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. Author manuscript; available in PMC: 2023 Feb 9.
Published in final edited form as: Comput Toxicol. 2018 Nov;8:1–12. doi: 10.1016/j.comtox.2018.08.003

Table 2.

Data extracted from the original ToxCast hit-call matrix showing: 1) the number of chemicals that were active (numbers within parentheses give the number of chemicals with associated SMILES strings), 2) the number of those chemicals that contain any of the structural alerts developed by Mellor et al. (2016b), and 3) the number of chemicals that contain at least one structural alert for the specific nuclear receptor (numbers within parentheses are the percentage of chemicals with SMILES strings that contain a nuclear receptor specific structural alert).

Nuclear Receptor Number of chemicals active in at least 1 assay Number of chemicals triggering any alert Number of chemicals triggering nuclear receptor specific structural alert
AHR 974 (954) 740 302 (32%)
ER 2840 (2677) 1837 1154 (43%)
FXR 1177 (1127) 904 134 (12%)
GR 941 (858) 710 383 (45%)
LXR 148 (142) 96 8 (6%)
PPAR 1584 (1517) 1119 557 (38%)
PXR 1533 (1467) 961 244 (17%)
RAR 339 (318) 242 1 (0%)
RXR 632 (596) 364 14 (2%)