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The International Chemical Identifier (InChI, pronounced / ˈ ɪ n tʃ iː / IN-chee) [3] is a textual identifier for chemical substances, designed to provide a standard way to encode molecular information and to facilitate the search for such information in databases and on the web.
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).
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 ...
International Chemical Identifier (InChI), the IUPAC's alternative to SMILES Molecular Query Language , a query language allowing also numerical properties, e.g. physicochemical values or distances Chemistry Development Kit , 2D layout and conversion software
Identification of the ring or chain with the maximum number of senior groups. Identification of the ring or chain with the most senior elements (In order: N, P, Si, B, O, S, C). Identification of the parent compound. Rings are senior to chains if composed of the same elements. For cyclic systems: Identification of the parent cyclic ring.
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 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)
ChemSpider is a service of the Royal Society of Chemistry. It is a database of data about chemicals. It is a database of data about chemicals. It generates a unique identifier for each molecule, and these are used in Wikidata and in Wikipedia's {{ Chembox }} template.