Regression on Lipo (scaffold split)
0.65RMSED-MPNN
Evaluation Results
| Method | Links | |
|---|---|---|
| D-MPNNMolecules=4,200, Tasks=12023.08 | 0.65 | |
| SYN-FUSION Hu et. alMolecules=4,200, Tasks=12023.08 | 0.7 | |
| SYN-FUSION MolCLRMolecules=4,200, Tasks=12023.08 | 0.72 | |
| Hu et al.Molecules=4,200, Tasks=12023.08 | 0.74 | |
| MolCLR_GINMolecules=4,200, Tasks=12023.08 | 0.79 | |
| SVMMolecules=4,200, Tasks=12023.08 | 0.82 | |
| GCNMolecules=4,200, Tasks=12023.08 | 0.85 | |
| GINMolecules=4,200, Tasks=12023.08 | 0.85 | |
| RFMolecules=4,200, Tasks=12023.08 | 0.88 |