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The continuing development of the standard has been supported since 2010 by the not-for-profit InChI Trust, of which IUPAC is a member. Version 1.06 and was released in December 2020. [8] Prior to 1.04, the software was freely available under the open-source LGPL license. [9] Versions 1.05 and 1.06 used a custom license called IUPAC-InChI Trust ...
CSDB ID "CSDB". CTD Comparative Toxicogenomics Database: Department of Biological Sciences at North Carolina State University MeSH CASNo ChEBI PubChem genes, pathways "CTD". DDB Dortmund Data Bank: pure compounds, mixtures, gas hydrates physical properties "DDB". Dissociation Constants: IUPAC Digitized pKa Dataset IUPAC: dissociation constants
Chemicalize is an online platform for chemical calculations, search, and text processing. [1] It is developed and owned by ChemAxon and offers various cheminformatics tools in freemium model: chemical property predictions, structure-based and text-based search, chemical text processing, and checking compounds with respect to national regulations of different countries.
ChemMantis, [14] the Chemistry Markup And Nomenclature Transformation Integrated System uses algorithms to identify and extract chemical names from documents and web pages and converts the chemical names to chemical structures using name-to-structure conversion algorithms and dictionary look-ups in the ChemSpider database. The result is an ...
Chemical nomenclature is a set of rules to generate systematic names for chemical compounds.The nomenclature used most frequently worldwide is the one created and developed by the International Union of Pure and Applied Chemistry (IUPAC).
The International Union of Pure and Applied Chemistry (IUPAC / ˈ aɪ juː p æ k, ˈ juː-/) is an international federation of National Adhering Organizations working for the advancement of the chemical sciences, especially by developing nomenclature and terminology.
The IUPAC name is usually a good choice for representing a molecule's structure in a both human-readable and unique string although it becomes unwieldy for larger molecules. Trivial names on the other hand abound with homonyms and synonyms and are therefore a bad choice as a defining database key.
The main structure of chemical names according to IUPAC nomenclature. The International Union of Pure and Applied Chemistry (IUPAC) has published four sets of rules to standardize chemical nomenclature. There are two main areas: IUPAC nomenclature of inorganic chemistry (Red Book) IUPAC nomenclature of organic chemistry (Blue Book)
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