Multi-objective Drug Discovery on c-MET MET_HUMAN
10.15Binding Affinity (BA)MOLLEO
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| MOLLEOGuidance Strategy=Affinity feedback, Seeded Runs=5, Oracle budget=1000 evaluations, Tool Usage=False2026.05 | 10.15 | 9.62 | 60 | |
| ShinkaEvolveGuidance Strategy=Affinity feedback, Seeded Runs=3, Oracle budget=1000 evaluations, Tool Usage=False2026.05 | 10.17 | 9.72 | 58 | |
| Graph-GAGuidance Strategy=Affinity feedback, Seeded Runs=5, Oracle budget=1000 evaluations, Tool Usage=False2026.05 | 10.21 | 9.19 | 57 | |
| PAFlowGuidance Strategy=Oracle-free, Seeded Runs=3, Tool Usage=False2026.05 | 10.63 | 7.58 | 50 | |
| ToolMolGuidance Strategy=Affinity feedback, Seeded Runs=5, Oracle budget=1000 evaluations, Tool Usage=True2026.05 | 11 | 10.35 | 62 | |
| ShinkaEvolveGuidance Strategy=Affinity feedback, Seeded Runs=3, Oracle budget=1000 evaluations, Tool Usage=True2026.05 | 11.08 | 9.72 | 59 | |
| Pocket2MolGuidance Strategy=Oracle-free, Seeded Runs=3, Tool Usage=False2026.05 | 11.27 | 9.39 | 58 | |
| TAGMolGuidance Strategy=Oracle-free, Seeded Runs=3, Tool Usage=False2026.05 | 11.45 | 7.39 | 56 |