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ChemicalData Source Information

ChemicalData is based on a wide range of sources, including Material Data Safety Sheets from various vendors, with enhancement at the Wolfram Research Companies by both human and algorithmic processing. ChemicalData is continually maintained with the latest available information, with automatic updating when ChemicalData is used inside Mathematica.

Among principal sources for ChemicalData are:

Barbalace, K. "Chemical Database." 2007. »

ChemExper, Inc. "ChemExper Chemical Directory." 2007. »

European Bioinformatics Institute. "Chemical Entities of Biological Interest (ChEBI)." 2008. »

Faculty of Chemical Technology. "Solubility Product Constants." 2003. »

Hardy, J. K. "The Chemical Database." 2007. »

Irwin, J. J. and B. K. Shoichet. "ZINC--A Free Database of Commercially Available Compounds for Virtual Screening." Journal of Chemical Information and Modeling 45, no. 1 (2005): 177-182. »

Lide, D. R. (Ed.). CRC Handbook of Chemistry and Physics. (87th ed.) CRC Press, 2006.

Michigan State University. "Ionization Constants of Inorganic Acids." 2008. »

MSDSonline Inc. "Material Data Safety Sheet." 2008. »

Msdsweb.com. "Material Data Safety Sheet." 2008. »

National Center for Manufacturing Sciences. "SOLV-DB." 2008. »

Oxford University Physical and Theoretical Chemistry Laboratory. "Chemical and Other Safety Information." 2007. »

Sigma-Aldrich Company. "Aldrich Chemistry." 2008. »

Toreki, R. "Where to Find Material Safety Data Sheets on the Internet." 2008. »

United Laboratories, Inc. "Material Safety Data Sheets." 2008. »

United States Department of Health & Human Services, National Library of Medicine. "Household Products Database - Health and Safety Information on Household Products." 2008. »

United States Environmental Protection Agency. "Chemical Fact Sheets: Pollution and Prevention." 2006. »

United States National Institute of Standards and Technology. "NIST Chemistry Webbook." 2005. »

United States National Library of Medicine. "PubChem Compound" 2008. »

United States National Library of Medicine. "The PubChem Project." 2007. »

United States National Cancer Institute. "Enhanced NCI Database Browser." 2007. »

Vermont Safety Information Resources, Inc. "SIRI MSDS Index." 2008. »

Wishart, D. "DrugBank." 2006. »

To report an error or suggest an addition to ChemicalData, contact the Wolfram Research ChemicalData team.