clint_L3

Mass Spectrometry measurements of intrinsic hepatic clearance (Clint) for cryopreserved 
pooled human hepatocytes. Chemicals were per- and poly-fluorinated alkyl substance
(PFAS) samples. The experiments were led by Dr.s Marci Smeltz and Barbara Wetmore 
smeltz2023plasmainvitroTKstats. This data set is a subset of 
experimental data containing samples for 3 test analytes/compounds.

datasets

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 

clint_L3 function

A level-3 data.frame with 3 rows and 13 variables:<dl>
<dt><code>Compound.Name</code></dt>
<dd>Name of the test analyte/compound</dd><dt><code>DTXSID</code></dt>
<dd>DSSTox Substance Identifier (CompTox Chemicals Dashboard - CCD)</dd><dt><code>Lab.Compound.Name</code></dt>
<dd>Compound as described in the laboratory</dd><dt><code>Calibration</code></dt>
<dd>Identifier for mass spectrometry calibration -- usually the date</dd><dt><code>Clint</code></dt>
<dd>Intrinsic hepatic clearance</dd><dt><code>Clint.pValue</code></dt>
<dd>p-value of estimated <code>Clint</code> value</dd><dt><code>Fit</code></dt>
<dd>Test nominal concentrations</dd><dt><code>AIC</code></dt>
<dd>Akaike Information Criterion of the linear regression fit</dd><dt><code>AIC.Null</code></dt>
<dd>Akaike Information Criterion of the exponential decay assuming a constant rate of decay</dd><dt><code>Clint.1</code></dt>
<dd>Intrinsic hepatic clearance at 1 uM</dd><dt><code>Clint.10</code></dt>
<dd>Intrinsinc hepatic clearance at 10 uM</dd><dt><code>AIC.Sat</code></dt>
<dd>Akaike Information Criterion of the exponential decay with a saturation probability</dd><dt><code>Sat.pValue</code></dt>
<dd>p-value of exponential decay with a saturation probability</dd>
</dl>

Format

Clint Level-3 Example Data set — clint_L3

A level-3 data.frame with 3 rows and 13 variables:<dl>
<dt><code>Compound.Name</code></dt>
<dd>Name of the test analyte/compound</dd>

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

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

<dt><code>Calibration</code></dt>
<dd>Identifier for mass spectrometry calibration -- usually the date</dd>

<dt><code>Clint</code></dt>
<dd>Intrinsic hepatic clearance</dd>

<dt><code>Clint.pValue</code></dt>
<dd>p-value of estimated <code>Clint</code> value</dd>

<dt><code>Fit</code></dt>
<dd>Test nominal concentrations</dd>

<dt><code>AIC</code></dt>
<dd>Akaike Information Criterion of the linear regression fit</dd>

<dt><code>AIC.Null</code></dt>
<dd>Akaike Information Criterion of the exponential decay assuming a constant rate of decay</dd>

<dt><code>Clint.1</code></dt>
<dd>Intrinsic hepatic clearance at 1 uM</dd>

<dt><code>Clint.10</code></dt>
<dd>Intrinsinc hepatic clearance at 10 uM</dd>

<dt><code>AIC.Sat</code></dt>
<dd>Akaike Information Criterion of the exponential decay with a saturation probability</dd>

<dt><code>Sat.pValue</code></dt>
<dd>p-value of exponential decay with a saturation probability</dd>


</dl>

Clint Level-3 Example Data set

clint_L3: Clint Level-3 Example Data set

Description

Usage

Arguments

Format

References