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Showing 1 to 4 of 4 items tagged as chemical compounds


PubChem

database

Provider: National Center for Biotechnology Information/National Library of Medicine
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Descriptions: PubChem provides information on the biological activities of small molecules and is a component of NIH's Molecular Libraries Roadmap Initiative. It includes substance information, compound structures, and bioactivity data in three primary databases: PCSubstance, PCCompound and PCBioAssay. PCSubstance contains more than 12 million records; PCCompound contains more than 7 million unique structures; and PCBioAssay contains more than 200 bioassays.
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Common Chemistry

database

Provider: American Chemical Society
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Descriptions: Common Chemistry contains CAS Registry Number®, chemical names, molecular formulas, and structures or sequences for about 8,000 chemicals of general public interest. All are substances that have been cited 1,000 or more times in the CAS databases. Includes substances from aspirin to all the elements of the Periodic Table. While not a comprehensive CAS Registry Number look-up service, Common Chemistry provides a means to quickly find names or CAS Registry Numbers for chemicals of general interest.
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ChemSpider: Search and share chemistry

database

Provider: Royal Society of Chemistry, UK
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Descriptions: ChemSpider is a free chemical structure database providing fast text and structure search access to over 29 million structures from hundreds of data sources. Search by systematic or trade name, registry number, etc. Numerous features and applications are to be found here in addition to the main database: a publications list and educational information, RSS and mobile apps among them.
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DrugBank: Open Data Drug & Drug Target Database

database

Provider: David Wishart/University of Alberta, CA
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Access Level: ,
Descriptions: A bio- and chemical informatics resource that combines detailed drug (chemical, pharmacological and pharmaceutical) data with comprehensive drug targeting (sequence, structure, and pathway) information. The database contains nearly 4300 drug entries, including FDA-approved small molecule drugs, FDA-approved biotech (protein/peptide) drugs, "nutraceuticals" and experimental drugs. Contains more than 6,800 drug entries with almost 4,300 non-redundant protein sequences linked. Each entry, or  DrugCard, contains more than 80 data fields, half of which are devoted to drug/chemical data and the other half to drug target/protein data. Downloads and information on rights, acknowledgement and usage are available here.
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