get_clint: Retrieve and parse intrinsic hepatic clearance

In httk: High-Throughput Toxicokinetics

Retrieve and parse intrinsic hepatic clearance

Description

This function retrieves the chemical- and species-specific intinsic hepatic clearance (Cl_int, inits of uL/min/million hepatocytes) from chem.physical_and_invitro.data. If that parameter is described by a distribution (that is, a median, lower-, upper-95th percentile and p-value separated by commas) this function splits those quantiles into separate values. Most Cl_int values have an accompanying p-value indicating the probability that no decrease was observed. If the p-values exceeds a threhsold (default 0.05) the clearance is set to zero (no clearance). Some values extracted from the literature do not have a p-value.

Usage

get_clint(
  chem.cas = NULL,
  chem.name = NULL,
  dtxsid = NULL,
  species = "Human",
  default.to.human = FALSE,
  force.human.clint = FALSE,
  suppress.messages = FALSE,
  clint.pvalue.threshold = 0.05
)

Arguments

chem.cas	Chemical Abstract Services Registry Number (CAS-RN) – if parameters is not specified then the chemical must be identified by either CAS, name, or DTXISD
chem.name	Chemical name (spaces and capitalization ignored) – if parameters is not specified then the chemical must be identified by either CAS, name, or DTXISD
dtxsid	EPA's DSSTox Structure ID (https://comptox.epa.gov/dashboard) – if parameters is not specified then the chemical must be identified by either CAS, name, or DTXSIDs
species	Species desired (either "Rat", "Rabbit", "Dog", "Mouse", or default "Human").
default.to.human	Substitutes missing hepatic clearance with human values if true.
force.human.clint	If a non-human species value (matching argument species) is available, it is ignored and the human intrinsic clearance is used
suppress.messages	Whether or not the output message is suppressed.
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

list containing:

CLint.point	Point estimate (central tendency) of the intrinsic hepatic clearance
Clint.dist	Quantiles of a distribution (median, lower, upper 95th percentiles) and pvalue
Clint.pvalue	pvalue for whether disapperance of parent compound was observed

Author(s)

John Wambaugh

See Also

chem.physical_and_invitro.data

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