FIG. 3.

POD distribution of AIs (111 substances) identified in the AroER tri-screen assay in qHTS format grouped by chemical structure. Substances that do not cluster with other substances based on defined similarity cutoff are labeled as singletons (Cluster ID = 0). The substances are annotated: the red or gray color is used to distinguish the high-efficacy (>70%, red) compounds from the low-efficacy compounds (≤ 70%, gray); the known AIs are labeled (hollow triangle); the 14 selected compounds for testing in the tritiated water-release assay are highlighted (blue hollow circle). Full color version available online.