QED Property Optimization on ZINC
0.9482AUC@1MOLWORLD
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| MOLWORLDOracle calls=100002026.05 | 0.9482 | 0.9481 | 0.9475 | 2.72 | 12.5625 | |
| REINVENTOracle calls=100002026.05 | 0.948 | 0.945 | 0.9352 | 46.72 | 2.9547 | |
| Aug-MemOracle calls=100002026.05 | 0.9479 | 0.946 | 0.9381 | 58.63 | 2.8359 | |
| NFBOOracle calls=100002026.05 | 0.9476 | 0.9456 | 0.9351 | 44.9 | 3.435 | |
| GraphGAOracle calls=100002026.05 | 0.9472 | 0.9416 | 0.9211 | 62.09 | 0.852 | |
| GP-BOOracle calls=100002026.05 | 0.9446 | 0.9383 | 0.9174 | 61.72 | 0.9434 | |
| MOLLEOOracle calls=100002026.05 | 0.9442 | 0.9383 | 0.9182 | 58.27 | 1.1323 |