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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 ...
In chemical nomenclature, the IUPAC nomenclature of organic chemistry is a method of naming organic chemical compounds as recommended [1] [2] by the International Union of Pure and Applied Chemistry (IUPAC). It is published in the Nomenclature of Organic Chemistry (informally called the Blue Book). [3]
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 ...
The nomenclature used most frequently worldwide is the one created and developed by the International Union of Pure and Applied Chemistry (IUPAC). IUPAC Nomenclature ensures that each compound (and its various isomers ) have only one formally accepted name known as the systematic IUPAC name .
Computer-assisted organic synthesis software is a type of application software used in organic chemistry in tandem with computational chemistry to help facilitate the tasks of designing, predicting, and producing chemical reactions. CAOS aims to identify a series of chemical reactions which, from a starting compound, can produce a desired molecule.
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.
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