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ResearchFormerly WizWand

Molecule Classification on MUV scaffold (test)

14.9PRC-AUCDeeperGCN
5.8528.20110.5512.899Nov 30, 2020
Updated 8mo ago

Evaluation results

MethodLinks
DeeperGCN2020.1114.9
GCNVirtual Node (VN)=false2020.1111.5
HIMP2020.1111.4
GINEVirtual Node (VN)=true2020.1110.7
GINE+K parameter=3, Virtual Node (VN)=true2020.1110.6
GCNVirtual Node (VN)=true2020.1110.5
GINEVirtual Node (VN)=false2020.119.1
NaiveGINE+K parameter=3, Virtual Node (VN)=true2020.116.9
GINE+K parameter=2, Virtual Node (VN)=true2020.116.7
GINE+K parameter=1, Virtual Node (VN)=true2020.116.2