Molecular Property Prediction
Molecular property prediction is the task of predicting the properties of a molecule from its structure.
Papers
Showing 1–10 of 354 papers
Benchmark Results
| # | Model | Metric | Claimed | Verified | Status |
|---|---|---|---|---|---|
| 1 | DumplingGNN | ROC-AUC | 96.4 | — | Unverified |
| 2 | ChemBFN | ROC-AUC | 95.74 | — | Unverified |
| 3 | MTL-BERT | ROC-AUC | 93 | — | Unverified |
| 4 | XGBoost | ROC-AUC | 90.5 | — | Unverified |
| 5 | SELFormer | ROC-AUC | 90.2 | — | Unverified |
| 6 | STL-BERT | ROC-AUC | 89.6 | — | Unverified |
| 7 | Cano-BERT | ROC-AUC | 89.2 | — | Unverified |
| 8 | AttrMasking | ROC-AUC | 89.2 | — | Unverified |
| 9 | AttentiveFP | ROC-AUC | 85.5 | — | Unverified |
| 10 | Deep-CBN | ROC-AUC | 75.8 | — | Unverified |