Description: Data from the Wetmore et al. paper Integration of dosimetry, exposure, and high-throughput screening data in chemical toxicity assessment. Hepatic metabolic clearance and plasma protein binding data were experimentally measured for ca. 240 ToxCast Phase I chemicals. The experimental data were used in a population-based in vitro-to-in vivo (IVIVE) extrapolation model to estimate the daily human oral dose, called the oral equivalent dose, necessary to produce steady-state in vivo blood concentrations equivalent to in vitro AC(50) (concentration at 50% of maximum activity) or lowest effective concentration values across more than 500 in vitro assays. The work was split into two phases. This is phase 1 (2012) and the second phase is available here (2015).
Number of Chemicals: 238