Table . Performance metrics across various similarity ranges. Balanced Accuracy (BAccuracy), Recall, Precision, and Specificity were calculated and reported for each range of Maximum Tanimoto similarity of the external test set compounds to the training set. Colors indicate 'bins' of molecular similarity to allow for an easy comparison. For each bin, the number of molecular pairs, along with their distribution into 'positive' (P) and 'negative' (N) pairs, are reported.