fup_uc_cheminfo

The chemical ID mapping information from mass spectrometry measurements of plasma protein binding (PPB) via 
ultracentrifugation (UC) for per- and poly-fluorinated alkyl substance
(PFAS) samples. Experiments were led by Dr.s Marci Smeltz and Barbara Wetmore 
smeltz2023plasmainvitroTKstats. 
This data set contains 75 unique compounds/chemicals.

data

A set of tools for processing and analyzing in vitro toxicokinetic
measurements in a standardized and reproducible pipeline. The package
was developed to perform frequentist and Bayesian estimation on a
variety of in vitro toxicokinetic measurements including -- but not
limited to -- chemical fraction unbound in the presence of plasma
(f_up), intrinsic hepatic clearance (Clint,
uL/min/million hepatocytes), and membrane permeability for
oral absorption (Caco2). The methods provided
by the package were described in Wambaugh et al. (2019) <doi:10.1093/toxsci/kfz205>.

Caroline Ring

invitroTKstats

In Vitro Toxicokinetic Data Processing and Analysis Pipeline

John Wambaugh

Sarah E. Davidson-Fritz

Lindsay Knupp

Barbara A. Wetmore

Zhao Zhihui

Chantel Nicolas

Anna Kreutz

U.S. Federal Government 

fup_uc_cheminfo function

A chemical info data.frame with 75 rows and 4 variables:<dl>
<dt><code>DTXSID</code></dt>
<dd>DSSTox Substance Identifier (CompTox Chemicals Dashboard - CCD)</dd><dt><code>Chemical Name (Common Abbreviation)</code></dt>
<dd>Name of the test analyte/compound and abbreviation used by the lab as the compound ID</dd><dt><code>Compound</code></dt>
<dd>Name of the test analyte/compound</dd><dt><code>Chem.Lab.ID</code></dt>
<dd>Common abbreviation of the test analyte/compound as described in the laboratory</dd>
</dl>

Format

Fup UC Chemical Information Example Data set — fup_uc_cheminfo

A chemical info data.frame with 75 rows and 4 variables:<dl>
<dt><code>DTXSID</code></dt>
<dd>DSSTox Substance Identifier (CompTox Chemicals Dashboard - CCD)</dd>

<dt><code>Chemical Name (Common Abbreviation)</code></dt>
<dd>Name of the test analyte/compound and abbreviation used by the lab as the compound ID</dd>

<dt><code>Compound</code></dt>
<dd>Name of the test analyte/compound</dd>

<dt><code>Chem.Lab.ID</code></dt>
<dd>Common abbreviation of the test analyte/compound as described in the laboratory</dd>


</dl>

Fup UC Chemical Information Example Data set

fup_uc_cheminfo: Fup UC Chemical Information Example Data set

Description

Usage

Arguments

Format

References