fup_uc_cheminfo: Fup UC Chemical Information Example Data set

fup_uc_cheminfoR Documentation

Fup UC Chemical Information Example Data set

Description

The chemical ID mapping information from 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 contains 75 unique compounds/chemicals.

Usage

fup_uc_cheminfo

Format

A chemical info data.frame with 75 rows and 4 variables:

DTXSID

DSSTox Substance Identifier (CompTox Chemicals Dashboard - CCD)

Chemical Name (Common 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

Common abbreviation of the test analyte/compound as described in the laboratory

References

\insertRef

howard2010plasmainvitroTKstats

\insertRef

smeltz2023plasmainvitroTKstats


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