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. 170 ToxCast Phase II 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 2 (2015) and the first phase is available here (2012).
Number of Chemicals: 178