Regression on QM9 (scaffold split)
1.892MAESYN-FUSION MolCLR
Evaluation Results
| Method | Links | |
|---|---|---|
| SYN-FUSION MolCLRMolecules=130,829, Tasks=82023.08 | 1.892 | |
| SYN-FUSION Hu et. alMolecules=130,829, Tasks=82023.08 | 1.947 | |
| MolCLR_GINMolecules=130,829, Tasks=82023.08 | 2.933 | |
| D-MPNNMolecules=130,829, Tasks=82023.08 | 3.241 | |
| Hu et al.Molecules=130,829, Tasks=82023.08 | 4.349 | |
| GINMolecules=130,829, Tasks=82023.08 | 4.741 | |
| GCNMolecules=130,829, Tasks=82023.08 | 5.796 | |
| RFMolecules=130,829, Tasks=82023.08 | 16.061 | |
| SVMMolecules=130,829, Tasks=82023.08 | 24.613 |