Supplementary files for the article "Inverse Similarity and Reliable Negative Samples for Drug Side-effect Prediction"

Supplementary file 1: The supplementary figures for this work. Figure S1: Scatter plots of F1-scores for different classifiers using ChemTar similarity on balanced and unbalanced dataset. Figure S2: Scatter plots of F1-scores for ComNegative and ChemTarRandom using different classifiers. Supplementary file 2: The supplementary tables for this work. 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 unbalanced training sets. Table S5: F1-scores of different classifiers using the proposed negative sample selection method and random sample selection method.