parameterize_steadystate: Parameterize_SteadyState

Description

This function initializes the parameters needed in the functions calc_mc_css, calc_mc_oral_equiv, and calc_analytic_css for the three compartment steady state model ('3compartmentss').

Usage

parameterize_steadystate(chem.cas=NULL,chem.name=NULL,species="Human",
                          clint.pvalue.threshold=0.05,default.to.human=F,
                          human.clint.fub=F)

Arguments

chem.name

Either the chemical name or the CAS number must be specified.

chem.cas

Either the chemical name or the CAS number must be specified.

species

Species desired (either "Rat", "Rabbit", "Dog", "Mouse", or default "Human").

clint.pvalue.threshold

Hepatic clearances with clearance assays having p-values greater than the threshold are set to zero.

default.to.human

Substitutes missing rat values with human values if true.

human.clint.fub

Uses human hepatic intrinsic clearance and fraction of unbound plasma in calculation of partition coefficients for rats if true.

Value

ClintHepatic Intrinsic Clearance, uL/min/10^6 cells.
FgutabsFraction of the oral dose absorbed, i.e. the fraction of the dose that enters the gutlumen.
Funbound.plasmaFraction of plasma that is not bound.
Qtotal.livercFlow rate of blood exiting the liver, L/h/kg BW^3/4.
QgfrcGromerular Filtration Rate, L/h/kg BW^3/4, volume of fluid filtered from kidney and excreted.
BWBody Weight, kg
MWMolecular Weight, g/mol
million.cells.per.gliverMillions cells per gram of liver tissue.
VlivercVolume of the liver per kg body weight, L/kg BW.
liver.densityLiver tissue density, kg/L.
Fhep.assay.correctionThe fraction of chemical unbound in hepatocyte assay using the method of Kilford et al. (2008)

Details

When species is specified as rabbit, dog, or mouse, the function uses the appropriate physiological data(volumes and flows) but substitues human fraction unbound, partition coefficients, and intrinsic hepatic clearance.

Examples

Run this code

parameters <- parameterize_steadystate(chem.name='Bisphenol-A',species='Rat')
 parameters <- parameterize_steadystate(chem.cas='80-05-7')

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