calc_mc_css {httkgui}R Documentation

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 for a parameter in "parameters" and contains two elements: "CV" (coefficient of variation) and "LOD" (limit of detection, below which parameter values are censored. New values are sampled with mean equal to the value in "parameters" and standard deviation equal to the mean times the CV. Censored values are sampled on a uniform distribution between 0 and the limit of detection.

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 "parameters". New values are sampled with mean equal to the value in "parameters" and standard deviation equal to the mean times the CV.

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.

Author(s)

John Wambaugh

Examples

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



[Package httkgui version 1.0 Index]