Figure 1.

Machine learning algorithm comparisons for ChEMBL datasets across multiple five-fold cross-validation metrics based on the rank normalized scores. A) Rank normalized score and B) ∆RNS distributions. Truncated violin plots are shown with minimal smoothing to retain an accurate distribution representation. The solid central line represents the median with the quarterlies indicated. AC = Assay Central (Bayesian), RF = Random Forest, Knn = k-Nearest Neighbors, SVC = Support Vector Classification, Bnb = Naïve Bayesian, Ada = AdaBoosted Decision Trees, DL = Deep Learning.