Property Optimization on PMV21 GSK3B (test)
68.08AUC@1NFBO
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| NFBOOracle calls=1,0002026.05 | 68.08 | 60.59 | 40.01 | 47.44 | 3.347 | |
| Aug-MemOracle calls=1,0002026.05 | 56.65 | 42.28 | 25.29 | 99.33 | 0.0067 | |
| REINVENTOracle calls=1,0002026.05 | 55.19 | 39.34 | 20.49 | 98.13 | 0.0267 | |
| MOLLEOOracle calls=1,0002026.05 | 51.71 | 41.87 | 28.57 | 32.93 | 5.3533 | |
| MOLWORLDOracle calls=1,0002026.05 | 49.56 | 46.92 | 40.94 | 0.24 | 99.5469 | |
| GP-BOOracle calls=1,0002026.05 | 46.51 | 41.63 | 29.68 | 25.9 | 10.77 | |
| GraphGAOracle calls=1,0002026.05 | 33.87 | 29.05 | 20.53 | 34.67 | 5.8117 | |
| MOLLEO2026.05 | 0.5105 | 0.4153 | 0.2785 | 0.3293 | 5.3533 | |
| MolWorld2026.05 | 0.4956 | 0.4692 | 0.4094 | 0.0024 | 99.5469 | |
| GP-BO2026.05 | 0.4486 | 0.3982 | 0.2719 | 0.259 | 10.77 | |
| REINVENT2026.05 | 0.3677 | 0.1719 | 0.0208 | 0.9813 | 0.0247 | |
| GraphGA2026.05 | 0.3375 | 0.2881 | 0.2021 | 0.3467 | 5.8117 | |
| Aug-Mem2026.05 | 0.1719 | 0.0494 | 0.0049 | 0.9933 | 0.0067 |