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ResearchFormerly WizWand

Regression on Lipo (scaffold split)

0.65RMSED-MPNN
0.64080.70290.7650.8271Aug 25, 2023
Updated 8mo ago

Evaluation results

MethodLinks
D-MPNNMolecules=4,200, Tasks=12023.080.65
SYN-FUSION Hu et. alMolecules=4,200, Tasks=12023.080.7
SYN-FUSION MolCLRMolecules=4,200, Tasks=12023.080.72
Hu et al.Molecules=4,200, Tasks=12023.080.74
MolCLR_GINMolecules=4,200, Tasks=12023.080.79
SVMMolecules=4,200, Tasks=12023.080.82
GCNMolecules=4,200, Tasks=12023.080.85
GINMolecules=4,200, Tasks=12023.080.85
RFMolecules=4,200, Tasks=12023.080.88