Results of the external validation set with the top six models of the five-fold cross-validation. HDAC1, histone deacetylase 1 inhibitors; CA, classification accuracy; SE, sensitivity; SP, specificity; AUC, area under the receiver operating characteristic curve; FP, CDK Fingerprint; Ext, CDK extended fingerprint; MACCS, MACCS keys; KR, Klekota-Roth fingerprint; SVM, support vector machine; RF, random forest.
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