Molecule property optimization on PMV21 drd2
0.9564AUC@1MolWorld
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| MolWorldOracle calls=1000, Number of runs=32026.05 | 0.9564 | 0.9463 | 0.8977 | 0.0007 | 79.5481 | |
| MOLLEOOracle calls=1000, Number of runs=32026.05 | 0.9354 | 0.892 | 0.6638 | 0.384 | 4.3993 | |
| GP-BOOracle calls=1000, Number of runs=32026.05 | 0.9247 | 0.8376 | 0.5462 | 0.1467 | 14.1423 | |
| GraphGAOracle calls=1000, Number of runs=32026.05 | 0.8967 | 0.8245 | 0.5344 | 0.3353 | 5.3493 | |
| REINVENTOracle calls=1000, Number of runs=32026.05 | 0.7116 | 0.4507 | 0.0958 | 0.923 | 0.2967 | |
| Aug-MemOracle calls=1000, Number of runs=32026.05 | 0.6757 | 0.3896 | 0.0861 | 0.9567 | 0.0793 |