convert_httk: Converts HTTK-Pop virtual population into parameters relevant to an HTTK model.

Description

Converts HTTK-Pop virtual population into parameters relevant to an HTTK model.

Usage

convert_httk(indiv.model.bio, model, this.chem = NULL,
  parameters = NULL, adjusted.Funbound.plasma = T, regression = T,
  well.stirred.correction = T, restrictive.clearance = T,
  clint.pvalue.threshold = 0.05)

Arguments

indiv.model.bio

A data.table containing the physiological parameters as expected by HTTK (from httkpop_bio) and Funbound.plasma and Clint values (from draw_fup_clint).

model

Which HTTK model to use. One of '1compartment', '3compartmentss', '3compartment', or 'pbtk'.

this.chem

CAS number for the chemical in the HTTK data set (see get_cheminfo) for which parameters are to be generated.

parameters

A list of chemical-specific model parameters containing at least Funbound.plasma, Clint, and Fhep.assay.correction.

adjusted.Funbound.plasma

Uses adjusted Funbound.plasma when set to TRUE.

regression

Whether or not to use the regressions in calculating partition coefficients.

well.stirred.correction

Uses correction in calculation of hepatic clearance for well-stirred model if TRUE for hepatic.model well-stirred. This assumes clearance relative to amount unbound in whole blood instead of plasma, but converted to use with plasma concentration.

restrictive.clearance

Protein binding not taken into account (set to 1) in liver clearance if FALSE.

clint.pvalue.threshold

Hepatic clearance for chemicals where the in vitro clearance assay result has a p-values greater than the threshold are set to zero.

Value

A data.table whose columns are the parameters of the HTTK model specified in model.