kreutz2023.uc.L4

Kreutz2023.uc.L4

Bayesian estimates of plasma protein binding measured by
ultracentrifugation (UC) for per- and poly-fluorinated alkyl substance
(PFAS) samples from experiments led by Dr.s Anna Kreutz and Barbara Wetmore.

data

A collection of datasets containing 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 datasets provided by the package were
processed and analyzed with the companion 'invitroTKstats' package.

Caroline Ring

invitroTKdata

In Vitro Toxicokinetic Data Processed with the 'invitroTKstats'
Pipeline

Sarah E. Davidson-Fritz

John Wambaugh

Lindsay Knupp

Barbara A. Wetmore

Anna Kreutz

Marci Smeltz

David Crizer

U.S. Federal Government 

kreutz2023.uc.L4 function

A level-4 data.frame with 52 rows and 13 variables:<dl>
<dt><code>Compound.Name</code></dt>
<dd>Compound name</dd><dt><code>DTXSID</code></dt>
<dd>DSSTox Substance Identifier (CompTox Chemicals Dashboard)</dd><dt><code>Lab.Compound.Name</code></dt>
<dd>Compound as described in the laboratory</dd><dt><code>Fstable.Med</code></dt>
<dd>Posterior median chemical stability fraction</dd><dt><code>Fstable.Low</code></dt>
<dd>Posterior 2.5th quantile chemical stability fraction (lower credible interval bound)</dd><dt><code>Fstable.High</code></dt>
<dd>Posterior 97.5th quantile chemical stability fraction (upper credible interval bound)</dd><dt><code>Fup.Med</code></dt>
<dd>Posterior median fraction unbound in plasma</dd><dt><code>Fup.Low</code></dt>
<dd>Posterior 2.5th quantile of fraction unbound in plasma (lower credible interval bound)</dd><dt><code>Fup.High</code></dt>
<dd>Posterior 97.5th quantile of fraction unbound in plasma (upper credible interval bound)</dd><dt><code>Fup.point</code></dt>
<dd>Point estimate of fraction unbound in plasma</dd><dt><code>Unstable</code></dt>
<dd>Qualitative determination of chemical stability. "Y" indicates observed chemical stability.</dd><dt><code>Uncertain</code></dt>
<dd>Qualitative determination of uncertainty about chemical stability. "Y" indicates uncertainty in observed chemical stability.</dd><dt><code>CV</code></dt>
<dd>Coefficient of variance</dd>
</dl>

Format

kreutz2023category;textualinvitroTKdata Ultracentrifugation Level-4 Data Set — kreutz2023.uc.L4

A level-4 data.frame with 52 rows and 13 variables:<dl>
<dt><code>Compound.Name</code></dt>
<dd>Compound name</dd>

<dt><code>DTXSID</code></dt>
<dd>DSSTox Substance Identifier (CompTox Chemicals Dashboard)</dd>

<dt><code>Lab.Compound.Name</code></dt>
<dd>Compound as described in the laboratory</dd>

<dt><code>Fstable.Med</code></dt>
<dd>Posterior median chemical stability fraction</dd>

<dt><code>Fstable.Low</code></dt>
<dd>Posterior 2.5th quantile chemical stability fraction (lower credible interval bound)</dd>

<dt><code>Fstable.High</code></dt>
<dd>Posterior 97.5th quantile chemical stability fraction (upper credible interval bound)</dd>

<dt><code>Fup.Med</code></dt>
<dd>Posterior median fraction unbound in plasma</dd>

<dt><code>Fup.Low</code></dt>
<dd>Posterior 2.5th quantile of fraction unbound in plasma (lower credible interval bound)</dd>

<dt><code>Fup.High</code></dt>
<dd>Posterior 97.5th quantile of fraction unbound in plasma (upper credible interval bound)</dd>

<dt><code>Fup.point</code></dt>
<dd>Point estimate of fraction unbound in plasma</dd>

<dt><code>Unstable</code></dt>
<dd>Qualitative determination of chemical stability. "Y" indicates observed chemical stability.</dd>

<dt><code>Uncertain</code></dt>
<dd>Qualitative determination of uncertainty about chemical stability. "Y" indicates uncertainty in observed chemical stability.</dd>

<dt><code>CV</code></dt>
<dd>Coefficient of variance</dd>


</dl>

kreutz2023category;textualinvitroTKdata Ultracentrifugation Level-4 Data Set

kreutz2023.uc.L4: kreutz2023category;textualinvitroTKdata Ultracentrifugation Level-4 Data Set

Description

Usage

Arguments

Format

References