Molecule Property Optimization (JNK3) on ZINC250
0.9473AUC@1MolWorld
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| MolWorldOracle calls=10,000, Evaluation protocol=reachable-generated-molecule2026.05 | 0.9473 | 0.8201 | 0.7794 | 0.0179 | 54.261 | |
| MOLLEOOracle calls=10,000, Evaluation protocol=reachable-generated-molecule2026.05 | 0.8491 | 0.826 | 0.7764 | 0.2335 | 10.9015 | |
| REINVENTOracle calls=10,000, Evaluation protocol=reachable-generated-molecule2026.05 | 0.8087 | 0.7767 | 0.7302 | 0.2645 | 35.58 | |
| Aug-MemOracle calls=10,000, Evaluation protocol=reachable-generated-molecule2026.05 | 0.805 | 0.7706 | 0.7135 | 0.5348 | 8.2912 | |
| GraphGAOracle calls=10,000, Evaluation protocol=reachable-generated-molecule2026.05 | 0.6372 | 0.6065 | 0.5502 | 0.3799 | 6.2139 | |
| GP-BOOracle calls=10,000, Evaluation protocol=reachable-generated-molecule2026.05 | 0.4032 | 0.3634 | 0.3213 | 0.0989 | 28.5221 |