draw_fup_clint: Draw Funbound.plasma and Clint from censored or non-censored distributions.

Description

Given a CAS in the HTTK data set, a virtual population from HTTK-Pop, some user specifications on the assumed distributions of Funbound.plasma and Clint, draw "individual" values of Funbound.plasma and Clint from those distributions.

Usage

draw_fup_clint(this.chem = NULL, parameters = NULL, nsamp,
  sigma.factor = 0.3, poormetab, fup.censor, Clint.vary = TRUE,
  lod = 0.01, adjusted.Funbound.plasma = T,
  clint.pvalue.threshold = 0.05)

Arguments

this.chem

The CAS number of one of the HTTK chemicals (see get_cheminfo).

parameters

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

nsamp

The number of samples to draw.

sigma.factor

The coefficient of variance to assume. Default 0.3.

poormetab

Logical. Whether to include poor metabolizers in the Clint distribution or not.

fup.censor

Logical. Whether to draw Funbound.plasma from a censored distribution or not.

Clint.vary

Logical, default TRUE. Whether to treat Clint as fixed at its measured value (FALSE), or as a random variable (TRUE).

lod

The average limit of detection for Funbound.plasma, below which distribution will be censored if fup.censor is TRUE. Default 0.01.

adjusted.Funbound.plasma

Uses adjusted Funbound.plasma when set to TRUE.

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 with three columns: Funbound.plasma and Clint, containing the sampled values, and Fhep.assay.correction, containing the value for fraction unbound in hepatocyte assay.