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  2. Chemical file format - Wikipedia

    en.wikipedia.org/wiki/Chemical_file_format

    A chemical file format is a type of data file which is used specifically for depicting molecular data. One of the most widely used is the chemical table file format, which is similar to Structure Data Format files. They are text files that represent multiple chemical structure records and associated data fields.

  3. Chemical table file - Wikipedia

    en.wikipedia.org/wiki/Chemical_table_file

    Chemical table file (CT file) is a family of text-based chemical file formats that describe molecules and chemical reactions. One format, for example, lists each atom in a molecule, the x-y-z coordinates of that atom, and the bonds among the atoms.

  4. Category:Chemical file formats - Wikipedia

    en.wikipedia.org/wiki/Category:Chemical_file_formats

    Chemical file format; C. CCP4 (file format) CDX Format; CDXML; Chemical Markup Language; Chemical table file; Crystallographic Information File; H. Hierarchical ...

  5. Cambridge Structural Database - Wikipedia

    en.wikipedia.org/wiki/Cambridge_Structural_Database

    The primary file format for CSD structure deposition, adopted around 1991, is the "Crystallographic Information file" format, CIF. [16] The deposited CSD files can be downloaded in the CIF format. The validated and curated CSD files can be exported in a wide range of formats, including CIF, MOL, Mol2, PDB, SHELX and XMol, using tools in the CSD ...

  6. Wikipedia : WikiProject Chemicals/Data

    en.wikipedia.org/wiki/Wikipedia:WikiProject...

    Chemical Profiles (The Innovation Group) Chemical Information from ImageWave; Chemistry resources is a collection of links and references that are useful for chemistry-related work. This includes free online chemical databases, publications, patents, computer programs, and various tools.

  7. Chemical database - Wikipedia

    en.wikipedia.org/wiki/Chemical_database

    Chemical literature databases correlate structures or other chemical information to relevant references such as academic papers or patents. This type of database includes STN, Scifinder, and Reaxys. Links to literature are also included in many databases that focus on chemical characterization.

  8. List of file formats - Wikipedia

    en.wikipedia.org/wiki/List_of_file_formats

    CAG (file format) – Linear Reference System; FES (file format) – 3D Topicscape file, produced when a fileless occurrence in 3D Topicscape is exported to Windows. Used to permit round-trip (export Topicscape, change files and folders as desired, re-import them to 3D Topicscape) MGMF – MindGenius Mind Mapping Software file format

  9. List of chemical databases - Wikipedia

    en.wikipedia.org/wiki/List_of_chemical_databases

    Chemical reactions from the patent literature Chemical reaction SMILES, annotated procedures, characterization data, reference metadata Curated from patent literature "SaguaroChem". 4 July 2024. 2,091,105 SciFinder: Chemical Abstracts Service of American Chemical Society: organic, inorganic chemicals, proteins CASNo paid access only 130,000,000