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  2. PubChem - Wikipedia

    en.wikipedia.org/wiki/PubChem

    PubChem is a database of chemical molecules and their activities against biological assays. The system is maintained by the National Center for Biotechnology Information (NCBI), a component of the National Library of Medicine , which is part of the United States National Institutes of Health (NIH).

  3. List of chemical databases - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_databases

    good correlated with PubChem on data that is available on PubChem "HugeMDB". 102 million ICSC ILO International Chemical Safety Cards International Labour Organization: CAS, EC number, UNnumber "ICSC". 1784 ICSD Inorganic Crystal Structure Database: FIZ Karlsruhe GmbH "ICSD". 161,030 IEDB Immune Epitope Database

  4. Chemical database - Wikipedia

    en.wikipedia.org/wiki/Chemical_database

    Large databases, such as PubChem [11] [20] and ChemSpider, [21] have graphical interfaces for search. The Chemical Abstracts Service provides tools to search the chemical literature and Reaxys supplied by Elsevier covers both chemicals and reaction information, including that originally held in the Beilstein database . [ 22 ]

  5. ChemSpider - Wikipedia

    en.wikipedia.org/wiki/ChemSpider

    A number of available search modules are provided: The standard search allows querying for systematic names , trade names and synonyms and registry numbers The advanced search allows interactive searching by chemical structure, chemical substructure, using also molecular formula and molecular weight range, CAS numbers, suppliers, etc.

  6. CAS Registry Number - Wikipedia

    en.wikipedia.org/wiki/CAS_Registry_Number

    Screenshot of the CAS Common Chemistry database with information about caffeine ().. A CAS Registry Number [1] (also referred to as CAS RN [2] or informally CAS Number) is a unique identification number, assigned by the Chemical Abstracts Service (CAS) in the US to every chemical substance described in the open scientific literature, in order to index the substance in the CAS Registry.

  7. International Chemical Identifier - Wikipedia

    en.wikipedia.org/wiki/International_Chemical...

    The International Chemical Identifier (InChI, pronounced / ˈ ɪ n tʃ iː / IN-chee) [3] is a textual identifier for chemical substances, designed to provide a standard way to encode molecular information and to facilitate the search for such information in databases and on the web.

  8. Chemical file format - Wikipedia

    en.wikipedia.org/wiki/Chemical_file_format

    The US National Institute of Health PubChem database is a huge source of chemical data. All of the data is in two-dimensions. Data includes SDF, SMILES, PubChem XML, and PubChem ASN1 formats. The worldwide Protein Data Bank [12] is an excellent source of protein and nucleic acid molecular coordinate data. The data is three-dimensional and ...

  9. Category:PubChem ID (CID) same as Wikidata - Wikipedia

    en.wikipedia.org/wiki/Category:PubChem_ID_(CID...

    This category is hidden on its member pages—unless the corresponding user preference (Appearance → Show hidden categories) is set.; These categories can be used to track, build and organize lists of pages needing "attention en masse" (for example, pages using deprecated syntax), or that may need to be edited at someone's earliest convenience.