httk (version 1.4)

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

AUC

Area under the plasma concentration curve.

mean

The area under the curve divided by the number of days.

peak

The 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

calc_stats(chem.name='Bisphenol-A',days=100,stats='mean')
calc_stats(chem.name='Bisphenol-A',days=100,stats=c('peak','mean'),species='Rat')