chem_wiki: CompTox Chemicals Dashboard From Wikipedia
In chem.databases: Collection of 3 Chemical Databases from Public Sources
chem_wiki 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.
chem.databases documentation built on Sept. 21, 2023, 5:06 p.m.
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| chem_wiki | 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.
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