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httk (version 1.3)

calc_stats: Calculate the statistics.

Description

This function calculates the area under the curve, the mean, and the peak values for the venous blood or plasma concentration of a specified chemical or all chemicals if none is specified for the multiple compartment model with a given number of days, dose, and number of doses per day.

Usage

calc_stats(days,chem.name=NULL,chem.cas=NULL,parameters=NULL,stats=c("AUC","peak","mean"),
           species='Human',exclude.fub.zero=F,daily.dose=1,dose=NULL,doses.per.day=NULL,
           output.units='uM',concentration='plasma',model='pbtk',suppress.messages=F,...)

Arguments

days
Length of the simulation.
chem.name
Name of desired chemical.
chem.cas
CAS number of desired chemical.
parameters
Chemical parameters from parameterize_pbtk function, overrides chem.name and chem.cas.
stats
Desired values (either 'AUC', 'mean', 'peak', or a vector containing any combination).
daily.dose
Total daily dose, mg/kg BW.
dose
Amount of a single dose, mg/kg BW. Overwrites daily.dose.
species
Species desired (either "Rat", "Rabbit", "Dog", "Mouse", or default "Human").
exclude.fub.zero
Whether or not to exclude chemicals with a fraction of unbound plasma equal to zero or include them with a value of 0.005, only used when chem.name, chem.cas, and parameters are not specified.
doses.per.day
Number of doses per day.
output.units
Desired units (either "mg/L", "mg", "umol", or default "uM").
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.
concentration
Desired concentration type, 'blood' or default 'plasma'.
suppress.messages
Whether to suppress output message.
...
Arguments passed to solve function.

Value

  • AUCArea under the plasma concentration curve.
  • meanThe area under the curve divided by the number of days.
  • peakThe highest concentration.

Details

Default value of 0 for doses.per.day solves for a single dose. 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_stats(chem.name='Bisphenol-A',days=100,stats='mean')
calc_stats(chem.name='Bisphenol-A',days=100,stats=c('peak','mean'),species='Rat')

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