get_fup: Retrieve and parse fraction unbound in plasma

In httk: High-Throughput Toxicokinetics

Retrieve and parse fraction unbound in plasma

Description

This function retrieves the chemical- and species-specific fraction unbound in plasma (f_up) from chem.physical_and_invitro.data. If that parameter is described by a distribution (that is, a median, lower-, and upper-95th percentile separated by commas) this function splits those quantiles into separate values.

Usage

get_fup(
  chem.cas = NULL,
  chem.name = NULL,
  dtxsid = NULL,
  species = "Human",
  default.to.human = FALSE,
  force.human.fup = FALSE,
  suppress.messages = FALSE,
  minimum.Funbound.plasma = 1e-04
)

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 fraction of unbound plasma with human values if true.
force.human.fup	If a non-human species value (matching argument species) is available, it is ignored and the human fraction unbound is returned
suppress.messages	Whether or not the output message is suppressed.
minimum.Funbound.plasma	fup is not allowed to drop below this value (default is 0.0001).

Value

list containing:

Funbound.plasma.point	Point estimate (central tendency) of the Unbound fraction in plasma
Funbound.plasma.dist	Quantiles of a distribution (median, lower and upper 95th percentiles) for the unbound fraction

Author(s)

John Wambaugh

See Also

chem.physical_and_invitro.data

httk documentation built on March 7, 2023, 7:26 p.m.