PubChem-STM
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Element-specific Counting | PubChem-STM (test) | Mean Absolute Error0.339 | 16 | |
| Graph to SMILES | PubChem-STM (test) | Accuracy0.8566 | 8 | |
| SMILES to Graph | PubChem-STM (test) | Accuracy94.65 | 8 | |
| Substructure Recognition | PubChem-STM (test) | Accuracy98.14 | 8 | |
| Formula Convert | PubChem-STM (test) | Accuracy44.04 | 8 | |
| Total Bond Counting | PubChem-STM (test) | MAE1.158 | 8 | |
| Heavy Atom Counting | PubChem-STM (test) | MAE1.223 | 8 |
Showing 7 of 7 rows