| Dataset Name | SOTA Method | Metric | Trend | ||
|---|---|---|---|---|---|
| ZINC250K | UDLM + DCD | Uniqueness942.2 | 68 | 3mo ago | |
| ZINC 250k | GVT | FCD1.16 | 45 | 15d ago | |
| QM9 | TABASCO-hot | Validity100 | 40 | 2mo ago | |
| ZINC250k (test) | JT-VAE | Validity100 | 32 | 1mo ago | |
| QM9 (test) | MiCaM | Validity99.93 | 32 | 2mo ago | |
| jak2 | SoftMol | Top-Hit 5% Docking Score (kcal/mol)-12.807 | 29 | 2mo ago | |
| 5ht1b | SoftMol | Docking Score (Top-Hit 5%, kcal/mol)-13.903 | 29 | 2mo ago | |
| fa7 | SoftMol | Top-Hit 5% Docking Score (kcal/mol)-11.235 | 29 | 2mo ago | |
| parp1 | SoftMol | Top-Hit 5% Docking Score (kcal/mol)-14.168 | 29 | 2mo ago | |
| braf | SoftMol | Top-Hit 5% Docking Score (kcal/mol)-13.43 | 28 | 2mo ago | |
| QM9 | LO-ARM | Validity99.85 | 26 | 15d ago | |
| ZINC250K | CSMC | QED0.922 | 25 | 3mo ago | |
| QM9 | CSMC | QED61.9 | 25 | 3mo ago | |
| JAK2 | MOOD | Novel Hit Ratio920 | 21 | 15d ago | |
| 5HT1B | SDG | Novel Hit Ratio22.69 | 21 | 15d ago | |
| FA7 | ChemBFN | Novel Hit Ratio585.3 | 21 | 15d ago | |
| SMolInstruct | SciCore-Mol | RDK-FTS (%)70 | 14 | 12d ago | |
| ZINC | CatFlow | Validity99.2 | 14 | 3mo ago | |
| QM9 | HGDM | Validity (w/o correction)98.02 | 13 | 2mo ago | |
| BRAF | ChemBFN | Novel Hit Ratio534 | 12 | 2mo ago | |
| PARP1 | MOOD | Novel Hit Ratio701.7 | 12 | 2mo ago | |
| jak2 | SoftMol | # Circles330 | 12 | 3mo ago | |
| braf | SoftMol | #Circles291.7 | 12 | 3mo ago | |
| 5ht1b | RationaleRL | # Circles312.7 | 12 | 3mo ago | |
| fa7 | SoftMol | #Circles254.3 | 12 | 3mo ago |
