httk (version 2.6.0)

calc_elimination_rate: 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,
  ...
)

Value

Elimination rate

Units of 1/h.

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.

Author

John Wambaugh

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.

References

schmitt2008generalhttk

dawson2021qsarhttk

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")

if (FALSE) {

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")
}