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>).

Version: 1.9
Depends: R (≥ 2.10)
Imports: deSolve, msm, data.table, survey, mvtnorm, truncnorm, stats, utils, magrittr
Suggests: ggplot2, knitr, rmarkdown, R.rsp, GGally, gplots, scales, EnvStats, MASS, RColorBrewer, TeachingDemos, classInt, ks, reshape2, gdata, viridis, CensRegMod, gmodels, colorspace
Published: 2019-02-04
Author: John Wambaugh [aut, cre], Robert Pearce [aut], Caroline Ring [aut], Greg Honda [aut], Jimena Davis [ctb], Nisha Sipes [ctb], Barbara Wetmore [ctb], Woodrow Setzer [ctb]
Maintainer: John Wambaugh <wambaugh.john at>
License: GPL-3
NeedsCompilation: yes
Citation: httk citation info
Materials: NEWS
CRAN checks: httk results


Reference manual: httk.pdf
Vignettes: Honda et al. (submitted): Updated Armitage et al. (2014) Model
Creating Partition Coefficient Evaluation Plots
Age distributions
Global sensitivity analysis
Global sensitivity analysis plotting
Height and weight spline fits and residuals
Hematocrit spline fits and residuals
Plotting Css95
Serum creatinine spline fits and residuals
Generating subpopulations
Evaluating HTTK models for subpopulations
Generating Figure 2
Generating Figure 3
Plotting Howgate/Johnson data
AER plotting
Virtual study populations
Wambaugh et al. (2018): Creating All Figures
Package source: httk_1.9.tar.gz
Windows binaries: r-devel:, r-release:, r-oldrel:
OS X binaries: r-release: httk_1.9.tgz, r-oldrel: httk_1.9.tgz
Old sources: httk archive

Reverse dependencies:

Reverse imports: plethem


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