get_chem_id {httk}

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