armitage_input

Armitage et al. (2014) Model Inputs from Honda et al. (submitted)

data

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>).

John Wambaugh

httk

High-Throughput Toxicokinetics

Robert Pearce

Caroline Ring

Greg Honda

Jimena Davis

Nisha Sipes

Barbara Wetmore

Woodrow Setzer

armitage_input function

A data frame with 53940 rows and 10 variables:<dl class="dl-horizontal">
 <dt>MP</dt><dd></dd>
 <dt>MW</dt><dd></dd> 
 <dt>casrn</dt><dd></dd>
 <dt>compound_name</dt><dd></dd>
 <dt>gkaw</dt><dd></dd>
 <dt>gkow</dt><dd></dd>
 <dt>gswat</dt><dd></dd>
</dl>

Format

Armitage et al. (2014) Model Inputs from Honda et al. (submitted) — armitage_input

A data frame with 53940 rows and 10 variables:<dl class='dl-horizontal'>
 <dt>MP</dt><dd></dd>
 <dt>MW</dt><dd></dd> 
 <dt>casrn</dt><dd></dd>
 <dt>compound_name</dt><dd></dd>
 <dt>gkaw</dt><dd></dd>
 <dt>gkow</dt><dd></dd>
 <dt>gswat</dt><dd></dd>
</dl>

Armitage et al. (2014) Model Inputs from Honda et al. (submitted)

armitage_input: Armitage et al. (2014) Model Inputs from Honda et al. (submitted)

Description

Usage

Arguments

Format

References