calc_tkstats: Calculate toxicokinetic summary statistics.

In httk: High-Throughput Toxicokinetics

Calculate toxicokinetic summary statistics.

Description

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.

Usage

calc_tkstats(
  chem.name = NULL,
  chem.cas = NULL,
  dtxsid = NULL,
  parameters = NULL,
  route = "oral",
  stats = c("AUC", "peak", "mean"),
  species = "Human",
  days = 28,
  daily.dose = 1,
  dose = NULL,
  forcings = NULL,
  doses.per.day = 1,
  output.units = "uM",
  concentration = "plasma",
  tissue = "plasma",
  model = "pbtk",
  default.to.human = FALSE,
  adjusted.Funbound.plasma = TRUE,
  regression = TRUE,
  restrictive.clearance = TRUE,
  suppress.messages = FALSE,
  ...
)

Arguments

chem.name	Name of desired chemical.
chem.cas	CAS number of desired chemical.
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_pbtk function, overrides chem.name and chem.cas.
route	String specification of route of exposure for simulation: "oral", "iv", "inhalation", ...
stats	Desired values (either 'AUC', 'mean', 'peak', or a vector containing any combination).
species	Species desired (either "Rat", "Rabbit", "Dog", "Mouse", or default "Human").
days	Length of the simulation.
daily.dose	Total daily dose, mg/kg BW.
dose	Amount of a single dose at time zero, mg/kg BW.
forcings	Manual input of 'forcings' data series argument for ode integrator, defaults is NULL. Then other input parameters (see exp.start.time, exp.conc, exp.duration, and period) provide the necessary information to assemble a forcings data series.
doses.per.day	Number of doses per day.
output.units	Desired units (either "mg/L", "mg", "umol", or default "uM").
concentration	Desired concentration type, 'blood' or default 'plasma'.
tissue	Desired steady state tissue conentration.
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.
default.to.human	Substitutes missing animal values with human values if true (hepatic intrinsic clearance or fraction of unbound plasma).
adjusted.Funbound.plasma	Uses adjusted Funbound.plasma when set to TRUE along with partition coefficients calculated with this value.
regression	Whether or not to use the regressions in calculating partition coefficients.
restrictive.clearance	Protein binding not taken into account (set to 1) in liver clearance if FALSE.
suppress.messages	Whether to suppress output message.
...	Arguments passed to solve function.

Details

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.

Value

AUC	Area under the plasma concentration curve.
mean.conc	The area under the curve divided by the number of days.
peak.conc	The highest concentration.

Author(s)

Robert Pearce and John Wambaugh

Examples

calc_tkstats(chem.name='Bisphenol-A',days=100,stats='mean',model='3compartment')


calc_tkstats(chem.name='Bisphenol-A',days=100,stats=c('peak','mean'),species='Rat')

triclosan.stats <- calc_tkstats(days=10, chem.name = "triclosan")

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