export_pbtk_sbml: Export model to sbml.

In httk: High-Throughput Toxicokinetics

Export model to sbml.

Description

This function exports the multiple compartment PBTK model to an sbml file.

Usage

export_pbtk_sbml(
  chem.cas = NULL,
  chem.name = NULL,
  species = "Human",
  initial.amounts = list(Agutlumen = 0),
  filename = "default.xml",
  folder = tempdir(),
  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.
folder	The folder on the file system containing the output file. Defaults to tempdir.
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 describing the PBTK model in SBML.

Author(s)

Robert Pearce

Examples

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

httk documentation built on June 8, 2025, 12:19 p.m.