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Comparison of the average area under the receiver operating characteristic curves (AUC) scores across the single classifiers built using three types of descriptors: (i) molecular descriptors only, (ii) molecular fingerprint only, and (iii) molecular descriptors combined with molecular fingerprints, for 5-fold cross validations (A) and the external validation sets (B). Note: MD: molecular descriptors; SubFP: Substructure fingerprint.
