667	40	.	.	PUNCT
admet-835	668	1	the	the	DET
admet-835	668	2	black	black	ADJ
admet-835	668	3	diagonal	diagonal	ADJ
admet-835	668	4	line	line	NOUN
admet-835	668	5	shows	show	VERB
admet-835	668	6	equality	equality	NOUN
admet-835	668	7	of	of	ADP
admet-835	668	8	predicted	predict	VERB
admet-835	668	9	and	and	CCONJ
admet-835	668	10	experimental	experimental	ADJ
admet-835	668	11	solubilities	solubility	NOUN
admet-835	668	12	,	,	PUNCT
admet-835	668	13	while	while	SCONJ
admet-835	668	14	the	the	DET
admet-835	668	15	grey	grey	ADJ
admet-835	668	16	line	line	NOUN
admet-835	668	17	is	be	AUX
admet-835	668	18	a	a	DET
admet-835	668	19	line	line	NOUN
admet-835	668	20	of	of	ADP
admet-835	668	21	best	good	ADJ
admet-835	668	22	fit	fit	ADJ
admet-835	668	23	to	to	ADP
admet-835	668	24	the	the	DET
admet-835	668	25	data	datum	NOUN
admet-835	668	26	.	.	PUNCT
admet-835	669	1	the	the	DET
admet-835	669	2	large	large	ADJ
admet-835	669	3	outlier	outlier	NOUN
admet-835	669	4	is	be	AUX
admet-835	669	5	bisoprolol	bisoprolol	NOUN
admet-835	669	6	,	,	PUNCT
admet-835	669	7	as	as	SCONJ
admet-835	669	8	discussed	discuss	VERB
admet-835	669	9	in	in	ADP
admet-835	669	10	the	the	DET
admet-835	669	11	text	text	NOUN
admet-835	669	12	.	.	PUNCT
admet-835	670	1	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	PROPN
admet-835	670	2	john	john	PROPN
admet-835	670	3	b.	b.	PROPN
admet-835	670	4	o.	o.	PROPN
admet-835	670	5	mitchell	mitchell	PROPN
admet-835	670	6	admet	admet	PROPN
admet-835	670	7	&	&	CCONJ
admet-835	670	8	dmpk	dmpk	PROPN
admet-835	670	9	8(3	8(3	NUM
admet-835	670	10	)	)	PUNCT
admet-835	670	11	(	(	PUNCT
admet-835	670	12	2020	2020	NUM
admet-835	670	13	)	)	PUNCT
admet-835	670	14	215	215	NUM
admet-835	670	15	-	-	SYM
admet-835	670	16	250	250	NUM
admet-835	670	17	242	242	NUM
admet-835	670	18	figure	figure	NOUN
admet-835	670	19	a5	a5	PROPN
admet-835	670	20	.	.	PUNCT
admet-835	671	1	vox	vox	PROPN
admet-835	671	2	machinarum	machinarum	PROPN
admet-835	671	3	predictions	prediction	NOUN
admet-835	671	4	plotted	plot	VERB
admet-835	671	5	against	against	ADP
admet-835	671	6	our	our	PRON
admet-835	671	7	sourced	source	VERB
admet-835	671	8	literature	literature	NOUN
admet-835	671	9	log	log	NOUN
admet-835	671	10	s	s	PART
admet-835	671	11	values	value	NOUN
admet-835	671	12	(	(	PUNCT
admet-835	671	13	see	see	VERB
admet-835	671	14	table	table	NOUN
admet-835	671	15	a2	a2	PROPN
admet-835	671	16	for	for	ADP
admet-835	671	17	references	reference	NOUN
admet-835	671	18	)	)	PUNCT
admet-835	671	19	for	for	ADP
admet-835	671	20	26	26	NUM
admet-835	671	21	compounds	compound	NOUN
admet-835	671	22	from	from	ADP
admet-835	671	23	the	the	DET
admet-835	671	24	2019	2019	NUM
admet-835	671	25	solubility	solubility	NOUN
admet-835	671	26	challenge	challenge	NOUN
admet-835	671	27	loose	loose	ADJ
admet-835	671	28	test	test	NOUN
admet-835	671	29	set	set	NOUN
admet-835	671	30	of	of	ADP
admet-835	671	31	32	32	NUM
admet-835	671	32	molecules	molecule	NOUN
admet-835	671	33	.	.	PUNCT
admet-835	672	1	compounds	compound	NOUN
admet-835	672	2	with	with	ADP
admet-835	672	3	prediction	prediction	NOUN
admet-835	672	4	errors	error	NOUN
admet-835	672	5	of	of	ADP
admet-835	672	6	under	under	ADP
admet-835	672	7	0.5	0.5	NUM
admet-835	672	8	(	(	PUNCT
admet-835	672	9	blue	blue	NOUN
admet-835	672	10	)	)	PUNCT
admet-835	672	11	,	,	PUNCT
admet-835	672	12	0.5	0.5	NUM
admet-835	672	13	to	to	PART
admet-835	672	14	1.0	1.0	NUM
admet-835	672	15	(	(	PUNCT
admet-835	672	16	green	green	NOUN
admet-835	672	17	)	)	PUNCT
admet-835	672	18	,	,	PUNCT
admet-835	672	19	1.0	1.0	NUM
admet-835	672	20	to	to	ADP
admet-835	672	21	2.0	2.0	NUM
admet-835	672	22	(	(	PUNCT
admet-835	672	23	orange	orange	PROPN
admet-835	672	24	)	)	PUNCT
admet-835	672	25	,	,	PUNCT
admet-835	672	26	and	and	CCONJ
admet-835	672	27	over	over	ADP
admet-835	672	28	2.0	2.0	NUM
admet-835	672	29	logs	log	NOUN
admet-835	672	30	units	unit	NOUN
admet-835	672	31	(	(	PUNCT
admet-835	672	32	red	red	ADJ
admet-835	672	33	)	)	PUNCT
admet-835	672	34	are	be	AUX
admet-835	672	35	shown	show	VERB
admet-835	672	36	in	in	ADP
admet-835	672	37	their	their	PRON
admet-835	672	38	respective	respective	ADJ
admet-835	672	39	colours	colour	NOUN
admet-835	672	40	.	.	PUNCT
admet-835	673	1	the	the	DET
admet-835	673	2	black	black	ADJ
admet-835	673	3	diagonal	diagonal	ADJ
admet-835	673	4	line	line	NOUN
admet-835	673	5	shows	show	VERB
admet-835	673	6	equality	equality	NOUN
admet-835	673	7	of	of	ADP
admet-835	673	8	predicted	predict	VERB
admet-835	673	9	and	and	CCONJ
admet-835	673	10	experimental	experimental	ADJ
admet-835	673	11	solubilities	solubility	NOUN
admet-835	673	12	,	,	PUNCT
admet-835	673	13	while	while	SCONJ
admet-835	673	14	the	the	DET
admet-835	673	15	grey	grey	ADJ
admet-835	673	16	line	line	NOUN
admet-835	673	17	is	be	AUX
admet-835	673	18	a	a	DET
admet-835	673	19	line	line	NOUN
admet-835	673	20	of	of	ADP
admet-835	673	21	best	good	ADJ
admet-835	673	22	fit	fit	ADJ
admet-835	673	23	to	to	ADP
admet-835	673	24	the	the	DET
admet-835	673	25	data	datum	NOUN
admet-835	673	26	.	.	PUNCT
admet-835	674	1	the	the	DET
admet-835	674	2	large	large	ADJ
admet-835	674	3	outlier	outlier	NOUN
admet-835	674	4	is	be	AUX
admet-835	674	5	bisoprolol	bisoprolol	NOUN
admet-835	674	6	,	,	PUNCT
admet-835	674	7	as	as	SCONJ
admet-835	674	8	discussed	discuss	VERB
admet-835	674	9	in	in	ADP
admet-835	674	10	the	the	DET
admet-835	674	11	text	text	NOUN
admet-835	674	12	.	.	PUNCT
admet-835	675	1	admet	admet	PROPN
admet-835	675	2	&	&	CCONJ
admet-835	675	3	dmpk	dmpk	PROPN
admet-835	675	4	8(3	8(3	NUM
admet-835	675	5	)	)	PUNCT
admet-835	675	6	(	(	PUNCT
admet-835	675	7	2020	2020	NUM
admet-835	675	8	)	)	PUNCT
admet-835	675	9	215	215	NUM
admet-835	675	10	-	-	SYM
admet-835	675	11	250	250	NUM
admet-835	675	12	machine	machine	NOUN
admet-835	675	13	learning	learning	NOUN
admet-835	675	14	models	model	NOUN
admet-835	675	15	for	for	ADP
admet-835	675	16	the	the	DET
admet-835	675	17	2019	2019	NUM
admet-835	675	18	solubility	solubility	NOUN
admet-835	675	19	challenge	challenge	NOUN
admet-835	675	20	doi	doi	NOUN
admet-835	675	21	:	:	PUNCT
admet-835	675	22	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	675	23	243	243	NUM
admet-835	675	24	figure	figure	NOUN
admet-835	675	25	a6	a6	NOUN
admet-835	675	26	.	.	PUNCT
admet-835	676	1	bagging	bag	VERB
admet-835	676	2	predictions	prediction	NOUN
admet-835	676	3	plotted	plot	VERB
admet-835	676	4	against	against	ADP
admet-835	676	5	our	our	PRON
admet-835	676	6	sourced	source	VERB
admet-835	676	7	literature	literature	NOUN
admet-835	676	8	log	log	NOUN
admet-835	676	9	s	s	PART
admet-835	676	10	values	value	NOUN
admet-835	676	11	(	(	PUNCT
admet-835	676	12	see	see	VERB
admet-835	676	13	table	table	NOUN
admet-835	676	14	a2	a2	PROPN
admet-835	676	15	for	for	ADP
admet-835	676	16	references	reference	NOUN
admet-835	676	17	)	)	PUNCT
admet-835	676	18	for	for	ADP
admet-835	676	19	26	26	NUM
admet-835	676	20	compounds	compound	NOUN
admet-835	676	21	from	from	ADP
admet-835	676	22	the	the	DET
admet-835	676	23	2019	2019	NUM
admet-835	676	24	solubility	solubility	NOUN
admet-835	676	25	challenge	challenge	NOUN
admet-835	676	26	loose	loose	ADJ
admet-835	676	27	test	test	NOUN
admet-835	676	28	set	set	NOUN
admet-835	676	29	of	of	ADP
admet-835	676	30	32	32	NUM
admet-835	676	31	molecules	molecule	NOUN
admet-835	676	32	.	.	PUNCT
admet-835	677	1	compounds	compound	NOUN
admet-835	677	2	with	with	ADP
admet-835	677	3	prediction	prediction	NOUN
admet-835	677	4	errors	error	NOUN
admet-835	677	5	of	of	ADP
admet-835	677	6	under	under	ADP
admet-835	677	7	0.5	0.5	NUM
admet-835	677	8	(	(	PUNCT
admet-835	677	9	blue	blue	NOUN
admet-835	677	10	)	)	PUNCT
admet-835	677	11	,	,	PUNCT
admet-835	677	12	0.5	0.5	NUM
admet-835	677	13	to	to	PART
admet-835	677	14	1.0	1.0	NUM
admet-835	677	15	(	(	PUNCT
admet-835	677	16	green	green	NOUN
admet-835	677	17	)	)	PUNCT
admet-835	677	18	,	,	PUNCT
admet-835	677	19	1.0	1.0	NUM
admet-835	677	20	to	to	ADP
admet-835	677	21	2.0	2.0	NUM
admet-835	677	22	(	(	PUNCT
admet-835	677	23	orange	orange	PROPN
admet-835	677	24	)	)	PUNCT
admet-835	677	25	,	,	PUNCT
admet-835	677	26	and	and	CCONJ
admet-835	677	27	over	over	ADP
admet-835	677	28	2.0	2.0	NUM
admet-835	677	29	logs	log	NOUN
admet-835	677	30	units	unit	NOUN
admet-835	677	31	(	(	PUNCT
admet-835	677	32	red	red	ADJ
admet-835	677	33	)	)	PUNCT
admet-835	677	34	are	be	AUX
admet-835	677	35	shown	show	VERB
admet-835	677	36	in	in	ADP
admet-835	677	37	their	their	PRON
admet-835	677	38	respective	respective	ADJ
admet-835	677	39	colours	colour	NOUN
admet-835	677	40	.	.	PUNCT
admet-835	678	1	the	the	DET
admet-835	678	2	black	black	ADJ
admet-835	678	3	diagonal	diagonal	ADJ
admet-835	678	4	line	line	NOUN
admet-835	678	5	shows	show	VERB
admet-835	678	6	equality	equality	NOUN
admet-835	678	7	of	of	ADP
admet-835	678	8	predicted	predict	VERB
admet-835	678	9	and	and	CCONJ
admet-835	678	10	experimental	experimental	ADJ
admet-835	678	11	solubilities	solubility	NOUN
admet-835	678	12	,	,	PUNCT
admet-835	678	13	while	while	SCONJ
admet-835	678	14	the	the	DET
admet-835	678	15	grey	grey	ADJ
admet-835	678	16	line	line	NOUN
admet-835	678	17	is	be	AUX
admet-835	678	18	a	a	DET
admet-835	678	19	line	line	NOUN
admet-835	678	20	of	of	ADP
admet-835	678	21	best	good	ADJ
admet-835	678	22	fit	fit	ADJ
admet-835	678	23	to	to	ADP
admet-835	678	24	the	the	DET
admet-835	678	25	data	datum	NOUN
admet-835	678	26	.	.	PUNCT
admet-835	679	1	the	the	DET
admet-835	679	2	large	large	ADJ
admet-835	679	3	outlier	outlier	NOUN
admet-835	679	4	is	be	AUX
admet-835	679	5	bisoprolol	bisoprolol	NOUN
admet-835	679	6	,	,	PUNCT
admet-835	679	7	as	as	SCONJ
admet-835	679	8	discussed	discuss	VERB
admet-835	679	9	in	in	ADP
admet-835	679	10	the	the	DET
admet-835	679	11	text	text	NOUN
admet-835	679	12	.	.	PUNCT
admet-835	680	1	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	PROPN
admet-835	680	2	john	john	PROPN
admet-835	680	3	b.	b.	PROPN
admet-835	680	4	o.	o.	PROPN
admet-835	680	5	mitchell	mitchell	PROPN
admet-835	680	6	admet	admet	PROPN
admet-835	680	7	&	&	CCONJ
admet-835	680	8	dmpk	dmpk	PROPN
admet-835	680	9	8(3	8(3	NUM
admet-835	680	10	)	)	PUNCT
admet-835	680	11	(	(	PUNCT
admet-835	680	12	2020	2020	NUM
admet-835	680	13	)	)	PUNCT
admet-835	680	14	215	215	NUM
admet-835	680	15	-	-	SYM
admet-835	680	16	250	250	NUM
admet-835	680	17	244	244	NUM
admet-835	680	18	figure	figure	NOUN
admet-835	680	19	a7	a7	VERB
admet-835	680	20	.	.	PUNCT
admet-835	681	1	random	random	ADJ
admet-835	681	2	forest	forest	NOUN
admet-835	681	3	predictions	prediction	NOUN
admet-835	681	4	plotted	plot	VERB
admet-835	681	5	against	against	ADP
admet-835	681	6	avdeef	avdeef	PROPN
admet-835	681	7	’s	’s	PART
admet-835	681	8	average	average	ADJ
admet-835	681	9	log	log	NOUN
admet-835	681	10	s	s	PART
admet-835	681	11	values	value	NOUN
admet-835	681	12	[	[	X
admet-835	681	13	45	45	NUM
admet-835	681	14	]	]	PUNCT
admet-835	681	15	for	for	ADP
admet-835	681	16	the	the	DET
admet-835	681	17	2019	2019	NUM
admet-835	681	18	solubility	solubility	NOUN
admet-835	681	19	challenge	challenge	VERB
admet-835	681	20	tight	tight	ADJ
admet-835	681	21	test	test	NOUN
admet-835	681	22	set	set	NOUN
admet-835	681	23	of	of	ADP
admet-835	681	24	100	100	NUM
admet-835	681	25	molecules	molecule	NOUN
admet-835	681	26	.	.	PUNCT
admet-835	682	1	compounds	compound	NOUN
admet-835	682	2	with	with	ADP
admet-835	682	3	prediction	prediction	NOUN
admet-835	682	4	errors	error	NOUN
admet-835	682	5	of	of	ADP
admet-835	682	6	under	under	ADP
admet-835	682	7	0.5	0.5	NUM
admet-835	682	8	(	(	PUNCT
admet-835	682	9	blue	blue	NOUN
admet-835	682	10	)	)	PUNCT
admet-835	682	11	,	,	PUNCT
admet-835	682	12	0.5	0.5	NUM
admet-835	682	13	to	to	PART
admet-835	682	14	1.0	1.0	NUM
admet-835	682	15	(	(	PUNCT
admet-835	682	16	green	green	NOUN
admet-835	682	17	)	)	PUNCT
admet-835	682	18	,	,	PUNCT
admet-835	682	19	1.0	1.0	NUM
admet-835	682	20	to	to	ADP
admet-835	682	21	2.0	2.0	NUM
admet-835	682	22	(	(	PUNCT
admet-835	682	23	orange	orange	PROPN
admet-835	682	24	)	)	PUNCT
admet-835	682	25	,	,	PUNCT
admet-835	682	26	and	and	CCONJ
admet-835	682	27	over	over	ADP
admet-835	682	28	2.0	2.0	NUM
admet-835	682	29	logs	log	NOUN
admet-835	682	30	units	unit	NOUN
admet-835	682	31	(	(	PUNCT
admet-835	682	32	red	red	ADJ
admet-835	682	33	)	)	PUNCT
admet-835	682	34	are	be	AUX
admet-835	682	35	shown	show	VERB
admet-835	682	36	in	in	ADP
admet-835	682	37	their	their	PRON
admet-835	682	38	respective	respective	ADJ
admet-835	682	39	colours	colour	NOUN
admet-835	682	40	.	.	PUNCT
admet-835	683	1	the	the	DET
admet-835	683	2	black	black	ADJ
admet-835	683	3	diagonal	diagonal	ADJ
admet-835	683	4	line	line	NOUN
admet-835	683	5	shows	show	VERB
admet-835	683	6	equality	equality	NOUN
admet-835	683	7	of	of	ADP
admet-835	683	8	predicted	predict	VERB
admet-835	683	9	and	and	CCONJ
admet-835	683	10	experimental	experimental	ADJ
admet-835	683	11	solubilities	solubility	NOUN
admet-835	683	12	,	,	PUNCT
admet-835	683	13	while	while	SCONJ
admet-835	683	14	the	the	DET
admet-835	683	15	grey	grey	ADJ
admet-835	683	16	line	line	NOUN
admet-835	683	17	is	be	AUX
admet-835	683	18	a	a	DET
admet-835	683	19	line	line	NOUN
admet-835	683	20	of	of	ADP
admet-835	683	21	best	good	ADJ
admet-835	683	22	fit	fit	ADJ
admet-835	683	23	to	to	ADP
admet-835	683	24	the	the	DET
admet-835	683	25	data	datum	NOUN
admet-835	683	26	.	.	PUNCT
admet-835	684	1	admet	admet	PROPN
admet-835	684	2	&	&	CCONJ
admet-835	684	3	dmpk	dmpk	PROPN
admet-835	684	4	8(3	8(3	NUM
admet-835	684	5	)	)	PUNCT
admet-835	684	6	(	(	PUNCT
admet-835	684	7	2020	2020	NUM
admet-835	684	8	)	)	PUNCT
admet-835	684	9	215	215	NUM
admet-835	684	10	-	-	SYM
admet-835	684	11	250	250	NUM
admet-835	684	12	machine	machine	NOUN
admet-835	684	13	learning	learning	NOUN
admet-835	684	14	models	model	NOUN
admet-835	684	15	for	for	ADP
admet-835	684	16	the	the	DET
admet-835	684	17	2019	2019	NUM
admet-835	684	18	solubility	solubility	NOUN
admet-835	684	19	challenge	challenge	NOUN
admet-835	684	20	doi	doi	NOUN
admet-835	684	21	:	:	PUNCT
admet-835	684	22	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	684	23	245	245	NUM
admet-835	684	24	figure	figure	NOUN
admet-835	684	25	a8	a8	PROPN
admet-835	684	26	.	.	PUNCT
admet-835	685	1	vox	vox	PROPN
admet-835	685	2	machinarum	machinarum	PROPN
admet-835	685	3	predictions	prediction	NOUN
admet-835	685	4	plotted	plot	VERB
admet-835	685	5	against	against	ADP
admet-835	685	6	avdeef	avdeef	PROPN
admet-835	685	7	’s	’s	PART
admet-835	685	8	average	average	ADJ
admet-835	685	9	log	log	NOUN
admet-835	685	10	s	s	PART
admet-835	685	11	values	value	NOUN
admet-835	685	12	[	[	X
admet-835	685	13	45	45	NUM
admet-835	685	14	]	]	PUNCT
admet-835	685	15	for	for	ADP
admet-835	685	16	the	the	DET
admet-835	685	17	2019	2019	NUM
admet-835	685	18	solubility	solubility	NOUN
admet-835	685	19	challenge	challenge	NOUN
admet-835	685	20	‘	'	PUNCT
admet-835	685	21	tight	tight	ADJ
admet-835	685	22	’	'	PUNCT
admet-835	685	23	test	test	NOUN
admet-835	685	24	set	set	NOUN
admet-835	685	25	of	of	ADP
admet-835	685	26	100	100	NUM
admet-835	685	27	molecules	molecule	NOUN
admet-835	685	28	.	.	PUNCT
admet-835	686	1	compounds	compound	NOUN
admet-835	686	2	with	with	ADP
admet-835	686	3	prediction	prediction	NOUN
admet-835	686	4	errors	error	NOUN
admet-835	686	5	of	of	ADP
admet-835	686	6	under	under	ADP
admet-835	686	7	0.5	0.5	NUM
admet-835	686	8	(	(	PUNCT
admet-835	686	9	blue	blue	NOUN
admet-835	686	10	)	)	PUNCT
admet-835	686	11	,	,	PUNCT
admet-835	686	12	0.5	0.5	NUM
admet-835	686	13	to	to	PART
admet-835	686	14	1.0	1.0	NUM
admet-835	686	15	(	(	PUNCT
admet-835	686	16	green	green	NOUN
admet-835	686	17	)	)	PUNCT
admet-835	686	18	,	,	PUNCT
admet-835	686	19	1.0	1.0	NUM
admet-835	686	20	to	to	ADP
admet-835	686	21	2.0	2.0	NUM
admet-835	686	22	(	(	PUNCT
admet-835	686	23	orange	orange	PROPN
admet-835	686	24	)	)	PUNCT
admet-835	686	25	,	,	PUNCT
admet-835	686	26	and	and	CCONJ
admet-835	686	27	over	over	ADP
admet-835	686	28	2.0	2.0	NUM
admet-835	686	29	logs	log	NOUN
admet-835	686	30	units	unit	NOUN
admet-835	686	31	(	(	PUNCT
admet-835	686	32	red	red	ADJ
admet-835	686	33	)	)	PUNCT
admet-835	686	34	are	be	AUX
admet-835	686	35	shown	show	VERB
admet-835	686	36	in	in	ADP
admet-835	686	37	their	their	PRON
admet-835	686	38	respective	respective	ADJ
admet-835	686	39	colours	colour	NOUN
admet-835	686	40	.	.	PUNCT
admet-835	687	1	the	the	DET
admet-835	687	2	black	black	ADJ
admet-835	687	3	diagonal	diagonal	ADJ
admet-835	687	4	line	line	NOUN
admet-835	687	5	shows	show	VERB
admet-835	687	6	equality	equality	NOUN
admet-835	687	7	of	of	ADP
admet-835	687	8	predicted	predict	VERB
admet-835	687	9	and	and	CCONJ
admet-835	687	10	experimental	experimental	ADJ
admet-835	687	11	solubilities	solubility	NOUN
admet-835	687	12	,	,	PUNCT
admet-835	687	13	while	while	SCONJ
admet-835	687	14	the	the	DET
admet-835	687	15	grey	grey	ADJ
admet-835	687	16	line	line	NOUN
admet-835	687	17	is	be	AUX
admet-835	687	18	a	a	DET
admet-835	687	19	line	line	NOUN
admet-835	687	20	of	of	ADP
admet-835	687	21	best	good	ADJ
admet-835	687	22	fit	fit	ADJ
admet-835	687	23	to	to	ADP
admet-835	687	24	the	the	DET
admet-835	687	25	data	datum	NOUN
admet-835	687	26	.	.	PUNCT
admet-835	688	1	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	PROPN
admet-835	688	2	john	john	PROPN
admet-835	688	3	b.	b.	PROPN
admet-835	688	4	o.	o.	PROPN
admet-835	688	5	mitchell	mitchell	PROPN
admet-835	688	6	admet	admet	PROPN
admet-835	688	7	&	&	CCONJ
admet-835	688	8	dmpk	dmpk	PROPN
admet-835	688	9	8(3	8(3	NUM
admet-835	688	10	)	)	PUNCT
admet-835	688	11	(	(	PUNCT
admet-835	688	12	2020	2020	NUM
admet-835	688	13	)	)	PUNCT
admet-835	688	14	215	215	NUM
admet-835	688	15	-	-	SYM
admet-835	688	16	250	250	NUM
admet-835	688	17	246	246	NUM
admet-835	688	18	figure	figure	NOUN
admet-835	688	19	a9	a9	NOUN
admet-835	688	20	.	.	PUNCT
admet-835	689	1	bagging	bag	VERB
admet-835	689	2	predictions	prediction	NOUN
admet-835	689	3	plotted	plot	VERB
admet-835	689	4	against	against	ADP
admet-835	689	5	avdeef	avdeef	PROPN
admet-835	689	6	’s	’s	PART
admet-835	689	7	average	average	ADJ
admet-835	689	8	log	log	NOUN
admet-835	689	9	s	s	PART
admet-835	689	10	values	value	NOUN
admet-835	689	11	[	[	X
admet-835	689	12	45	45	NUM
admet-835	689	13	]	]	PUNCT
admet-835	689	14	for	for	ADP
admet-835	689	15	the	the	DET
admet-835	689	16	2019	2019	NUM
admet-835	689	17	solubility	solubility	NOUN
admet-835	689	18	challenge	challenge	VERB
admet-835	689	19	tight	tight	ADJ
admet-835	689	20	test	test	NOUN
admet-835	689	21	set	set	NOUN
admet-835	689	22	of	of	ADP
admet-835	689	23	100	100	NUM
admet-835	689	24	molecules	molecule	NOUN
admet-835	689	25	.	.	PUNCT
admet-835	690	1	compounds	compound	NOUN
admet-835	690	2	with	with	ADP
admet-835	690	3	prediction	prediction	NOUN
admet-835	690	4	errors	error	NOUN
admet-835	690	5	of	of	ADP
admet-835	690	6	under	under	ADP
admet-835	690	7	0.5	0.5	NUM
admet-835	690	8	(	(	PUNCT
admet-835	690	9	blue	blue	NOUN
admet-835	690	10	)	)	PUNCT
admet-835	690	11	,	,	PUNCT
admet-835	690	12	0.5	0.5	NUM
admet-835	690	13	to	to	PART
admet-835	690	14	1.0	1.0	NUM
admet-835	690	15	(	(	PUNCT
admet-835	690	16	green	green	NOUN
admet-835	690	17	)	)	PUNCT
admet-835	690	18	,	,	PUNCT
admet-835	690	19	1.0	1.0	NUM
admet-835	690	20	to	to	ADP
admet-835	690	21	2.0	2.0	NUM
admet-835	690	22	(	(	PUNCT
admet-835	690	23	orange	orange	PROPN
admet-835	690	24	)	)	PUNCT
admet-835	690	25	,	,	PUNCT
admet-835	690	26	and	and	CCONJ
admet-835	690	27	over	over	ADP
admet-835	690	28	2.0	2.0	NUM
admet-835	690	29	logs	log	NOUN
admet-835	690	30	units	unit	NOUN
admet-835	690	31	(	(	PUNCT
admet-835	690	32	red	red	ADJ
admet-835	690	33	)	)	PUNCT
admet-835	690	34	are	be	AUX
admet-835	690	35	shown	show	VERB
admet-835	690	36	in	in	ADP
admet-835	690	37	their	their	PRON
admet-835	690	38	respective	respective	ADJ
admet-835	690	39	colours	colour	NOUN
admet-835	690	40	.	.	PUNCT
admet-835	691	1	the	the	DET
admet-835	691	2	black	black	ADJ
admet-835	691	3	diagonal	diagonal	ADJ
admet-835	691	4	line	line	NOUN
admet-835	691	5	shows	show	VERB
admet-835	691	6	equality	equality	NOUN
admet-835	691	7	of	of	ADP
admet-835	691	8	predicted	predict	VERB
admet-835	691	9	and	and	CCONJ
admet-835	691	10	experimental	experimental	ADJ
admet-835	691	11	solubilities	solubility	NOUN
admet-835	691	12	,	,	PUNCT
admet-835	691	13	while	while	SCONJ
admet-835	691	14	the	the	DET
admet-835	691	15	grey	grey	ADJ
admet-835	691	16	line	line	NOUN
admet-835	691	17	is	be	AUX
admet-835	691	18	a	a	DET
admet-835	691	19	line	line	NOUN
admet-835	691	20	of	of	ADP
admet-835	691	21	best	good	ADJ
admet-835	691	22	fit	fit	ADJ
admet-835	691	23	to	to	ADP
admet-835	691	24	the	the	DET
admet-835	691	25	data	datum	NOUN
admet-835	691	26	.	.	PUNCT
admet-835	692	1	admet	admet	PROPN
admet-835	692	2	&	&	CCONJ
admet-835	692	3	dmpk	dmpk	PROPN
admet-835	692	4	8(3	8(3	NUM
admet-835	692	5	)	)	PUNCT
admet-835	692	6	(	(	PUNCT
admet-835	692	7	2020	2020	NUM
admet-835	692	8	)	)	PUNCT
admet-835	692	9	215	215	NUM
admet-835	692	10	-	-	SYM
admet-835	692	11	250	250	NUM
admet-835	692	12	machine	machine	NOUN
admet-835	692	13	learning	learning	NOUN
admet-835	692	14	models	model	NOUN
admet-835	692	15	for	for	ADP
admet-835	692	16	the	the	DET
admet-835	692	17	2019	2019	NUM
admet-835	692	18	solubility	solubility	NOUN
admet-835	692	19	challenge	challenge	NOUN
admet-835	692	20	doi	doi	NOUN
admet-835	692	21	:	:	PUNCT
admet-835	692	22	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	692	23	247	247	NUM
admet-835	692	24	figure	figure	NOUN
admet-835	692	25	a10	a10	NOUN
admet-835	692	26	.	.	PUNCT
admet-835	693	1	random	random	ADJ
admet-835	693	2	forest	forest	NOUN
admet-835	693	3	predictions	prediction	NOUN
admet-835	693	4	plotted	plot	VERB
admet-835	693	5	against	against	ADP
admet-835	693	6	avdeef	avdeef	PROPN
admet-835	693	7	’s	’s	PART
admet-835	693	8	average	average	ADJ
admet-835	693	9	log	log	NOUN
admet-835	693	10	s	s	PART
admet-835	693	11	values	value	NOUN
admet-835	693	12	[	[	X
admet-835	693	13	45	45	NUM
admet-835	693	14	]	]	PUNCT
admet-835	693	15	for	for	ADP
admet-835	693	16	the	the	DET
admet-835	693	17	2019	2019	NUM
admet-835	693	18	solubility	solubility	NOUN
admet-835	693	19	challenge	challenge	NOUN
admet-835	693	20	loose	loose	ADJ
admet-835	693	21	test	test	NOUN
admet-835	693	22	set	set	NOUN
admet-835	693	23	of	of	ADP
admet-835	693	24	32	32	NUM
admet-835	693	25	molecules	molecule	NOUN
admet-835	693	26	.	.	PUNCT
admet-835	694	1	compounds	compound	NOUN
admet-835	694	2	with	with	ADP
admet-835	694	3	prediction	prediction	NOUN
admet-835	694	4	errors	error	NOUN
admet-835	694	5	of	of	ADP
admet-835	694	6	under	under	ADP
admet-835	694	7	0.5	0.5	NUM
admet-835	694	8	(	(	PUNCT
admet-835	694	9	blue	blue	NOUN
admet-835	694	10	)	)	PUNCT
admet-835	694	11	,	,	PUNCT
admet-835	694	12	0.5	0.5	NUM
admet-835	694	13	to	to	PART
admet-835	694	14	1.0	1.0	NUM
admet-835	694	15	(	(	PUNCT
admet-835	694	16	green	green	NOUN
admet-835	694	17	)	)	PUNCT
admet-835	694	18	,	,	PUNCT
admet-835	694	19	1.0	1.0	NUM
admet-835	694	20	to	to	ADP
admet-835	694	21	2.0	2.0	NUM
admet-835	694	22	(	(	PUNCT
admet-835	694	23	orange	orange	PROPN
admet-835	694	24	)	)	PUNCT
admet-835	694	25	,	,	PUNCT
admet-835	694	26	and	and	CCONJ
admet-835	694	27	over	over	ADP
admet-835	694	28	2.0	2.0	NUM
admet-835	694	29	logs	log	NOUN
admet-835	694	30	units	unit	NOUN
admet-835	694	31	(	(	PUNCT
admet-835	694	32	red	red	ADJ
admet-835	694	33	)	)	PUNCT
admet-835	694	34	are	be	AUX
admet-835	694	35	shown	show	VERB
admet-835	694	36	in	in	ADP
admet-835	694	37	their	their	PRON
admet-835	694	38	respective	respective	ADJ
admet-835	694	39	colours	colour	NOUN
admet-835	694	40	.	.	PUNCT
admet-835	695	1	the	the	DET
admet-835	695	2	black	black	ADJ
admet-835	695	3	diagonal	diagonal	ADJ
admet-835	695	4	line	line	NOUN
admet-835	695	5	shows	show	VERB
admet-835	695	6	equality	equality	NOUN
admet-835	695	7	of	of	ADP
admet-835	695	8	predicted	predict	VERB
admet-835	695	9	and	and	CCONJ
admet-835	695	10	experimental	experimental	ADJ
admet-835	695	11	solubilities	solubility	NOUN
admet-835	695	12	,	,	PUNCT
admet-835	695	13	while	while	SCONJ
admet-835	695	14	the	the	DET
admet-835	695	15	grey	grey	ADJ
admet-835	695	16	line	line	NOUN
admet-835	695	17	is	be	AUX
admet-835	695	18	a	a	DET
admet-835	695	19	line	line	NOUN
admet-835	695	20	of	of	ADP
admet-835	695	21	best	good	ADJ
admet-835	695	22	fit	fit	ADJ
admet-835	695	23	to	to	ADP
admet-835	695	24	the	the	DET
admet-835	695	25	data	datum	NOUN
admet-835	695	26	.	.	PUNCT
admet-835	696	1	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	PROPN
admet-835	696	2	john	john	PROPN
admet-835	696	3	b.	b.	PROPN
admet-835	696	4	o.	o.	PROPN
admet-835	696	5	mitchell	mitchell	PROPN
admet-835	696	6	admet	admet	PROPN
admet-835	696	7	&	&	CCONJ
admet-835	696	8	dmpk	dmpk	PROPN
admet-835	696	9	8(3	8(3	NUM
admet-835	696	10	)	)	PUNCT
admet-835	696	11	(	(	PUNCT
admet-835	696	12	2020	2020	NUM
admet-835	696	13	)	)	PUNCT
admet-835	696	14	215	215	NUM
admet-835	696	15	-	-	SYM
admet-835	696	16	250	250	NUM
admet-835	696	17	248	248	NUM
admet-835	696	18	figure	figure	NOUN
admet-835	696	19	a11	a11	PROPN
admet-835	696	20	.	.	PUNCT
admet-835	697	1	vox	vox	PROPN
admet-835	697	2	machinarum	machinarum	PROPN
admet-835	697	3	predictions	prediction	NOUN
admet-835	697	4	plotted	plot	VERB
admet-835	697	5	against	against	ADP
admet-835	697	6	avdeef	avdeef	PROPN
admet-835	697	7	’s	’s	PART
admet-835	697	8	average	average	ADJ
admet-835	697	9	log	log	NOUN
admet-835	697	10	s	s	PART
admet-835	697	11	values	value	NOUN
admet-835	697	12	[	[	X
admet-835	697	13	45	45	NUM
admet-835	697	14	]	]	PUNCT
admet-835	697	15	for	for	ADP
admet-835	697	16	the	the	DET
admet-835	697	17	2019	2019	NUM
admet-835	697	18	solubility	solubility	NOUN
admet-835	697	19	challenge	challenge	NOUN
admet-835	697	20	loose	loose	ADJ
admet-835	697	21	test	test	NOUN
admet-835	697	22	set	set	NOUN
admet-835	697	23	of	of	ADP
admet-835	697	24	32	32	NUM
admet-835	697	25	molecules	molecule	NOUN
admet-835	697	26	.	.	PUNCT
admet-835	698	1	compounds	compound	NOUN
admet-835	698	2	with	with	ADP
admet-835	698	3	prediction	prediction	NOUN
admet-835	698	4	errors	error	NOUN
admet-835	698	5	of	of	ADP
admet-835	698	6	under	under	ADP
admet-835	698	7	0.5	0.5	NUM
admet-835	698	8	(	(	PUNCT
admet-835	698	9	blue	blue	NOUN
admet-835	698	10	)	)	PUNCT
admet-835	698	11	,	,	PUNCT
admet-835	698	12	0.5	0.5	NUM
admet-835	698	13	to	to	PART
admet-835	698	14	1.0	1.0	NUM
admet-835	698	15	(	(	PUNCT
admet-835	698	16	green	green	NOUN
admet-835	698	17	)	)	PUNCT
admet-835	698	18	,	,	PUNCT
admet-835	698	19	1.0	1.0	NUM
admet-835	698	20	to	to	ADP
admet-835	698	21	2.0	2.0	NUM
admet-835	698	22	(	(	PUNCT
admet-835	698	23	orange	orange	PROPN
admet-835	698	24	)	)	PUNCT
admet-835	698	25	,	,	PUNCT
admet-835	698	26	and	and	CCONJ
admet-835	698	27	over	over	ADP
admet-835	698	28	2.0	2.0	NUM
admet-835	698	29	logs	log	NOUN
admet-835	698	30	units	unit	NOUN
admet-835	698	31	(	(	PUNCT
admet-835	698	32	red	red	ADJ
admet-835	698	33	)	)	PUNCT
admet-835	698	34	are	be	AUX
admet-835	698	35	shown	show	VERB
admet-835	698	36	in	in	ADP
admet-835	698	37	their	their	PRON
admet-835	698	38	respective	respective	ADJ
admet-835	698	39	colours	colour	NOUN
admet-835	698	40	.	.	PUNCT
admet-835	699	1	the	the	DET
admet-835	699	2	black	black	ADJ
admet-835	699	3	diagonal	diagonal	ADJ
admet-835	699	4	line	line	NOUN
admet-835	699	5	shows	show	VERB
admet-835	699	6	equality	equality	NOUN
admet-835	699	7	of	of	ADP
admet-835	699	8	predicted	predict	VERB
admet-835	699	9	and	and	CCONJ
admet-835	699	10	experimental	experimental	ADJ
admet-835	699	11	solubilities	solubility	NOUN
admet-835	699	12	,	,	PUNCT
admet-835	699	13	while	while	SCONJ
admet-835	699	14	the	the	DET
admet-835	699	15	grey	grey	ADJ
admet-835	699	16	line	line	NOUN
admet-835	699	17	is	be	AUX
admet-835	699	18	a	a	DET
admet-835	699	19	line	line	NOUN
admet-835	699	20	of	of	ADP
admet-835	699	21	best	good	ADJ
admet-835	699	22	fit	fit	ADJ
admet-835	699	23	to	to	ADP
admet-835	699	24	the	the	DET
admet-835	699	25	data	datum	NOUN
admet-835	699	26	.	.	PUNCT
admet-835	700	1	admet	admet	PROPN
admet-835	700	2	&	&	CCONJ
admet-835	700	3	dmpk	dmpk	PROPN
admet-835	700	4	8(3	8(3	NUM
admet-835	700	5	)	)	PUNCT
admet-835	700	6	(	(	PUNCT
admet-835	700	7	2020	2020	NUM
admet-835	700	8	)	)	PUNCT
admet-835	700	9	215	215	NUM
admet-835	700	10	-	-	SYM
admet-835	700	11	250	250	NUM
admet-835	700	12	machine	machine	NOUN
admet-835	700	13	learning	learning	NOUN
admet-835	700	14	models	model	NOUN
admet-835	700	15	for	for	ADP
admet-835	700	16	the	the	DET
admet-835	700	17	2019	2019	NUM
admet-835	700	18	solubility	solubility	NOUN
admet-835	700	19	challenge	challenge	NOUN
admet-835	700	20	doi	doi	NOUN
admet-835	700	21	:	:	PUNCT
admet-835	700	22	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	700	23	249	249	NUM
admet-835	700	24	figure	figure	NOUN
admet-835	700	25	a12	a12	NOUN
admet-835	700	26	.	.	PUNCT
admet-835	701	1	bagging	bag	VERB
admet-835	701	2	predictions	prediction	NOUN
admet-835	701	3	plotted	plot	VERB
admet-835	701	4	against	against	ADP
admet-835	701	5	avdeef	avdeef	PROPN
admet-835	701	6	’s	’s	PART
admet-835	701	7	average	average	ADJ
admet-835	701	8	log	log	NOUN
admet-835	701	9	s	s	PART
admet-835	701	10	values	value	NOUN
admet-835	701	11	[	[	X
admet-835	701	12	45	45	NUM
admet-835	701	13	]	]	PUNCT
admet-835	701	14	for	for	ADP
admet-835	701	15	the	the	DET
admet-835	701	16	2019	2019	NUM
admet-835	701	17	solubility	solubility	NOUN
admet-835	701	18	challenge	challenge	NOUN
admet-835	701	19	loose	loose	ADJ
admet-835	701	20	test	test	NOUN
admet-835	701	21	set	set	NOUN
admet-835	701	22	of	of	ADP
admet-835	701	23	32	32	NUM
admet-835	701	24	molecules	molecule	NOUN
admet-835	701	25	.	.	PUNCT
admet-835	702	1	compounds	compound	NOUN
admet-835	702	2	with	with	ADP
admet-835	702	3	prediction	prediction	NOUN
admet-835	702	4	errors	error	NOUN
admet-835	702	5	of	of	ADP
admet-835	702	6	under	under	ADP
admet-835	702	7	0.5	0.5	NUM
admet-835	702	8	(	(	PUNCT
admet-835	702	9	blue	blue	NOUN
admet-835	702	10	)	)	PUNCT
admet-835	702	11	,	,	PUNCT
admet-835	702	12	0.5	0.5	NUM
admet-835	702	13	to	to	PART
admet-835	702	14	1.0	1.0	NUM
admet-835	702	15	(	(	PUNCT
admet-835	702	16	green	green	NOUN
admet-835	702	17	)	)	PUNCT
admet-835	702	18	,	,	PUNCT
admet-835	702	19	1.0	1.0	NUM
admet-835	702	20	to	to	ADP
admet-835	702	21	2.0	2.0	NUM
admet-835	702	22	(	(	PUNCT
admet-835	702	23	orange	orange	PROPN
admet-835	702	24	)	)	PUNCT
admet-835	702	25	,	,	PUNCT
admet-835	702	26	and	and	CCONJ
admet-835	702	27	over	over	ADP
admet-835	702	28	2.0	2.0	NUM
admet-835	702	29	logs	log	NOUN
admet-835	702	30	units	unit	NOUN
admet-835	702	31	(	(	PUNCT
admet-835	702	32	red	red	ADJ
admet-835	702	33	)	)	PUNCT
admet-835	702	34	are	be	AUX
admet-835	702	35	shown	show	VERB
admet-835	702	36	in	in	ADP
admet-835	702	37	their	their	PRON
admet-835	702	38	respective	respective	ADJ
admet-835	702	39	colours	colour	NOUN
admet-835	702	40	.	.	PUNCT
admet-835	703	1	the	the	DET
admet-835	703	2	black	black	ADJ
admet-835	703	3	diagonal	diagonal	ADJ
admet-835	703	4	line	line	NOUN
admet-835	703	5	shows	show	VERB
admet-835	703	6	equality	equality	NOUN
admet-835	703	7	of	of	ADP
admet-835	703	8	predicted	predict	VERB
admet-835	703	9	and	and	CCONJ
admet-835	703	10	experimental	experimental	ADJ
admet-835	703	11	solubilities	solubility	NOUN
admet-835	703	12	,	,	PUNCT
admet-835	703	13	while	while	SCONJ
admet-835	703	14	the	the	DET
admet-835	703	15	grey	grey	ADJ
admet-835	703	16	line	line	NOUN
admet-835	703	17	is	be	AUX
admet-835	703	18	a	a	DET
admet-835	703	19	line	line	NOUN
admet-835	703	20	of	of	ADP
admet-835	703	21	best	good	ADJ
admet-835	703	22	fit	fit	ADJ
admet-835	703	23	to	to	ADP
admet-835	703	24	the	the	DET
admet-835	703	25	data	datum	NOUN
admet-835	703	26	.	.	PUNCT
admet-835	704	1	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	PROPN
admet-835	704	2	john	john	PROPN
admet-835	704	3	b.	b.	PROPN
admet-835	704	4	o.	o.	PROPN
admet-835	704	5	mitchell	mitchell	PROPN
admet-835	704	6	admet	admet	PROPN
admet-835	704	7	&	&	CCONJ
admet-835	704	8	dmpk	dmpk	PROPN
admet-835	704	9	8(3	8(3	NUM
admet-835	704	10	)	)	PUNCT
admet-835	704	11	(	(	PUNCT
admet-835	704	12	2020	2020	NUM
admet-835	704	13	)	)	PUNCT
admet-835	704	14	215	215	NUM
admet-835	704	15	-	-	SYM
admet-835	704	16	250	250	NUM
admet-835	704	17	250	250	NUM
admet-835	704	18	figure	figure	NOUN
admet-835	704	19	a13	a13	NOUN
admet-835	704	20	.	.	PUNCT
admet-835	705	1	extra	extra	ADJ
admet-835	705	2	trees	tree	NOUN
admet-835	705	3	errors	error	NOUN
admet-835	705	4	obtained	obtain	VERB
admet-835	705	5	when	when	SCONJ
admet-835	705	6	modelling	model	VERB
admet-835	705	7	literature	literature	NOUN
admet-835	705	8	solubilities	solubility	NOUN
admet-835	705	9	(	(	PUNCT
admet-835	705	10	vertical	vertical	ADJ
admet-835	705	11	axis	axis	NOUN
admet-835	705	12	)	)	PUNCT
admet-835	705	13	are	be	AUX
admet-835	705	14	plotted	plot	VERB
admet-835	705	15	against	against	ADP
admet-835	705	16	those	those	PRON
admet-835	705	17	obtained	obtain	VERB
admet-835	705	18	when	when	SCONJ
admet-835	705	19	modelling	modelling	ADJ
admet-835	705	20	avdeef	avdeef	NOUN
admet-835	706	1	[	[	X
admet-835	706	2	45	45	NUM
admet-835	706	3	]	]	X
admet-835	706	4	solubilities	solubility	NOUN
admet-835	706	5	(	(	PUNCT
admet-835	706	6	horizontal	horizontal	ADJ
admet-835	706	7	axis	axis	NOUN
admet-835	706	8	)	)	PUNCT
admet-835	706	9	.	.	PUNCT
admet-835	707	1	in	in	ADP
admet-835	707	2	the	the	DET
admet-835	707	3	regions	region	NOUN
admet-835	707	4	delineated	delineate	VERB
admet-835	707	5	by	by	ADP
admet-835	707	6	brown	brown	ADJ
admet-835	707	7	lines	line	NOUN
admet-835	707	8	,	,	PUNCT
admet-835	707	9	avdeef	avdeef	PROPN
admet-835	707	10	solubilities	solubility	NOUN
admet-835	707	11	are	be	AUX
admet-835	707	12	more	more	ADV
admet-835	707	13	poorly	poorly	ADV
admet-835	707	14	modelled	model	VERB
admet-835	707	15	and	and	CCONJ
admet-835	707	16	literature	literature	NOUN
admet-835	707	17	solubilities	solubility	NOUN
admet-835	707	18	better	well	ADV
admet-835	707	19	modelled	model	VERB
admet-835	707	20	by	by	ADP
admet-835	707	21	at	at	ADV
admet-835	707	22	least	least	ADV
admet-835	707	23	0.5	0.5	NUM
admet-835	707	24	logs	log	NOUN
admet-835	707	25	units	unit	NOUN
admet-835	707	26	(	(	PUNCT
admet-835	707	27	this	this	PRON
admet-835	707	28	applies	apply	VERB
admet-835	707	29	to	to	ADP
admet-835	707	30	seven	seven	NUM
admet-835	707	31	compounds	compound	NOUN
admet-835	707	32	)	)	PUNCT
admet-835	707	33	.	.	PUNCT
admet-835	708	1	in	in	ADP
admet-835	708	2	the	the	DET
admet-835	708	3	regions	region	NOUN
admet-835	708	4	delineated	delineate	VERB
admet-835	708	5	by	by	ADP
admet-835	708	6	purple	purple	ADJ
admet-835	708	7	lines	line	NOUN
admet-835	708	8	,	,	PUNCT
admet-835	708	9	literature	literature	NOUN
admet-835	708	10	solubilities	solubility	NOUN
admet-835	708	11	are	be	AUX
admet-835	708	12	more	more	ADV
admet-835	708	13	poorly	poorly	ADV
admet-835	708	14	modelled	model	VERB
admet-835	708	15	and	and	CCONJ
admet-835	708	16	avdeef	avdeef	NOUN
admet-835	708	17	solubilities	solubility	NOUN
admet-835	708	18	are	be	AUX
admet-835	708	19	better	well	ADV
admet-835	708	20	modelled	model	VERB
admet-835	708	21	by	by	ADP
admet-835	708	22	at	at	ADV
admet-835	708	23	least	least	ADV
admet-835	708	24	0.5	0.5	NUM
admet-835	708	25	logs	log	NOUN
admet-835	708	26	units	unit	NOUN
admet-835	708	27	(	(	PUNCT
admet-835	708	28	this	this	PRON
admet-835	708	29	applies	apply	VERB
admet-835	708	30	to	to	ADP
admet-835	708	31	five	five	NUM
admet-835	708	32	compounds	compound	NOUN
admet-835	708	33	)	)	PUNCT
admet-835	708	34	.	.	PUNCT
admet-835	709	1	thus	thus	ADV
admet-835	709	2	the	the	DET
admet-835	709	3	extra	extra	ADJ
admet-835	709	4	trees	tree	NOUN
admet-835	709	5	modelled	model	VERB
admet-835	709	6	values	value	NOUN
admet-835	709	7	are	be	AUX
admet-835	709	8	closer	close	ADJ
admet-835	709	9	to	to	ADP
admet-835	709	10	literature	literature	NOUN
admet-835	709	11	solubilities	solubility	NOUN
admet-835	709	12	around	around	ADV
admet-835	709	13	3	3	NUM
admet-835	709	14	o’clock	o’clock	NOUN
admet-835	709	15	and	and	CCONJ
admet-835	709	16	9	9	NUM
admet-835	709	17	o’clock	o’clock	NOUN
admet-835	709	18	on	on	ADP
admet-835	709	19	this	this	DET
admet-835	709	20	diagram	diagram	NOUN
admet-835	709	21	,	,	PUNCT
admet-835	709	22	whilst	whilst	SCONJ
admet-835	709	23	extra	extra	ADJ
admet-835	709	24	trees	tree	NOUN
admet-835	709	25	is	be	AUX
admet-835	709	26	closer	close	ADJ
admet-835	709	27	to	to	AUX
admet-835	709	28	avdeef	avdeef	VERB
admet-835	709	29	solubilities	solubility	NOUN
admet-835	709	30	around	around	ADV
admet-835	709	31	12	12	NUM
admet-835	709	32	o’clock	o’clock	NOUN
admet-835	709	33	and	and	CCONJ
admet-835	709	34	6	6	NUM
admet-835	709	35	o’clock	o’clock	NOUN
admet-835	709	36	.	.	PUNCT
admet-835	710	1	these	these	DET
admet-835	710	2	data	datum	NOUN
admet-835	710	3	are	be	AUX
admet-835	710	4	for	for	ADP
admet-835	710	5	89	89	NUM
admet-835	710	6	compounds	compound	NOUN
admet-835	710	7	from	from	ADP
admet-835	710	8	the	the	DET
admet-835	710	9	tight	tight	ADJ
admet-835	710	10	set	set	NOUN
admet-835	710	11	.	.	PUNCT
admet-835	711	1	admet	admet	PROPN
admet-835	711	2	&	&	CCONJ
admet-835	711	3	dmpk	dmpk	PROPN
admet-835	711	4	8(3	8(3	NUM
admet-835	711	5	)	)	PUNCT
admet-835	711	6	(	(	PUNCT
admet-835	711	7	2020	2020	NUM
admet-835	711	8	)	)	PUNCT
admet-835	711	9	215	215	NUM
admet-835	711	10	-	-	SYM
admet-835	711	11	250	250	NUM
admet-835	711	12	machine	machine	NOUN
admet-835	711	13	learning	learning	NOUN
admet-835	711	14	models	model	NOUN
admet-835	711	15	for	for	ADP
admet-835	711	16	the	the	DET
admet-835	711	17	2019	2019	NUM
admet-835	711	18	solubility	solubility	NOUN
admet-835	711	19	challenge	challenge	NOUN
admet-835	711	20	doi	doi	NOUN
admet-835	711	21	:	:	PUNCT
admet-835	711	22	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN
admet-835	711	23	251	251	NUM
admet-835	711	24	figure	figure	NOUN
admet-835	711	25	a14	a14	NOUN
admet-835	711	26	.	.	PUNCT
admet-835	712	1	extra	extra	ADJ
admet-835	712	2	trees	tree	NOUN
admet-835	712	3	errors	error	NOUN
admet-835	712	4	obtained	obtain	VERB
admet-835	712	5	when	when	SCONJ
admet-835	712	6	modelling	model	VERB
admet-835	712	7	literature	literature	NOUN
admet-835	712	8	solubilities	solubility	NOUN
admet-835	712	9	(	(	PUNCT
admet-835	712	10	vertical	vertical	ADJ
admet-835	712	11	axis	axis	NOUN
admet-835	712	12	)	)	PUNCT
admet-835	712	13	are	be	AUX
admet-835	712	14	plotted	plot	VERB
admet-835	712	15	against	against	ADP
admet-835	712	16	those	those	PRON
admet-835	712	17	obtained	obtain	VERB
admet-835	712	18	when	when	SCONJ
admet-835	712	19	modelling	modelling	ADJ
admet-835	712	20	avdeef	avdeef	NOUN
admet-835	713	1	[	[	X
admet-835	713	2	45	45	NUM
admet-835	713	3	]	]	X
admet-835	713	4	solubilities	solubility	NOUN
admet-835	713	5	(	(	PUNCT
admet-835	713	6	horizontal	horizontal	ADJ
admet-835	713	7	axis	axis	NOUN
admet-835	713	8	)	)	PUNCT
admet-835	713	9	.	.	PUNCT
admet-835	714	1	in	in	ADP
admet-835	714	2	the	the	DET
admet-835	714	3	regions	region	NOUN
admet-835	714	4	delineated	delineate	VERB
admet-835	714	5	by	by	ADP
admet-835	714	6	brown	brown	ADJ
admet-835	714	7	lines	line	NOUN
admet-835	714	8	,	,	PUNCT
admet-835	714	9	avdeef	avdeef	PROPN
admet-835	714	10	solubilities	solubility	NOUN
admet-835	714	11	are	be	AUX
admet-835	714	12	more	more	ADV
admet-835	714	13	poorly	poorly	ADV
admet-835	714	14	modelled	model	VERB
admet-835	714	15	and	and	CCONJ
admet-835	714	16	literature	literature	NOUN
admet-835	714	17	solubilities	solubility	NOUN
admet-835	714	18	better	well	ADV
admet-835	714	19	modelled	model	VERB
admet-835	714	20	by	by	ADP
admet-835	714	21	at	at	ADV
admet-835	714	22	least	least	ADV
admet-835	714	23	0.5	0.5	NUM
admet-835	714	24	logs	log	NOUN
admet-835	714	25	units	unit	NOUN
admet-835	714	26	(	(	PUNCT
admet-835	714	27	this	this	PRON
admet-835	714	28	applies	apply	VERB
admet-835	714	29	to	to	ADP
admet-835	714	30	six	six	NUM
admet-835	714	31	compounds	compound	NOUN
admet-835	714	32	)	)	PUNCT
admet-835	714	33	.	.	PUNCT
admet-835	715	1	in	in	ADP
admet-835	715	2	the	the	DET
admet-835	715	3	regions	region	NOUN
admet-835	715	4	delineated	delineate	VERB
admet-835	715	5	by	by	ADP
admet-835	715	6	purple	purple	ADJ
admet-835	715	7	lines	line	NOUN
admet-835	715	8	,	,	PUNCT
admet-835	715	9	literature	literature	NOUN
admet-835	715	10	solubilities	solubility	NOUN
admet-835	715	11	are	be	AUX
admet-835	715	12	more	more	ADV
admet-835	715	13	poorly	poorly	ADV
admet-835	715	14	modelled	model	VERB
admet-835	715	15	and	and	CCONJ
admet-835	715	16	avdeef	avdeef	NOUN
admet-835	715	17	solubilities	solubility	NOUN
admet-835	715	18	are	be	AUX
admet-835	715	19	better	well	ADV
admet-835	715	20	modelled	model	VERB
admet-835	715	21	by	by	ADP
admet-835	715	22	at	at	ADV
admet-835	715	23	least	least	ADV
admet-835	715	24	0.5	0.5	NUM
admet-835	715	25	logs	log	NOUN
admet-835	715	26	units	unit	NOUN
admet-835	715	27	(	(	PUNCT
admet-835	715	28	this	this	PRON
admet-835	715	29	applies	apply	VERB
admet-835	715	30	to	to	ADP
admet-835	715	31	six	six	NUM
admet-835	715	32	compounds	compound	NOUN
admet-835	715	33	)	)	PUNCT
admet-835	715	34	.	.	PUNCT
admet-835	716	1	thus	thus	ADV
admet-835	716	2	the	the	DET
admet-835	716	3	extra	extra	ADJ
admet-835	716	4	trees	tree	NOUN
admet-835	716	5	modelled	model	VERB
admet-835	716	6	values	value	NOUN
admet-835	716	7	are	be	AUX
admet-835	716	8	closer	close	ADJ
admet-835	716	9	to	to	ADP
admet-835	716	10	literature	literature	NOUN
admet-835	716	11	solubilities	solubility	NOUN
admet-835	716	12	around	around	ADV
admet-835	716	13	3	3	NUM
admet-835	716	14	o’clock	o’clock	NOUN
admet-835	716	15	and	and	CCONJ
admet-835	716	16	9	9	NUM
admet-835	716	17	o’clock	o’clock	NOUN
admet-835	716	18	on	on	ADP
admet-835	716	19	this	this	DET
admet-835	716	20	diagram	diagram	NOUN
admet-835	716	21	,	,	PUNCT
admet-835	716	22	whilst	whilst	SCONJ
admet-835	716	23	extra	extra	ADJ
admet-835	716	24	trees	tree	NOUN
admet-835	716	25	is	be	AUX
admet-835	716	26	closer	close	ADJ
admet-835	716	27	to	to	AUX
admet-835	716	28	avdeef	avdeef	VERB
admet-835	716	29	solubilities	solubility	NOUN
admet-835	716	30	around	around	ADV
admet-835	716	31	12	12	NUM
admet-835	716	32	o’clock	o’clock	NOUN
admet-835	716	33	and	and	CCONJ
admet-835	716	34	6	6	NUM
admet-835	716	35	o’clock	o’clock	NOUN
admet-835	716	36	.	.	PUNCT
admet-835	717	1	these	these	DET
admet-835	717	2	data	datum	NOUN
admet-835	717	3	are	be	AUX
admet-835	717	4	for	for	ADP
admet-835	717	5	26	26	NUM
admet-835	717	6	compounds	compound	NOUN
admet-835	717	7	from	from	ADP
admet-835	717	8	the	the	DET
admet-835	717	9	tight	tight	ADJ
admet-835	717	10	set	set	NOUN
admet-835	717	11	.	.	PUNCT
admet-835	718	1	the	the	DET
admet-835	718	2	large	large	ADJ
admet-835	718	3	outlier	outlier	NOUN
admet-835	718	4	at	at	ADP
admet-835	718	5	the	the	DET
admet-835	718	6	top	top	NOUN
admet-835	718	7	is	be	AUX
admet-835	718	8	bisoprolol	bisoprolol	NOUN
admet-835	718	9	.	.	PUNCT
admet-835	718	10	http://dx.doi.org/10.5599/admet.835	http://dx.doi.org/10.5599/admet.835	NOUN