calc_stats {httkgui} | R Documentation |
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.
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,...)
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. |
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.
AUC |
Area under the plasma concentration curve. |
mean |
The area under the curve divided by the number of days. |
peak |
The highest concentration. |
John Wambaugh and Robert Pearce
calc_stats(chem.name='Bisphenol-A',days=100,stats='mean') calc_stats(chem.name='Bisphenol-A',days=100,stats=c('peak','mean'),species='Rat')