calc_analytic_css {httkgui} | R Documentation |
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.
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)
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. |
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.
Steady state concentration |
Robert Pearce
Schmitt W. "General approach for the calculation of tissue to plasma partition coefficients." Toxicology In Vitro, 22, 457-467 (2008).
calc_analytic_css(chem.name='Bisphenol-A',output.units='mg/L', model='3compartment',concentration='blood')