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Drug target binding affinity prediction research benchmarks · SOTA2 Research

Drug target binding affinity prediction

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

PDBbind Core Set v2016

1.099RMSE

47

Jun 15, 2026

DrugOOD EC50 measurement 13 (Size)

0.671ROC AUC

12

Feb 26, 2026

DrugOOD EC50 measurement 13 (Scaffold)

67.79ROC AUC

12

Feb 26, 2026

DrugOOD EC50 measurement 13 (Assay)

0.775ROC AUC

12

Feb 26, 2026

DrugOOD IC50 measurement 13 (Size)

0.679ROC AUC

12

Feb 26, 2026

DrugOOD IC50 measurement 13 (Scaffold)

0.691ROC AUC

12

Feb 26, 2026

DrugOOD IC50 measurement 13 (Assay)

72.11ROC-AUC

12

Feb 26, 2026

Popular datasets

DrugOOD PDBBind

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