fup_red_L4: Fup RED Level-4 Example Data set

In invitroTKstats: In Vitro Toxicokinetic Data Processing and Analysis Pipeline

Fup RED Level-4 Example Data set

Description

Mass Spectrometry measurements of plasma protein binding (PPB) via rapid equilibrium dialysis (RED) for per- and poly-fluorinated alkyl substance (PFAS) samples. Experiments were led by Dr.s Marci Smeltz and Barbara Wetmore \insertCitesmeltz2023plasmainvitroTKstats. This data set is a subset of experimental data containing samples for 3 test analytes/compounds.

Usage

fup_red_L4

Format

A level-4 data.frame with 3 rows and 7 variables:

Compound.Name

Name of the test analyte/compound

Lab.Compound.Name

Compound as described in the laboratory

DTXSID

DSSTox Substance Identifier (CompTox Chemicals Dashboard - CCD)

Fup.point

Point estimate of fraction unbound in plasma

Fup.Med

Median fraction unbound in plasma

Fup.Low

2.5th quantile of fraction unbound in plasma

Fup.High

97.5th quantile of fraction unbound in plasma

References

\insertRef

waters2008validationinvitroTKstats

\insertRef

smeltz2023plasmainvitroTKstats

invitroTKstats documentation built on Aug. 23, 2025, 9:08 a.m.