| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Retrosynthesis | USPTO-50k Reaction type unknown (test) | Top-1 Accuracy57.2 | 59 | |
| Retrosynthesis prediction | USPTO-FULL (test) | Top-1 Acc63.4 | 59 | |
| Retrosynthetic Planning | USPTO | Success Rate99.47 | 50 | |
| Retrosynthesis | USPTO-50k Reaction type known (test) | Top-1 Accuracy67.2 | 50 | |
| Chemistry | USPTO | Accuracy64.5 | 48 | |
| Synthesis Planning | USPTO-190 | Success Rate100 | 42 | |
| Retrosynthesis prediction | USPTO-50k (test) | Top-1 Accuracy99.8 | 39 | |
| Retrosynthesis | USPTO-50K | Top-1 Accuracy77.4 | 33 | |
| Retrosynthesis planning | USPTO Easy | Solve Rate100 | 30 | |
| Retrosynthetic Planning | USPTO-EXT (test) | Success Rate72.89 | 30 | |
| Single-step retrosynthesis | USPTO-50K (test) | Top-1 Accuracy75.4 | 22 | |
| Retrosynthesis prediction | USPTO-50k | Top-1 Acc (Unknown)55.2 | 22 | |
| Chemical Reaction Prediction | USPTO50k | Accuracy (%)75.1 | 21 | |
| Retrosynthesis | USPTO-50k With Reaction Type | Top-1 Accuracy75.7 | 18 | |
| Retrosynthesis | USPTO-50K unknown reaction types (test) | Top-1 Accuracy54.2 | 17 | |
| Multi-step Synthesis | USPTO-190 | Success Rate95 | 14 | |
| Retrosynthesis (reaction class not given) | USPTO-50k (test) | Top-1 Acc54.6 | 14 | |
| Optical Chemical Structure Recognition | USPTO-10K | Accuracy (Exact Match)96.1 | 12 | |
| Optical Chemical Structure Recognition | USPTO 5719 | Exact Match Accuracy93.4 | 12 | |
| Single-step retrosynthesis reaction prediction | USPTO-50k GLN | Top-1 Accuracy62.5 | 11 | |
| Patent Classification | USPTO-70k | Micro F153.1 | 11 | |
| Retrosynthesis | USPTO (test) | Exact Match0.536 | 11 | |
| Forward Reaction Prediction | USPTO (test) | Exact Match53.6 | 11 | |
| Retrosynthetic planning | USPTO 190 target molecules | Path Length4.78 | 11 | |
| Reactant Prediction | USPTO-50k (test) | Reactants Accuracy75 | 10 |