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ResearchFormerly WizWand

Molecule Classification on PCBA scaffold (test)

0.292PR AUCGINE+
0.19840.22270.2470.2713Nov 30, 2020
Updated 8mo ago

Evaluation results

MethodLinks
GINE+K parameter=3, Virtual Node (VN)=true2020.110.292
GINE+K parameter=2, Virtual Node (VN)=true2020.110.286
NaiveGINE+K parameter=3, Virtual Node (VN)=true2020.110.279
DeeperGCN2020.110.278
HIMP2020.110.274
GINE+K parameter=1, Virtual Node (VN)=true2020.110.274
GINEVirtual Node (VN)=true2020.110.27
GCNVirtual Node (VN)=true2020.110.242
GINEVirtual Node (VN)=false2020.110.227
GCNVirtual Node (VN)=false2020.110.202