httk (version 1.3)

calc_analytic_css: Calculate the analytic steady state concentration.

Description

This function calculates the analytic steady state plasma or venous blood concentrations as a result of infusion dosing for the three compartment and multiple compartment PBTK models.

Usage

calc_analytic_css(chem.name=NULL,chem.cas = NULL,parameters=NULL,daily.dose=1,
                  output.units='uM',model = 'pbtk',species='Human',
                  concentration='plasma',suppress.messages=F,
                  recalc.blood2plasma=F,default.to.human=F)

Arguments

chem.name

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

chem.cas

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

parameters

Chemical parameters from parameterize_pbtk (for model = 'pbtk'), parameterize_3comp (for model = '3compartment), parmeterize_1comp(for model = '3compartmentss') or parameterize_steadystate (for model = '1compartment'), overrides chem.name and chem.cas.

daily.dose

Total daily dose, mg/kg BW.

output.units

Units for returned concentrations, defaults to uM (specify units = "uM") but can also be mg/L.

model

Model used in calculation, 'pbtk' for the multiple compartment model,'3compartment' for the three compartment model, '3compartmentss' for the three compartment steady state model, and '1compartment' for one compartment model.

species

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

suppress.messages

Whether or not the output message is suppressed.

concentration

Desired concentration type, 'blood' or default 'plasma'.

recalc.blood2plasma

Recalculates the ratio of the amount of chemical in the blood to plasma using the input parameters, calculated with hematocrit, Funbound.plasma, and Krbc2pu.

default.to.human

Substitutes missing rat values with human values if true.

Value

• Steady state concentration

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.

References

Schmitt W. "General approach for the calculation of tissue to plasma partition coefficients." Toxicology In Vitro, 22, 457-467 (2008).

Examples

calc_analytic_css(chem.name='Bisphenol-A',output.units='mg/L',
                  model='3compartment',concentration='blood')