Property Optimization on PMV21 DRD2 (test)
97.06AUC@1NFBO
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| NFBOOracle calls=1,0002026.05 | 97.06 | 93.62 | 78.68 | 27.5 | 10.809 | |
| MOLWORLDOracle calls=1,0002026.05 | 95.64 | 94.63 | 89.77 | 0.07 | 79.5481 | |
| MOLLEOOracle calls=1,0002026.05 | 93.57 | 89.41 | 68.43 | 38.4 | 4.3993 | |
| GP-BOOracle calls=1,0002026.05 | 92.48 | 84.11 | 56.35 | 14.67 | 14.1423 | |
| GraphGAOracle calls=1,0002026.05 | 89.69 | 82.63 | 54.58 | 33.53 | 5.3493 | |
| Aug-MemOracle calls=1,0002026.05 | 86.03 | 73.59 | 49.2 | 95.67 | 0.0793 | |
| REINVENTOracle calls=1,0002026.05 | 74.26 | 57.52 | 26.16 | 92.3 | 0.2967 | |
| MolWorld2026.05 | 0.9564 | 0.9463 | 0.8977 | 0.0007 | 79.5481 | |
| MOLLEO2026.05 | 0.9354 | 0.892 | 0.6638 | 0.384 | 4.3993 | |
| GP-BO2026.05 | 0.9247 | 0.8376 | 0.5462 | 0.1467 | 14.1423 | |
| GraphGA2026.05 | 0.8967 | 0.8245 | 0.5344 | 0.3353 | 5.3493 | |
| REINVENT2026.05 | 0.7116 | 0.4507 | 0.0958 | 0.923 | 0.2967 | |
| Aug-Mem2026.05 | 0.6757 | 0.3896 | 0.0861 | 0.9567 | 0.0793 |