get_physchem_param: Get physico-chemical parameters from...

In httk: High-Throughput Toxicokinetics

Get physico-chemical parameters from chem.physical_and_invitro.data table

Description

This function retrieves physico-chemical properties ("param") for the chemical specified by chem.name or chem.cas from the vLiver tables.

Usage

get_physchem_param(param, chem.name = NULL, chem.cas = NULL, dtxsid = NULL)

Arguments

param	The desired parameters, a vector or single value.
chem.name	The chemical names that you want parameters for, a vector or single value
chem.cas	The chemical CAS numbers that you want parameters for, a vector or single value
dtxsid	EPA's 'DSSTox Structure ID (https://comptox.epa.gov/dashboard) the chemical must be identified by either CAS, name, or DTXSIDs

Details

Note that this function works with a local version of the get.physical_and_invitro.data table to allow users to add/modify chemical data (for example, via add_chemtable or load_sipes2017).

Value

The parameters, either a single value, a named list for a single chemical, or a list of lists

Author(s)

John Wambaugh and Robert Pearce

See Also

get_invitroPK_param

Examples

get_physchem_param(param = 'logP', chem.cas = '80-05-7')
get_physchem_param(param = c('logP','MW'), chem.cas = c('80-05-7','81-81-2'))

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