Fig. visualizes the w vector of our interpretable MACCS-FP-SVM, trained on all of the data and with the optimal C hyperparameter found in Fig. (C = 0.1). We inspect the molecular patterns corresponding with the four most positive (top) and four most negative (bottom) coefficients (bars decorated with * )-associated with predictions of toxicity and non-toxicity, respectively. Their MACCS keybits and SMARTS strings specifying the molecular pattern they look for are shown. We also show an example molecule in the data set exhibiting that pattern (see highlight); the molecules on the top (bottom) were correctly predicted to be toxic (non-toxic).