ResearchDatasetshERGhERGFollowBenchmarksTaskDatasetSOTA methodSortMost resultsRecently updatedMost papersApplyTaskDatasetSOTA resultTrendResultsMolecular Property PredictionhERG ChEMBL94.67AUPRC (R<0.2)14Covariate Shift CalibrationhERG0.009MAD12Molecular Property PredictionhERG 648 drugs87.6AUC12Molecular OptimizationhERG withdrawn drugs5.37Improvement (%)8Virtual screeninghERG (Leave-one-out cluster)93.98AUPRC@R<0.26Toxicity Property PredictionhERG75.4ROC-AUC5