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. 2021 Jun 21;61(7):3255–3272. doi: 10.1021/acs.jcim.1c00451

Table 1. Overview of Collected Assay Data.

database/endpoint description source
ToxCast database • 222 high-throughput screening assays, including endpoints related to cell cycle and morphology control, steroid hormone homeostasis, DNA-binding proteins, and other protein families (e.g., kinases, cytochromes, and transporters) ToxCast database version 3.324
eMolTox database • 136 in vitro assays, including endpoints related to mutagenicity, cytotoxicity, hormone homeostasis, neurotransmitters, and several protein families (e.g., nuclear receptors, cytochromes, and cell surface receptors) Ji et al.25
genotoxicity • AMES mutagenicity assay AMES assay: eChemPortal,26 Benigni et al.,28 Hansen et al.29
• chromosome aberration (CA) assay
• mammalian mutagenicity (MM) assay CA and MM assays: eChemPortal, Benigni et al.
bioavailability • human oral bioavailability assay Falcón-Cano et al.27
permeability • Caco-2 assay Wang et al.30
thyroid hormone homeostasis • deiodinases 1, 2, and 3 inhibition assays Garcia de Lomana et al.31
• thyroid peroxidase inhibition assay
• sodium iodide symporter inhibition assay
• thyroid hormone receptor antagonism assay
• thyrotropin-releasing hormone receptor antagonism assay
• thyroid stimulating hormone receptor agonism and antagonism assays
P-glycoprotein inhibition • P-glycoprotein (ABCB1) inhibition assay Broccatelli et al.32