Molecular Property Prediction on Lipophilicity (scaffold)
0.6RMSEKPGT
Evaluation Results
| Method | Links | |
|---|---|---|
| KPGTSplit=scaffold2023.04 | 0.6 | |
| MolCLRSplit=scaffold2023.04 | 0.65 | |
| GEMSplit=scaffold2023.04 | 0.66 | |
| GraphMVP-CSplit=scaffold2023.04 | 0.681 | |
| D-MPNNSplit=scaffold2023.04 | 0.683 | |
| SELFormerSplit=scaffold2023.04 | 0.735 | |
| Hu et al.Split=scaffold2023.04 | 0.74 | |
| GCNSplit=scaffold2023.04 | 0.85 | |
| GINSplit=scaffold2023.04 | 0.85 | |
| SchNetSplit=scaffold2023.04 | 0.91 | |
| ChemBERTa-2Split=scaffold2023.04 | 0.986 | |
| MGCNSplit=scaffold2023.04 | 1.11 |