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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. Chemical file format - Wikipedia

    en.wikipedia.org/wiki/Chemical_file_format

    The format was originally developed and published by Molecular Design Limited (MDL). MOL is another file format from MDL. It is documented in Chapter 4 of CTfile Formats. [6] PubChem also has XML and ASN1 file formats, which are export options from the PubChem online database. They are both text based (ASN1 is most often a binary format).

  4. List of chemical databases - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_databases

    WURCS GlycoCT PubChem CID G "Glycan Repository". 122194 Gmelin Gmelin database: Elsevier: inorganic and organometallic compounds closed access 1,500,000 G-SRS Global Substance Registration System: CAS PubChem ChEMBL INN UNII "G-SRS". 109,260 GMD Golm Metabolome Database GC/MS of metabolites "GMD". Guide to PHARMACOLOGY IUPHAR: drugs and targets

  5. Chemical database - Wikipedia

    en.wikipedia.org/wiki/Chemical_database

    A chemical database is a database specifically designed to store chemical information. This information is about chemical and crystal structures , spectra, reactions and syntheses, and thermophysical data.

  6. Template:PubChem - Wikipedia

    en.wikipedia.org/wiki/Template:PubChem

    No description. Template parameters [Edit template data] Parameter Description Type Status 1 1 no description Unknown optional 2 2 no description Unknown optional The above documentation is transcluded from Template:PubChem/doc. (edit | history) Editors can experiment in this template's sandbox (create | mirror) and testcases (create) pages. Add categories to the /doc subpage. Subpages of this ...

  7. Simplified Molecular Input Line Entry System - Wikipedia

    en.wikipedia.org/wiki/Simplified_Molecular_Input...

    A common application of canonical SMILES is indexing and ensuring uniqueness of molecules in a database. The original paper that described the CANGEN [ 2 ] algorithm claimed to generate unique SMILES strings for graphs representing molecules, but the algorithm fails for a number of simple cases (e.g. cuneane , 1,2-dicyclopropylethane) and ...

  8. Database schema - Wikipedia

    en.wikipedia.org/wiki/Database_schema

    The database schema is the structure of a database described in a formal language supported typically by a relational database management system (RDBMS). The term " schema " refers to the organization of data as a blueprint of how the database is constructed (divided into database tables in the case of relational databases ).

  9. Database normalization - Wikipedia

    en.wikipedia.org/wiki/Database_normalization

    Normalization is a database design technique, which is used to design a relational database table up to higher normal form. [9] The process is progressive, and a higher level of database normalization cannot be achieved unless the previous levels have been satisfied.