smeltz2023.clint: \insertCitesmeltz2023plasma;textualinvitroTKdata Intrinsic...

In invitroTKdata: In Vitro Toxicokinetic Data Processed with the 'invitroTKstats' Pipeline

\insertCitesmeltz2023plasma;textualinvitroTKdata Intrinsic Hepatic Clearance Level-2 Data Set

Description

Mass Spectrometry measurements of intrinsic hepatic clearance (Clint) for cryopreserved pooled human hepatocytes. Chemicals were per- and polyfluoroalkyl substance (PFAS) samples. The experiments were led by Dr.s Marci Smeltz and Barbara Wetmore.

Usage

smeltz2023.clint

Format

A level-2 data.frame with 625 rows and 24 variables:

Lab.Sample.Name

Sample description used in the laboratory

Date

Date sample was acquired

Compound.Name

Compound name

DTXSID

DSSTox Substance Identifier (CompTox Chemicals Dashboard)

Lab.Compound.Name

Compound as described in the laboratory

Sample.Type

Type of Clint sample

Dilution.Factor

Number of times the sample was diluted

Calibration

Identifier for mass spectrometry calibration – usually the date

Std.Conc

Concentration of analytic standard (for calibration curve) (uM)

Clint.Assay.Conc

Intended initial concentration of chemical (uM)

Time

Time when sample was measured (h)

ISTD.Name

Name of compound used as internal standard (ISTD)

ISTD.Conc

Concentration of ISTD (uM)

ISTD.Area

Peak area of internal standard (pixels)

Hep.Density

The density (units of millions of hepatocytes per mL) hepatocytes in the in vitro incubation

Area

Peak area of analyte (target compound)

Analysis.Method

General description of chemical analysis method

Analysis.Instrument

Instrument(s) used for chemical analysis

Analysis.Parameters

Parameters for identifying analyte peak (for example, retention time)

Note

Any laboratory notes about sample

Level0.File

Name of data file from laboratory that was used to compile level0 data table)

Level0.Sheet

Name of "sheet" (for Excel workbooks) from which the laboratory data were read

Response

Response factor (calculated from analyte and ISTD peaks)

Verified

If "Y", then sample is included in the analysis. (Any other value causes the data to be ignored.)

References

\insertRef

shibata2002predictioninvitroTKdata

\insertRef

smeltz2023plasmainvitroTKdata

invitroTKdata documentation built on Aug. 21, 2025, 5:56 p.m.