| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Molecular Generation | 5ht1b | Docking Score (Top-Hit 5%, kcal/mol)-13.903 | 29 | |
| Molecular Generation | 5HT1B | Novel Hit Ratio22.69 | 21 | |
| Molecular docking | 5ht1b | Mean Docking Score-12.954 | 18 | |
| Molecular Generation | 5ht1b | # Circles312.7 | 12 | |
| Molecular optimization | 5HT1B online | Hit Ratio84.91 | 8 | |
| Novel docking score optimization | 5ht1b | Top 5% DS7.37 | 7 | |
| Molecular Optimization | 5HT1B (offline) | Hit Ratio76.94 | 5 |