httk: get_chem_id – R documentation

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get_chem_id

Retrieve chemical identity from HTTK package

Description

Given one of chem.name, chem.cas (Chemical Abstract Service Registry Number), or DTXSID (DSStox Substance Identifier https://comptox.epa.gov/dashboard) this function checks if the chemical is available and, if so, returns all three pieces of information.

Usage

get_chem_id(chem.cas = NULL, chem.name = NULL, dtxsid = NULL)

Arguments

`chem.cas`	CAS regstry number
`chem.name`	Chemical name
`dtxsid`	DSSTox Substance identifier

Value

A list containing the following chemical identifiers:

`chem.cas`	CAS registry number
`chem.name`	Name
`dtxsid`	DTXSID

Author(s)

John Wambaugh and Robert Pearce

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