wambaugh2019.red: wambaugh2019assessing;textualinvitroTKdata Rapid Equilibrium Dialysis Level-2 Data Set

Description

Mass spectrometry measurements of plasma protein binding using the rapid equilibrium dialysis (RED) assay method waters2008validationinvitroTKdata.

Usage

wambaugh2019.red

Arguments

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.)

References

waters2008validationinvitroTKdata

wambaugh2019assessinginvitroTKdata