Virtual screening of bioassay data

Table 2 Summary of Bioassay datasets used in the predictive models

Assay	No of Attributes	Screening Type	Compounds	Minority Class %
AID362	144	Primary	4279	1.4%
AID604	154	Primary	59788	0.35%
AID456	153	Primary	9982	0.27%
AID688	154	Primary	27198	0.91%
AID373	154	Primary	59788	0.1%
AID746	154	Primary	59788	0.61%
AID687	153	Primary	33067	0.28%
AID746&AID1284	154	Primary and Confirmatory	59784	0.1%
AID604&AID644	154	Primary and Confirmatory	59782	0.11%
AID373&AID439	154	Primary and Confirmatory	59795	0.02%
AID687&AID721	153	Primary and Confirmatory	33046	0.06%
AID1608	154	Confirmatory	1033	6.58%
AID644	100	Confirmatory	206	32.52%
AID1284	103	Confirmatory	362	15.75%
AID439	81	Confirmatory	69	18.84%
AID721	87	Confirmatory	94	22.34%
AID1608	914	Confirmatory	1033	6.58%
AID644	914	Confirmatory	206	32.52%
AID1284	914	Confirmatory	362	15.75%
AID439	914	Confirmatory	69	18.84%
AID721	914	Confirmatory	94	22.34%

ISSN: 1758-2946