USEPA/CompTox-ExpoCast-httk: High-Throughput Toxicokinetics

Functions and data tables for simulation and statistical analysis of chemical toxicokinetics ("TK") as in Pearce et al. (2017) <doi:10.18637/jss.v079.i04>. Chemical-specific in vitro data have been obtained from relatively high throughput experiments. Both physiologically-based ("PBTK") and empirical (e.g., one compartment) "TK" models can be parameterized for several hundred chemicals and multiple species. These models are solved efficiently, often using compiled (C-based) code. A Monte Carlo sampler is included for simulating biological variability (Ring et al., 2017 <doi:10.1016/j.envint.2017.06.004>) and measurement limitations. Calibrated methods are included for predicting tissue:plasma partition coefficients and volume of distribution (Pearce et al., 2017 <doi:10.1007/s10928-017-9548-7>). These functions and data provide a set of tools for in vitro-in vivo extrapolation ("IVIVE") of high throughput screening data (e.g., Tox21, ToxCast) to real-world exposures via reverse dosimetry (also known as "RTK") (Wetmore et al., 2015 <doi:10.1093/toxsci/kfv171>).

Getting started

Package details

AuthorJohn Wambaugh [aut, cre], Robert Pearce [aut], Caroline Ring [aut], Greg Honda [aut], Mark Sfeir [aut], Jimena Davis [ctb], James Sluka [ctb], Nisha Sipes [ctb], Barbara Wetmore [ctb], Woodrow Setzer [ctb]
MaintainerJohn Wambaugh <[email protected]>
LicenseGPL-3
Version1.10.1
URL https://www.epa.gov/chemical-research/rapid-chemical-exposure-and-dose-research
Package repositoryView on GitHub
Installation Install the latest version of this package by entering the following in R:
install.packages("remotes")
remotes::install_github("USEPA/CompTox-ExpoCast-httk")
USEPA/CompTox-ExpoCast-httk documentation built on Sept. 10, 2019, 9:23 p.m.