Structure-Conditioned Molecular Design on LIT-PCBA 15 targets
68Affinity ProbabilityMCLM (ligand)
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| MCLM (ligand)Method category=Generative, Conditioning=ligand2026.04 | 68 | 6.31 | 57 | 38 | 54 | |
| CLIPP-SET (ligand)Method category=Search, Conditioning=ligand2026.04 | 55 | 5.69 | 51 | 19 | 74 | |
| Morgan FPMethod category=Search2026.04 | 50 | 5.45 | 49 | 36 | 59 | |
| MCLM (pocket)Method category=Generative, Conditioning=pocket2026.04 | 46 | 5.89 | 37 | 11 | 81 | |
| CLIPP-SET (pocket)Method category=Search, Conditioning=pocket2026.04 | 45 | 5.71 | 40 | 11 | 79 |