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Papers Benchmarks Datasets Tasks

hERG dataset and benchmarks · SOTA2 Research

Research Datasets

hERG

Benchmarks

Task NameDataset NameSOTA MethodSort

Task NameDataset NameSOTA ResultTrendResults

Molecular Property Prediction

hERG ChEMBL

94.67AUPRC (R<0.2)

14

Covariate Shift Calibration

hERG

0.009MAD

12

Molecular Property Prediction

hERG 648 drugs

87.6AUC

12

Molecular Optimization

hERG withdrawn drugs

5.37Improvement (%)

8

Virtual screening

hERG (Leave-one-out cluster)

93.98AUPRC@R<0.2

6

Toxicity Property Prediction

hERG

75.4ROC-AUC

5

Popular tasks

Molecular property prediction Molecular Optimization Virtual Screening Toxicity Property Prediction Covariate Shift Calibration

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