InChI: Porovnání verzí
Smazaný obsah Přidaný obsah
m r2.7.1) (Robot: Přidávám uk:InChI |
m {{Překlad}} bez odrážky; kosmetické úpravy |
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== Reference == |
== Reference == |
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{{Překlad|en|International Chemical Identifier|391895611}} |
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<references/> |
<references /> |
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== Externí odkazy == |
== Externí odkazy == |
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=== Software a služby === |
=== Software a služby === |
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* [http://cactus.nci.nih.gov/chemical/structure NCI/CADD Chemical Identifier Resolver] Generates and resolves InChI/InChIKeys and many |
* [http://cactus.nci.nih.gov/chemical/structure NCI/CADD Chemical Identifier Resolver] Generates and resolves InChI/InChIKeys and many other chemical identifiers |
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* [http://wwmm.ch.cam.ac.uk/gridsphere/gridsphere?cid=generateinchi&JavaScript=enabled/ Generate InChI] (interactive service at University of Cambridge, either interactive or WSDL) |
* [http://wwmm.ch.cam.ac.uk/gridsphere/gridsphere?cid=generateinchi&JavaScript=enabled/ Generate InChI] (interactive service at University of Cambridge, either interactive or WSDL) |
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* [http://wwmm.ch.cam.ac.uk/gridsphere/gridsphere?cid=inchigoogle&JavaScript=enabled/ Search Google for molecules] (generates InChI from interactive chemical and searches Google for any pages with embedded InChIs). Requires Javascript enabled on browser |
* [http://wwmm.ch.cam.ac.uk/gridsphere/gridsphere?cid=inchigoogle&JavaScript=enabled/ Search Google for molecules] (generates InChI from interactive chemical and searches Google for any pages with embedded InChIs). Requires Javascript enabled on browser |
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Verze z 7. 1. 2013, 22:39
InChI je zkratka pro anglický termín IUPAC International Chemical Identifier, tedy česky „Mezinárodní chemický identifikátor IUPAC“. Jedná se o textový identifikátor chemických látek, navržený jako standardní a lidsky čitelný způsob, jak kódovat informace o molekulách a jak umožnit vyhledávání takových informací v databázích a na webu. Systém InChI byl vyvinut IUPAC a NIST v období let 2000–2005, formát a algoritmy jsou otevřené, software je volně k dispozici pod licencí GNU LGPL (byť je označení „InChI“ ochrannou známkou IUPAC).[1]
Související články
Reference
V tomto článku byl použit překlad textu z článku International Chemical Identifier na anglické Wikipedii.
- ↑ MCNAUGHT, Alan. The IUPAC International Chemical Identifier:InChl. Chemistry International. IUPAC, 2006. Dostupné online [cit. 2007-09-18].
Externí odkazy
Dokumentace a prezentace
- Oficiální stránky IUPAC
- Informace o InChI
- InChI Technical Manual
- Description of the canonicalization algorithm
- Googling for InChIs a presentation to the W3C.
- The Semantic Chemical Web: GoogleInChI and other Mashups, Google Tech Talk by Peter Murray-Rust, 13 Sept 2006
- IUPAC InChI, Google Tech Talk by Steve Heller and Steve Stein, 2 November 2006
- InChI Release 1.02 InChI final version 1.02 and explanation of Standard InChi, January 2009
Software a služby
- NCI/CADD Chemical Identifier Resolver Generates and resolves InChI/InChIKeys and many other chemical identifiers
- Generate InChI (interactive service at University of Cambridge, either interactive or WSDL)
- Search Google for molecules (generates InChI from interactive chemical and searches Google for any pages with embedded InChIs). Requires Javascript enabled on browser
- ChemSketch, free chemical structure drawing package that includes input and output in InCHI format
- PubChem online molecule editor that supports SMILES/SMARTS and InChI
- ChemSpider Services that allows generation of InChI and conversion of InChI to structure (also SMILES and generation of other properties)
- MarvinSketch from ChemAxon, implementation to draw structures (or open other file formats) and output to InChI file format
- BKchem implements its own InChI parser and uses the IUPAC implementation to generate InChI strings