Extended Data Fig. 7: Closest active training set compounds to, and selectivities of, four validated hits associated with rationale groups G1-G5.

a, Closest active compounds (right), as measured by Tanimoto similarity, are from the training set of 39,312 compounds. Compounds are colored according to associated rationale groups (as indicated in parentheses), and the identifier and Tanimoto similarity score of each closest active compound are displayed. b, S. aureus MIC and human cell IC₅₀ values of the four compounds in (a), shown on a log scale. Bars show the means of two biological replicates (points) and are colored by the bacterial strain, human cell type, or media condition tested. Asterisks indicate values larger than 128 µg/mL.