Molecular Docking on ALDH1 LIT-PCBA
50.5Performance (1k Calls)SynGBO
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| SynGBOdocking score threshold=< -10, QED threshold=> 0.5, similarity threshold=0.5, proposal size=20, initial population size=10002025.09 | 50.5 | 171.8 | 182 | |
| SynGAdocking score threshold=< -10, QED threshold=> 0.5, similarity threshold=0.5, offspring size=100, population size=50002025.09 | 32.5 | 144.2 | 241.5 | |
| 3DSynthFlowdocking score threshold=< -10, QED threshold=> 0.5, similarity threshold=0.52025.09 | 18.5 | 112 | 326.5 | |
| RxnFlowdocking score threshold=< -10, QED threshold=> 0.5, similarity threshold=0.52025.09 | 4.5 | 26.5 | 73.5 |