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').
parameterize_steadystate(chem.cas=NULL,chem.name=NULL,species="Human",
clint.pvalue.threshold=0.05,default.to.human=F,
human.clint.fub=F,adjusted.Funbound.plasma=T,
restrictive.clearance=T)Either the chemical name or the CAS number must be specified.
Either the chemical name or the CAS number must be specified.
Species desired (either "Rat", "Rabbit", "Dog", "Mouse", or default "Human").
Hepatic clearances with clearance assays having p-values greater than the threshold are set to zero.
Substitutes missing rat values with human values if true.
Uses human hepatic intrinsic clearance and fraction of unbound plasma in calculation of partition coefficients for rats if true.
Returns adjusted Funbound.plasma when set to TRUE.
In calculating hepatic.bioavailability, protein binding is not taken into account (set to 1) in liver clearance if FALSE.
Hepatic Intrinsic Clearance, uL/min/10^6 cells.
Fraction of the oral dose absorbed, i.e. the fraction of the dose that enters the gutlumen.
Fraction of plasma that is not bound.
Flow rate of blood exiting the liver, L/h/kg BW^3/4.
Glomerular Filtration Rate, L/h/kg BW^3/4, volume of fluid filtered from kidney and excreted.
Body Weight, kg
Molecular Weight, g/mol
Millions cells per gram of liver tissue.
Volume of the liver per kg body weight, L/kg BW.
Liver tissue density, kg/L.
The fraction of chemical unbound in hepatocyte assay using the method of Kilford et al. (2008)
Fraction of dose remaining after first pass clearance, calculated from the corrected well-stirred model.
# NOT RUN {
parameters <- parameterize_steadystate(chem.name='Bisphenol-A',species='Rat')
parameters <- parameterize_steadystate(chem.cas='80-05-7')
# }
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