Regression on ESOL (scaffold split)
0.89RMSESYN-FUSION MolCLR
Evaluation Results
| Method | Links | |
|---|---|---|
| SYN-FUSION MolCLRMolecules=1,128, Tasks=12023.08 | 0.89 | |
| SYN-FUSION Hu et. alMolecules=1,128, Tasks=12023.08 | 0.96 | |
| D-MPNNMolecules=1,128, Tasks=12023.08 | 0.98 | |
| RFMolecules=1,128, Tasks=12023.08 | 1.07 | |
| Hu et al.Molecules=1,128, Tasks=12023.08 | 1.22 | |
| MolCLR_GINMolecules=1,128, Tasks=12023.08 | 1.29 | |
| GCNMolecules=1,128, Tasks=12023.08 | 1.43 | |
| GINMolecules=1,128, Tasks=12023.08 | 1.45 | |
| SVMMolecules=1,128, Tasks=12023.08 | 1.5 |