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>).

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Description file content

Package
httk
Version
1.10.0
Date
2019-07-10
Title
High-Throughput Toxicokinetics
Description
Functions and data tables for simulation and statistical analysis of chemical toxicokinetics ("TK") as in Pearce et al. (2017) . 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 ) and measurement limitations. Calibrated methods are included for predicting tissue:plasma partition coefficients and volume of distribution (Pearce et al., 2017 ). 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 ).
Depends
R (>= 2.10)
Imports
deSolve, msm, data.table, survey, mvtnorm, truncnorm, stats, graphics, utils, magrittr
Suggests
ggplot2, knitr, rmarkdown, R.rsp, GGally, gplots, scales, EnvStats, MASS, RColorBrewer, TeachingDemos, classInt, ks, stringr, reshape, reshape2, gdata, viridis, CensRegMod, gmodels, colorspace
License
GPL-3
LazyData
true
VignetteBuilder
knitr, R.rsp
RoxygenNote
6.1.1
URL
BugReports
https://github.com/USEPA/CompTox-ExpoCast-httk
NeedsCompilation
yes
Packaged
2019-07-11 18:32:16 UTC; jwambaug
Author
John 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]
Maintainer
John Wambaugh
Repository
CRAN
Date/Publication
2019-07-11 22:21:25 UTC

install.packages('httk')

1.10.0

6 days ago

John Wambaugh

GPL-3

Depends on

R (>= 2.10)

Imports

deSolve, msm, data.table, survey, mvtnorm, truncnorm, stats, graphics, utils, magrittr

Suggests

ggplot2, knitr, rmarkdown, R.rsp, GGally, gplots, scales, EnvStats, MASS, RColorBrewer, TeachingDemos, classInt, ks, stringr, reshape, reshape2, gdata, viridis, CensRegMod, gmodels, colorspace

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