Table 2. Reproducing Known Actives in the Plasmodium Test Set.
no. | pIC50 | training | test | gen mols | reprod (%) | EORa |
---|---|---|---|---|---|---|
1 | >8 | 1239 | 1240 | 128,256 | 28 | 66.9 |
2 | >8 | 100 | 1240 | 93,721 | 7 | 19.0 |
3 | >9 | 100 | 1022 | 91,034 | 11 | 35.7 |
EOR: Enrichment over random.