Table 1 Details of the bioassay datasets used in the experiments
From: Comprehensive ensemble in QSAR prediction for drug discovery
Assay ID | Description of BioAssay | # Active | # Inactive |
|---|---|---|---|
1851_1a2 | Cytochrome P450 Panel Assay, cyp1a2 | 5,902 | 6,974 |
1851_2c19 | Cytochrome P450 Panel Assay, cyp2c19 | 5,840 | 7,135 |
1851_2c9 | Cytochrome P450 Panel Assay, cyp2c9 | 4,065 | 8,361 |
1851_2d6 | Cytochrome P450 Panel Assay, cyp2d6 | 2,601 | 10,826 |
1851_3a4 | Cytochrome P450 Panel Assay, cyp3a4 | 5,175 | 7,446 |
1915 | Streptokinase Expression Inhibition | 2,219 | 1,017 |
2358 | Inhibitors of Protein Phosphatase 1 (PP1) | 1,006 | 934 |
463213 | Inhibitors of tim10-1 yeast | 4,138 | 3,234 |
463215 | Inhibitors of tim10 yeast | 2,941 | 1,695 |
488912 | Inhibitors of Sentrin-specific protease 8 | 2,491 | 3,705 |
488915 | Inhibitors of Sentrin-specific protease 6 | 3,568 | 2,628 |
488917 | Inhibitors of Sentrin-specific protease 7 | 4,283 | 1,913 |
488918 | Inhibitors of Sentrin-specific proteases | 3,691 | 2,505 |
492992 | Inhibitors of KCNK9 ∗ | 2,094 | 2,820 |
504607 | Inhibitors of Mdm2/MdmX interaction | 4,825 | 1,406 |
624504 | Inhibitors of the mtPTP †| 3,944 | 1,090 |
651739 | Inhibition of T.cruzi proliferation | 4,043 | 1,322 |
651744 | NIH/3T3 (mouse embryonic fibroblast) toxicity | 3,099 | 2,303 |
652065 | Molecules that bind r(CAG) RNA repeats | 2,965 | 1,286 |