caco2_L3: Caco-2 Level-3 Example Data set
In invitroTKstats: In Vitro Toxicokinetic Data Processing and Analysis Pipeline

caco2_L3

R Documentation

Caco-2 Level-3 Example Data set

Description

A subset of tandem mass spectrometry (MS/MS) measurements of Caco-2 assay-specific data \insertCitehonda2025impactinvitroTKstats. This subset contains samples for 3 test analytes/compounds.

Usage

caco2_L3

Format

A level-3 data.frame with 3 rows and 20 variables:

Compound.Name: Compound name
DTXSID: DSSTox Substance Identifier (CompTox Chemicals Dashboard)
Time: Time when sample was measured (h)
Membrane.Area: The area of the Caco-2 monolayer
Calibration: Identifier for mass spectrometry calibration – usually the date
C0_A2B: Initial concentration in the apical side
dQdt_A2B: Rate of permeation from the apical to the basolateral side
Papp_A2B: Apparent membrane permeability from the apical to the basolateral side
Frec_A2B.vec: Fraction of the initial compound in the apical side recovered in the basolateral side (collapsed numeric vector, values for replicates separated by a "|")
Frec_A2B.mean: Mean of fraction recovered values in the apical to basolateral direction
Recovery_Class_A2B.vec: Recovery classification of fraction recovered values in the apical to basolateral direction (collapsed character vector, values for replicates separated by a "|")
Recovery_Class_A2B.mean: Recovery classification of mean fraction recovered in the apical to basolateral direction
C0_B2A: Initial concentration in the basolateral side
dQdt_B2A: Rate of permeation from the basolateral to the apical side
Papp_B2A: Apparent membrane permeability from the basolateral to the apical side
Frec_B2A.vec: Fraction of the initial compound in the basolateral side recovered in the apical side (collapsed numeric vector, values for replicates separated by a "|")
Frec_B2A.mean: Mean of fraction recovered values in the basolateral to apical direction
Recovery_Class_B2A.vec: Recovery classification of fraction recovered values in the basolateral to apical direction (collapsed character vector, values for replicates separated by a "|")
Recovery_Class_B2A.mean: Recovery classification of mean fraction recovered in the basolateral to apical direction
Refflux: Efflux ratio