| chem_wiki {chem.databases} | R Documentation |
CompTox Chemicals Dashboard From Wikipedia
Description
A table containing chemical data from the CompTox Chemicals Dashboard which is derived from various Wikipedia pages.
Usage
chem_wiki
Format
A data.table data frame with 19,239 rows and 9 variables:
itemCASChemical Abstracts Service (CAS) Registry Number itemSubstance NamePreferred Chemical Substance Name itemIUPAC NameIUPAC Chemical Name itemMolecular FormulaChemical Molecular Formula itemSMILESSimplified Molecular-Input Line-Entry System (SMILES) Chemical Structural Notation itemInChIInternational Chemical Identifier (InChI) Chemical Structural Notation itemInChIKeyHashed Version of the InChI itemAverage MassAverage Chemical Molecular Mass itemMonoisotopic MassSingle Chemical Isotope Mass
Source
United States Environmental Protection Agency (US EPA) / Wikimedia Foundation, Inc. "CompTox Chemicals Dashboard v2.2.1", https://comptox.epa.gov/dashboard/chemical-lists/WIKIPEDIA.