A subset of tandem mass spectrometry (MS/MS) measurements of Caco-2 assay-specific data honda2025impactinvitroTKstats. This subset contains samples for 3 test analytes/compounds.
caco2_L3A level-3 data.frame with 3 rows and 20 variables:
Compound.NameCompound name
DTXSIDDSSTox Substance Identifier (CompTox Chemicals Dashboard)
TimeTime when sample was measured (h)
Membrane.AreaThe area of the Caco-2 monolayer
CalibrationIdentifier for mass spectrometry calibration -- usually the date
C0_A2BInitial concentration in the apical side
dQdt_A2BRate of permeation from the apical to the basolateral side
Papp_A2BApparent membrane permeability from the apical to the basolateral side
Frec_A2B.vecFraction of the initial compound in the apical side recovered in the basolateral side (collapsed numeric vector, values for replicates separated by a "|")
Frec_A2B.meanMean of fraction recovered values in the apical to basolateral direction
Recovery_Class_A2B.vecRecovery classification of fraction recovered values in the apical to basolateral direction (collapsed character vector, values for replicates separated by a "|")
Recovery_Class_A2B.meanRecovery classification of mean fraction recovered in the apical to basolateral direction
C0_B2AInitial concentration in the basolateral side
dQdt_B2ARate of permeation from the basolateral to the apical side
Papp_B2AApparent membrane permeability from the basolateral to the apical side
Frec_B2A.vecFraction of the initial compound in the basolateral side recovered in the apical side (collapsed numeric vector, values for replicates separated by a "|")
Frec_B2A.meanMean of fraction recovered values in the basolateral to apical direction
Recovery_Class_B2A.vecRecovery classification of fraction recovered values in the basolateral to apical direction (collapsed character vector, values for replicates separated by a "|")
Recovery_Class_B2A.meanRecovery classification of mean fraction recovered in the basolateral to apical direction
ReffluxEfflux ratio
honda2025impactinvitroTKstats