Docking optimization on LIT-PCBA top-100 diverse modes
12.36ALDH1 ScoreSynGBO
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| SynGBOCalls=160002025.09 | 12.36 | 11.68 | 8.51 | 11.11 | |
| SynGACalls=160002025.09 | 11.97 | 11.07 | 8.23 | 10.8 | |
| 3DSynthFlowCalls=640002025.09 | 11.82 | 11.23 | 8.41 | 10.88 | |
| RxnFlowCalls=640002025.09 | 11.26 | 10.77 | 8.09 | 10.45 | |
| SynFlowNetCalls=640002025.09 | 10.69 | 10.27 | 7.9 | 9.99 | |
| BBARCalls=640002025.09 | 10.06 | 9.92 | 7.05 | 9.36 | |
| RGFNCalls=640002025.09 | 9.93 | 9.72 | 7.07 | 9.2 | |
| SynNetCalls=640002025.09 | 8.81 | 8.52 | 5.34 | 8.22 |