clint_cheminfo: Clint Chemical Information Example Data set

clint_cheminfoR Documentation

Clint Chemical Information Example Data set

Description

The chemical ID mapping information from mass spectrometry measurements of intrinsic hepatic clearance (Clint) for cryopreserved pooled human hepatocytes. Chemicals were per- and poly-fluorinated alkyl substance (PFAS) samples. The experiments were led by Dr.s Marci Smeltz and Barbara Wetmore \insertCitesmeltz2023plasmainvitroTKstats. This data set contains 7 unique compounds/chemicals.

Usage

clint_cheminfo

Format

A chemical info data.frame with 7 rows and 6 variables:

DTXSID

DSSTox Substance Identifier (CompTox Chemicals Dashboard - CCD)

Analyte Name

Name of the test analyte/compound and the name used by the laboratory

Internal Standard

Name of the internal standard (ISTD)

Mix

Mix used for the sample

Compound

Name of the test analyte/compound

Chem.Lab.ID

Compound as described in the chemistry laboratory

References

\insertRef

shibata2002predictioninvitroTKstats

\insertRef

smeltz2023plasmainvitroTKstats


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