httk (version 2.7.0)

calc_tkstats: 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",
  suppress.messages = FALSE,
  ...
)

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.

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.

suppress.messages

Whether to suppress output message.

...

Additional arguments passed to the solve_model

Author

Robert Pearce and John Wambaugh

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.

Examples

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

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

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

calc_tkstats(dtxsid="DTXSID0020442",days=1)

calc_tkstats(dtxsid="DTXSID0020442",days=10)

calc_tkstats(dtxsid="DTXSID0020442",days=100)

# }