Table 1. Five compounds prioritized by the toxicity filtering pipeline.
LD99.99 is calculated by fitting a four-parameter dose-response curve to the CFU/mL vs compound concentrations graphs in the presence or absence of 0.55 mM BSA, extracting the Hill slope and IC50, and solving for the concentration needed to reduce the bacterial load by 4 log CFU/mL. Tanimoto similarity to most similar known antibiotic is computed with RDKit fingerprints.
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