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IUPAC/InChI Trust InChI Licence 1.0 New license. Support for elements 105-112 added. CML support removed. InChI v. 1.05 Jan. 2017 IUPAC/InChI Trust InChI Licence 1.0 Support for elements 113-118 added. Experimental polymer support. Experimental large molecule support. RInChI v. 1.00 March 2017 IUPAC/InChI Trust InChI Licence 1.0, and BSD-style
IUPAC Digitized pKa Dataset IUPAC: dissociation constants "Dissociation Constants". GitHub. DETHERM DECHEMA thermophysical properties "DETHERM". 75,000 DrugBank: University of Alberta drugs "DrugBank". DrugCentral University of New Mexico pharmaceuticals products containing substance "DrugCentral". DTP/NCI DTP Open Compound collection
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 .
IUPAC is best known for its works standardizing nomenclature in chemistry, but IUPAC has publications in many science fields including chemistry, biology, and physics. [11] Some important work IUPAC has done in these fields includes standardizing nucleotide base sequence code names; publishing books for environmental scientists, chemists, and ...
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.
IUPAC states that, "As one of its major activities, IUPAC develops Recommendations to establish unambiguous, uniform, and consistent nomenclature and terminology for specific scientific fields, usually presented as: glossaries of terms for specific chemical disciplines; definitions of terms relating to a group of properties; nomenclature of chemical compounds and their classes; terminology ...
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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 ...