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 | Deep-CBN | ROC-AUC | 92.4 | — | Unverified |
| 2 | BioAct-Het | ROC-AUC | 89.8 | — | Unverified |
| 3 | IterRefLSTM | ROC-AUC | 83 | — | Unverified |
| 4 | Uni-Mol | ROC-AUC | 79.6 | — | Unverified |
| 5 | ChemRL-GEM | ROC-AUC | 78.1 | — | Unverified |
| 6 | PretrainGNN | ROC-AUC | 78.1 | — | Unverified |
| 7 | Autogluon | ROC-AUC | 77.84 | — | Unverified |
| 8 | MolXPT | ROC-AUC | 77.1 | — | Unverified |
| 9 | D-MPNN | ROC-AUC | 75.9 | — | Unverified |
| 10 | N-GramXGB | ROC-AUC | 75.8 | — | Unverified |