The S. aureus FabI dataset have pIC50 values with a mean 𝑥̄= 6.01, median 𝑄 2 = 6.0, and third quartile 𝑄 3 = 6.61. The closeness of x̄ and 𝑄 2 suggests a relatively symmetric distribution. We performed a Bemis & Murcko scaffold analysis on the top 25% most active inhibitors (those above 𝑄 3 ), identifying 59 compounds in total and 31 unique frameworks. Because of the dataset size and its structural diversity (visualized in Figure ), only the top eleven scaffolds had multiple inhibitors, whereas 20 were unique.