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>).

Package overview Frank et al. (2018): Creating Figure Six (IVIVE)" Honda et al. (2019): Updated Armitage et al. (2014) Model" Linakis et al. (Submitted): Analysis and Figure Generation" Pearce et al. (2017) Figures in Partition Coefficient Evaluation" Ring et al. (2017) AER plotting" Ring et al. (2017) Plotting Howgate/Johnson data" Ring et al. (2017) Vignette 1: Generating subpopulations" Ring et al. (2017) Vignette 2: Evaluating HTTK models for subpopulations" Ring et al. (2017) Vignette 3: Generating Figure 2" Ring et al. (2017) Vignette 4: Generating Figure 3" Ring et al. (2017) Virtual study populations" Wambaugh et al. (2018): Creating All Figures" Wambaugh et al. (2019): Creating Figures for the Manuscript"

Vignettes Man pages API and functions Files

Package details
Author	John Wambaugh [aut, cre] (<https://orcid.org/0000-0002-4024-534X>), Robert Pearce [aut] (<https://orcid.org/0000-0003-3168-4049>), Caroline Ring [aut] (<https://orcid.org/0000-0002-0463-1251>), Greg Honda [aut] (<https://orcid.org/0000-0001-7713-9850>), Mark Sfeir [aut], Matt Linakis [aut] (<https://orcid.org/0000-0003-0526-2395>), Jimena Davis [ctb], James Sluka [ctb] (<https://orcid.org/0000-0002-5901-1404>), Nisha Sipes [ctb] (<https://orcid.org/0000-0003-4203-6426>), Barbara Wetmore [ctb], Woodrow Setzer [ctb] (<https://orcid.org/0000-0002-6709-9186>)
Maintainer	John Wambaugh <wambaugh.john@epa.gov>
License	GPL-3
Version	2.0.1
URL	https://www.epa.gov/chemical-research/rapid-chemical-exposure-and-dose-research
Package repository	View on CRAN
Installation	Install the latest version of this package by entering the following in R: `install.packages("httk")`