calc_elimination_rate: Calculate the elimination rate for a one compartment model

In httk: High-Throughput Toxicokinetics

Calculate the elimination rate for a one compartment model

Description

This function calculates an elimination rate from the three compartment steady state model where elimination is entirely due to metablism by the liver and glomerular filtration in the kidneys.

Usage

calc_elimination_rate(
  chem.cas = NULL,
  chem.name = NULL,
  dtxsid = NULL,
  parameters = NULL,
  species = "Human",
  model = "3compartmentss",
  suppress.messages = TRUE,
  ...
)

Arguments

chem.cas	Either the cas number or the chemical name must be specified.
chem.name	Either the chemical name or the cas number must be specified.
dtxsid	EPA's 'DSSTox Structure ID (https://comptox.epa.gov/dashboard) the chemical must be identified by either CAS, name, or DTXSIDs
parameters	Chemical parameters from parameterize_steadystate or 1compartment function, overrides chem.name and chem.cas.
species	Species desired (either "Rat", "Rabbit", "Dog", "Mouse", or default "Human").
model	The model used to calculate total clearance (defaults to "3compartmentss")
suppress.messages	Whether or not the output message is suppressed.
...	Additional parameters passed to parameterize function if parameters is NULL.

Details

Elimination rate calculated by dividing the total clearance (using the default -stirred hepatic model) by the volume of distribution. 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

Elimination rate

Units of 1/h.

Author(s)

John Wambaugh

References

\insertRef

schmitt2008generalhttk

\insertRef

dawson2021qsarhttk

\insertRef

kilford2008hepatocellularhttk

See Also

calc_total_clearance for calculation of total clearance

calc_vdist for calculation of volume of distribution

Examples

calc_elimination_rate(chem.name="Bisphenol A")

## Not run: 

calc_elimination_rate(chem.name="Bisphenol A",species="Rat")

# non-restrictive clearance should be faster:
kelim1 <- calc_elimination_rate(chem.cas="80-05-7")
kelim2 <- calc_elimination_rate(chem.cas="80-05-7", 
                                restrictive.clearance=FALSE)
if (!(kelim2 > kelim1)) stop("kelim2 is not faster than kelim1")

## End(Not run)

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