Table 7.
Analysis of the attrition rate of various filters for the protein–protein interaction inhibitor library.
| Asinex | Chemdiv | Enamine | LifeChemicals | Otava | SelleckChem | |
|---|---|---|---|---|---|---|
| Unfiltered | 11,439 | 212,906 | 40,640 | 36,426 | 3849 | 188 |
| Isolated filter: | Number of filtered out compounds (%) | |||||
| REOS | 148(1%) | 12,546(6%) | 970(2%) | 3191(9%) | 686(18%) | 87(47%) |
| PAINS | 18(~0%) | 3891(2%) | 239(1%) | 547(2%) | 164(4%) | 22(12%) |
| Aggregators | 6579(58%) | 132,015(62%) | 17,499(43%) | 22,721(38%) | 2682(70%) | 126(67%) |
| Lipinski Ro5 | 26(~0%) | 5936(3%) | 16(~0%) | 814(89%) | 424(11%) | 47(25%) |
| All filters | 8137(71%) | 174,713(82%) | 28,386(70%) | 31,886(88%) | 3581(93%) | 177(94%) |