wambaugh2019.red: \insertCitewambaugh2019assessing;textualinvitroTKdata Rapid...

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

\insertCitewambaugh2019assessing;textualinvitroTKdata Rapid Equilibrium Dialysis Level-2 Data Set

Description

Mass spectrometry measurements of plasma protein binding using the rapid equilibrium dialysis (RED) assay method \insertCitewaters2008validationinvitroTKdata.

Usage

wambaugh2019.red

Format

A data.frame 15990 rows and 26 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 RED sample

Dilution.Factor

Number of times the sample was diluted

Calibration

Identifier for mass spectrometry calibration - usually the date

ISTD.Name

Name of compound used as internal standard (ISTD)

ISTD.Conc

Concentration of ISTD (uM)

ISTD.Area

Peak area internal standard (pixels)

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 level-0 data.frame

Level0.Sheet

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

Time

Time when sample was measured (h)

Test.Compound.Conc

Measured concentration of analytic standard (for calibration curve) (uM)

Test.Nominal.Conc

Expected initial concentration of chemical added to donor side (uM)

Percent.Physiologic.Plasma

Percent of physiology plasma concentration in RED plate (in percent)

Biological.Replicates

Identifier for measurements of multiple samples with the same analyte

Technical.Replicates

Identifier for measurements of one sample of a compound

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.)

Source

Wambaugh et al. (2019)

References

\insertRef

waters2008validationinvitroTKdata

\insertRef

wambaugh2019assessinginvitroTKdata

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