Additional file 2 of Inverse similarity and reliable negative samples for drug side-effect prediction
Yi Zheng, Hui Peng, Shameek Ghosh, Chaowang Lan, Jinyan Li · Figshare · 2019
The supplementary results for this work. This file contains lists of researched drugs and side-effects, and all prediction results. Table S1: List of 917 drugs studied in this work. Drug names, drug target proteins, substituents of drugs, ATC codes and the SMILES strings are included as well. Table S2: List of 500 side-effect terms studied in this work. Table S3: F1-scores of different similarity measurements and different similarity integration methods using KNN. Table S4: F1-scores of different classifiers using the comprehensive similarity on balanced and imbalanced training sets. Table S5: F1-scores of different classifiers using the proposed negative sample selection method and random sample selection method. (XLSX 857 kb)