Fig. 9
From: How can SHAP values help to shape metabolic stability of chemical compounds?
Tanimoto coefficients between training and test set for a, b the closest neighbour, c, d all training and test set representatives. The figure presents histograms of Tanimoto coefficients calculated between each representative of the training set and each element from the test set. a, b report only the highest values calculated for particular element from the test set and c, d present outcome of all pairwise comparisons