Multi-objective Drug Discovery on BRD4_HUMAN
8.33BAPAFlow
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| PAFlowGuidance Strategy=Oracle-free, Seeded Runs=3, Tool Usage=False2026.05 | 8.33 | 7.54 | 0.43 | |
| TAGMolGuidance Strategy=Oracle-free, Seeded Runs=3, Tool Usage=False2026.05 | 9.54 | 8.06 | 0.53 | |
| ShinkaEvolveGuidance Strategy=Affinity feedback, Seeded Runs=3, Oracle budget=1000 evaluations, Tool Usage=False2026.05 | 9.59 | 9.38 | 0.56 | |
| Graph-GAGuidance Strategy=Affinity feedback, Seeded Runs=5, Oracle budget=1000 evaluations, Tool Usage=False2026.05 | 9.79 | 9.07 | 0.56 | |
| MOLLEOGuidance Strategy=Affinity feedback, Seeded Runs=5, Oracle budget=1000 evaluations, Tool Usage=False2026.05 | 9.87 | 9.48 | 0.59 | |
| Pocket2MolGuidance Strategy=Oracle-free, Seeded Runs=3, Tool Usage=False2026.05 | 10.02 | 8.61 | 0.52 | |
| ToolMolGuidance Strategy=Affinity feedback, Seeded Runs=5, Oracle budget=1000 evaluations, Tool Usage=True2026.05 | 10.64 | 9.91 | 0.6 | |
| ShinkaEvolveGuidance Strategy=Affinity feedback, Seeded Runs=3, Oracle budget=1000 evaluations, Tool Usage=True2026.05 | 10.8 | 9.2 | 0.57 |