| Dataset Name | SOTA Method | Metric | Trend | ||
|---|---|---|---|---|---|
| ZINC-250k | Ours (GA/BGNN) | logP25.26 | 30 | 1mo ago | |
| ChemCoT-Bench | BioMistral-7B | LogP Delta-0.36 | 9 | 23d ago | |
| TDC 122 synthesis-guaranteed FDA-approved drugs | AMES49.3 | 9 | 1mo ago | ||
| Unconstrained Molecular Optimization ACAA1 Docking | WAVE | Mean Docking Score-8.813 | 8 | 1mo ago | |
| Unconstrained Molecular Optimization ESR1 Docking | WAVE | Mean Docking Score-9.63 | 8 | 1mo ago | |
| Unconstrained Molecular Optimization QED | HJ | Mean QED0.911 | 8 | 1mo ago | |
| Unconstrained Molecular Optimization plogP | HJ | Mean plogP3.405 | 8 | 1mo ago |
