httk: get_physchem_param – R documentation

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get_physchem_param

Get physico-chemical parameters from chem.physical_and_invitro.data

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

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

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

High-Throughput Toxicokinetics

v2.0.4

GPL-3

Authors

John Wambaugh [aut, cre] (<https://orcid.org/0000-0002-4024-534X>), Robert Pearce [aut] (<https://orcid.org/0000-0003-3168-4049>), Caroline Ring [aut] (<https://orcid.org/0000-0002-0463-1251>), Greg Honda [aut] (<https://orcid.org/0000-0001-7713-9850>), Mark Sfeir [aut], Matt Linakis [aut] (<https://orcid.org/0000-0003-0526-2395>), Sarah Davidson [aut] (<https://orcid.org/0000-0002-2891-9380>), Miyuki Breen [ctb] (<https://orcid.org/0000-0001-8511-4653>), Shannon Bell [ctb], Xiaoqing Chang [ctb] (<https://orcid.org/0000-0003-0752-1848>), Jimena Davis [ctb], James Sluka [ctb] (<https://orcid.org/0000-0002-5901-1404>), Nisha Sipes [ctb] (<https://orcid.org/0000-0003-4203-6426>), Barbara Wetmore [ctb] (<https://orcid.org/0000-0002-6878-5348>), Woodrow Setzer [ctb] (<https://orcid.org/0000-0002-6709-9186>)

Initial release

2021-05-07