export_pbtk_jarnac: Export model to jarnac.

In httk: High-Throughput Toxicokinetics

Export model to jarnac.

Description

This function exports the multiple compartment PBTK model to a jarnac file.

Usage

export_pbtk_jarnac(
  chem.cas = NULL,
  chem.name = NULL,
  species = "Human",
  initial.amounts = list(Agutlumen = 0),
  filename = "default.jan",
  digits = 4
)

Arguments

chem.cas	Either the chemical name or CAS number must be specified.
chem.name	Either the chemical name or CAS number must be specified.
species	Species desired (either "Rat", "Rabbit", "Dog", or default "Human").
initial.amounts	Must specify initial amounts in units of choice.
filename	The name of the jarnac file containing the model.
digits	Desired number of decimal places to round the parameters.

Details

Compartments to enter into the initial.amounts list includes Agutlumen, Aart, Aven, Alung, Agut, Aliver, Akidney, and Arest.

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.

Value

Text containing a Jarnac language version of the PBTK model.

Author(s)

Robert Pearce

Examples

export_pbtk_jarnac(chem.name='Nicotine',initial.amounts=list(Agutlumen=1),filename='PBTKmodel.jan')

httk documentation built on Sept. 11, 2024, 9:32 p.m.