Regression on QM7 scaffold
64.8RMSESYN-FUSION MolCLR
Evaluation Results
| Method | Links | |
|---|---|---|
| SYN-FUSION MolCLRMolecules=6,830, Tasks=12023.08 | 64.8 | |
| SYN-FUSION Hu et. alMolecules=6,830, Tasks=12023.08 | 67.5 | |
| MolCLR_GINMolecules=6,830, Tasks=12023.08 | 92.3 | |
| D-MPNNMolecules=6,830, Tasks=12023.08 | 105.8 | |
| Hu et al.Molecules=6,830, Tasks=12023.08 | 110.2 | |
| RFMolecules=6,830, Tasks=12023.08 | 122.7 | |
| GCNMolecules=6,830, Tasks=12023.08 | 122.9 | |
| GINMolecules=6,830, Tasks=12023.08 | 124.8 | |
| SVMMolecules=6,830, Tasks=12023.08 | 156.9 |