Molecular Solubility Prediction on ZINC-12K (test)
0.0698MAESpec-GN
Evaluation results
| Method | Links | |
|---|---|---|
| Spec-GNNo. Params=503k2023.02 | 0.0698 | |
| GPS2023.02 | 0.07 | |
| GraphormerNo. Params=489k2023.02 | 0.122 | |
| MGT + WavePENo. Params=499k2023.02 | 0.131 | |
| SANNo. Params=509k2023.02 | 0.139 | |
| PNANo. Params=387k2023.02 | 0.142 | |
| MPNNNo. Params=418k2023.02 | 0.145 | |
| GatedGCNNo. Params=505k2023.02 | 0.214 | |
| GCNNo. Params=505k2023.02 | 0.367 | |
| GATNo. Params=531k2023.02 | 0.384 | |
| GINENo. Params=510k2023.02 | 0.526 |