GSK3B property optimization on ZINC
99.77AUC@1MOLWORLD
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| MOLWORLDOracle calls=100002026.05 | 99.77 | 96.79 | 91.48 | 1.18 | 19.4698 | |
| NFBOOracle calls=100002026.05 | 99.09 | 97.79 | 91.67 | 36.39 | 119.3908 | |
| MOLLEOOracle calls=100002026.05 | 94.46 | 91.29 | 84.81 | 20.45 | 28.5698 | |
| Aug-MemOracle calls=100002026.05 | 91.65 | 88.14 | 82.63 | 69.01 | 3.0238 | |
| GP-BOOracle calls=100002026.05 | 91.58 | 88.08 | 83.32 | 13.79 | 53.617 | |
| REINVENTOracle calls=100002026.05 | 89.5 | 85.94 | 81.39 | 31.61 | 31.5373 | |
| GraphGAOracle calls=100002026.05 | 80.58 | 76.09 | 70.61 | 35.91 | 16.0595 |