Molecule Property Optimization on PMV gsk3b 21
51.05AUC@1MOLLEO
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| MOLLEOOracle calls=1000, Number of runs=32026.05 | 51.05 | 41.53 | 27.85 | 32.93 | 5.3533 | |
| MolWorldOracle calls=1000, Number of runs=32026.05 | 49.56 | 46.92 | 40.94 | 0.24 | 99.5469 | |
| GP-BOOracle calls=1000, Number of runs=32026.05 | 44.86 | 39.82 | 27.19 | 25.9 | 10.77 | |
| REINVENTOracle calls=1000, Number of runs=32026.05 | 36.77 | 17.19 | 2.08 | 98.13 | 0.0267 | |
| GraphGAOracle calls=1000, Number of runs=32026.05 | 33.75 | 28.81 | 20.21 | 34.67 | 5.8117 | |
| Aug-MemOracle calls=1000, Number of runs=32026.05 | 17.19 | 4.94 | 0.49 | 99.33 | 0.0067 |