fup_uc_L4: Fup UC Level-4 Example Data set

In invitroTKstats: In Vitro Toxicokinetic Data Processing and Analysis Pipeline

Fup UC Level-4 Example Data set

Description

Mass Spectrometry measurements of plasma protein binding (PPB) via ultracentrifugation (UC) 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_uc_L4

Format

A level-4 data.frame with 3 rows and 10 variables:

Compound

Name of the test analyte/compound

DTXSID

DSSTox Substance Identifier (CompTox Chemicals Dashboard - CCD)

Lab.Compound.Name

Compound as described in the laboratory

Fstable.Med

Median stability fraction

Fstable.Low

2.5th quantile of stability fraction

Fstable.High

97.5th quantile of stability fraction

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

Fup.point

Point estimate of fraction unbound in plasma

References

\insertRef

howard2010plasmainvitroTKstats

\insertRef

smeltz2023plasmainvitroTKstats

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