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ResearchFormerly WizWand

Regression on ESOL (scaffold split)

0.89RMSESYN-FUSION MolCLR
0.86561.03031.1951.3597Aug 25, 2023
Updated 8mo ago

Evaluation results

MethodLinks
SYN-FUSION MolCLRMolecules=1,128, Tasks=12023.080.89
SYN-FUSION Hu et. alMolecules=1,128, Tasks=12023.080.96
D-MPNNMolecules=1,128, Tasks=12023.080.98
RFMolecules=1,128, Tasks=12023.081.07
Hu et al.Molecules=1,128, Tasks=12023.081.22
MolCLR_GINMolecules=1,128, Tasks=12023.081.29
GCNMolecules=1,128, Tasks=12023.081.43
GINMolecules=1,128, Tasks=12023.081.45
SVMMolecules=1,128, Tasks=12023.081.5