fup_red_cheminfo: Fup RED Chemical Information Example Data set

fup_red_cheminfoR Documentation

Fup RED Chemical Information Example Data set

Description

The chemical ID mapping information from 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 contains 26 unique compounds/chemicals.

Usage

fup_red_cheminfo

Format

A chemical info data.frame with 26 rows and 4 variables:

DTXSID

DSSTox Substance Identifier (CompTox Chemicals Dashboard - CCD)

NAME (Abbreviation)

Name of the test analyte/compound and abbreviation used by the lab as the compound ID

Compound

Name of the test analyte/compound

Chem.Lab.ID

Abbreviation of the test analyte/compound as described in the laboratory

References

\insertRef

waters2008validationinvitroTKstats

\insertRef

smeltz2023plasmainvitroTKstats


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