get_caco2: Retrieve in vitro measured Caco-2 membrane permeabilit

In httk: High-Throughput Toxicokinetics

Retrieve in vitro measured Caco-2 membrane permeabilit

Description

This function checks for chemical-specific in vitro measurements of the Caco-2 membrane permeability in the chem.physical_and_invitro.data table. If no value is available argument Caco2.Pab.default is returned. Anywhere that the values is reported by three numbers separated by a comma (this also happens for plasma protein binding) the three values are: median, lower 95 percent confidence intervals, upper 95 percent confidence interval. Unless you are doing monte carlo work it makes sense to ignore the second and third values.

Usage

get_caco2(
  chem.cas = NULL,
  chem.name = NULL,
  dtxsid = NULL,
  Caco2.Pab.default = 1.6,
  suppress.messages = FALSE
)

Arguments

chem.cas	Chemical Abstract Services Registry Number (CAS-RN) – the chemical must be identified by either CAS, name, or DTXISD
chem.name	Chemical name (spaces and capitalization ignored) – the chemical must be identified by either CAS, name, or DTXISD
dtxsid	EPA's DSSTox Structure ID (https://comptox.epa.gov/dashboard) – the chemical must be identified by either CAS, name, or DTXSIDs
Caco2.Pab.default	sets the default value for Caco2.Pab if Caco2.Pab is unavailable.
suppress.messages	Whether or not the output message is suppressed.

Author(s)

John Wambaugh

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