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httk (version 1.3)

calc_mc_css: Find the monte carlo steady state concentration.

Description

This function finds the analytical steady state plasma concentration(from calc_analytic_css) for the three compartment steady state model (model = '3compartmentss') using a monte carlo simulation (monte_carlo).

Usage

calc_mc_css(chem.cas=NULL,chem.name=NULL,parameters=NULL,daily.dose=1,
            which.quantile=0.95,species="Human",output.units="mg/L",suppress.messages=F,
            censored.params=list(Funbound.plasma=list(cv=0.3,lod=0.01)),
            vary.params=list(BW=0.3,Vliverc=0.3,Qgfrc=0.3,Qtotal.liverc=0.3,
            million.cells.per.gliver=0.3,Clint=0.3),samples=1000,
            return.samples=F)

Arguments

chem.name
Either the chemical parameters, name, or the CAS number must be specified.
chem.cas
Either the CAS number, parameters, or the chemical name must be specified.
parameters
Parameters from parameterize_steadystate.
daily.dose
Total daily dose, mg/kg BW/day.
which.quantile
Which quantile from Monte Carlo simulation is requested. Can be a vector.
species
Species desired (either "Rat", "Rabbit", "Dog", "Mouse", or default "Human").
output.units
Plasma concentration units, either uM or default mg/L.
suppress.messages
Whether or not to suppress output message.
censored.params
The parameters listed in censored.params are sampled from a normal distribution that is censored for values less than the limit of detection (specified separately for each paramter). This argument should be a list of sub-lists. Each sublist is named
vary.params
The parameters listed in vary.params are sampled from a normal distribution that is truncated at zero. This argument should be a list of coefficients of variation (CV) for the normal distribution. Each entry in the list is named for a parameter in "p
samples
Number of samples generated in calculating quantiles.
return.samples
Whether or not to return the vector containing the samples from the simulation instead of the selected quantile.

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
calc_mc_css(chem.name='Bisphenol A',output.units='uM',which.quantile=.9)

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