parameterize_steadystate {httkgui}R Documentation

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.

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.

Value

Clint

Hepatic Intrinsic Clearance, uL/min/10^6 cells.

Fgutabs

Fraction of the oral dose absorbed, i.e. the fraction of the dose that enters the gutlumen.

Funbound.plasma

Fraction of plasma that is not bound.

Qtotal.liverc

Flow rate of blood exiting the liver, L/h/kg BW^3/4.

Qgfrc

Gromerular Filtration Rate, L/h/kg BW^3/4, volume of fluid filtered from kidney and excreted.

BW

Body Weight, kg

MW

Molecular Weight, g/mol

million.cells.per.gliver

Millions cells per gram of liver tissue.

Vliverc

Volume of the liver per kg body weight, L/kg BW.

liver.density

Liver tissue density, kg/L.

Fhep.assay.correction

The fraction of chemical unbound in hepatocyte assay using the method of Kilford et al. (2008)

Author(s)

John Wambaugh

Examples

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

[Package httkgui version 1.0 Index]