Table 2 The number of transformed molecules generated during aquatic toxicity optimization
Molecule | Generated | Kept | Hits | Effectiveness |
|---|---|---|---|---|
Permethrin | 1217 (27) | 891 (26) | 854 (24) | 96% (92%) |
Hexestrol | 813 (10) | 165 (8) | 163 (8) | 99% (100%) |
alpha-Naphthoflavone | 583 (19) | 136 (13) | 132 (13) | 97% (100%) |
Propidium | 1812 (44) | 1325 (37) | 1316 (37) | 99% (100%) |
Bithionol | 224 (9) | 91 (8) | 91 (8) | 100% (100%) |
Dequalinium | 2095 (87) | 1645 (87) | 1635 (87) | 99% (100%) |
Oxiconazole | 1211 (25) | 826 (24) | 798 (22) | 97% (92%) |
Lercanidipine | 2059 (39) | 1940 (39) | 1928 (39) | 99% (100%) |