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Table 5 Performance comparison on the in vivo test dataset

From: Computational determination of hERG-related cardiotoxicity of drug candidates

Models Accuracy MCC Sensitivity Specificity
Our model 0.800 0.655 0.600 1.000
Pred-hERG binary 0.300 −0.500 0.600 0.000
Pred-hERG multiclass 0.600 0.333 0.200 1.000
OCHEM Predictor 0.600 0.333 0.200 1.000