Extended Data Fig. 10: Exploration of a structural class through structure-activity relationships.
From: Discovery of a structural class of antibiotics with explainable deep learning
a, The rationale of compounds 1 and 2, overlaid with chemical modifications (R1-R8) that encompass all compounds used to test SAR (Supplementary Data 2). SAR, structure-activity relationships. b, Analogues of compounds 1 and 2 found to have varying degrees of activity against S. aureus. Corresponding MIC and IC50 values are representative of two biological replicates.