Computational determination of hERG-related cardiotoxicity of drug candidates

BMC Bioinformatics

Table 3 Performance results of the top three models with optimized thresholds

Algorithm	Threshold	Accuracy	MCC	Sensitivity	Specificity	PPV^a
Logistic regression	0.57	0.814	0.307	0.557	0.844	0.292
Neural network	0.82	0.901	0.368	0.321	0.967	0.542
Ridge regression	0.64	0.864	0.332	0.448	0.912	0.371

^aPPV: Positive predictive value is defined as the number of true positives/(the number of true positives + the number of false positives)

ISSN: 1471-2105