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Molecular prediction on Tox21 full-shot (test)

80.9ROC-AUCSUPTsoft
71.874.162576.52578.8875Feb 16, 2024

Evaluation results

MethodLinks
SUPTsoftPre-training Strategy=EdgePred2024.0280.9
SUPThardPre-training Strategy=EdgePred2024.0280.76
SUPTsoftPre-training Strategy=ContextPred2024.0280.12
SUPThardPre-training Strategy=ContextPred2024.0280
GPF-plusPre-training Strategy=ContextPred2024.0279.95
GPF-plusPre-training Strategy=EdgePred2024.0279.91
GPFPre-training Strategy=ContextPred2024.0279.9
SUPTsoftPre-training Strategy=AttrMasking2024.0279.73
GPFPre-training Strategy=EdgePred2024.0279.69
SUPThardPre-training Strategy=AttrMasking2024.0279.5
SUPThardPre-training Strategy=Infomax2024.0279.14
SUPTsoftPre-training Strategy=Infomax2024.0278.98
GPF-plusPre-training Strategy=AttrMasking2024.0278.83
FTPre-training Strategy=EdgePred2024.0278.67
GPFPre-training Strategy=AttrMasking2024.0278.66
FTPre-training Strategy=Infomax2024.0278.57
GPF-plusPre-training Strategy=Infomax2024.0278.5
FTPre-training Strategy=ContextPred2024.0278.29
FTPre-training Strategy=AttrMasking2024.0278.28
GPFPre-training Strategy=Infomax2024.0278.13
SUPThardPre-training Strategy=GCL2024.0273.44
SUPTsoftPre-training Strategy=GCL2024.0273.4
FTPre-training Strategy=GCL2024.0273.35
GPF-plusPre-training Strategy=GCL2024.0273.06
GPFPre-training Strategy=GCL2024.0272.15