Multi-objective Drug Discovery on ACAA1 THIK_HUMAN
7.9Binding AffinityPAFlow
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| PAFlowGuidance Strategy=Oracle-free, Seeded Runs=3, Tool Usage=False2026.05 | 7.9 | — | 33 | |
| MOLLEOGuidance Strategy=Affinity feedback, Seeded Runs=5, Oracle budget=1000 evaluations, Tool Usage=False2026.05 | 8.41 | 8.12 | 51 | |
| Pocket2MolGuidance Strategy=Oracle-free, Seeded Runs=3, Tool Usage=False2026.05 | 8.45 | 7.39 | 48 | |
| TAGMolGuidance Strategy=Oracle-free, Seeded Runs=3, Tool Usage=False2026.05 | 8.58 | 6.67 | 46 | |
| ShinkaEvolveGuidance Strategy=Affinity feedback, Seeded Runs=3, Oracle budget=1000 evaluations, Tool Usage=False2026.05 | 8.78 | 8.51 | 51 | |
| Graph-GAGuidance Strategy=Affinity feedback, Seeded Runs=5, Oracle budget=1000 evaluations, Tool Usage=False2026.05 | 8.81 | 8.05 | 50 | |
| ToolMolGuidance Strategy=Affinity feedback, Seeded Runs=5, Oracle budget=1000 evaluations, Tool Usage=True2026.05 | 9.7 | 8.78 | 54 | |
| ShinkaEvolveGuidance Strategy=Affinity feedback, Seeded Runs=3, Oracle budget=1000 evaluations, Tool Usage=True2026.05 | 10.2 | 8.11 | 53 |