Fig. 5
From: eToxPred: a machine learning-based approach to estimate the toxicity of drug candidates
Performance of eToxPred in the prediction of toxic molecules. (a) The receiver operating characteristic plot and (b) the Matthews correlation coefficient (MCC) plotted as a function of the varying Tox-score. TPR and FPR are the true and false positive rates, respectively. Gray areas correspond to the performance of a random classifier. eToxPred is first applied to the primary training set (FDA-approved / TOXNET, solid black lines) to select the optimum Tox-score threshold. Then, the optimized eToxPred is applied to the independent testing set (KEGG-Drug and T3DB, solid black stars)