InChI: Porovnání verzí

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* [http://video.google.com/videoplay?docid=5871900250712259806 The Semantic Chemical Web: GoogleInChI and other Mashups], Google Tech Talk by Peter Murray-Rust, 13 Sept 2006
* [http://video.google.com/videoplay?docid=5871900250712259806 The Semantic Chemical Web: GoogleInChI and other Mashups], Google Tech Talk by Peter Murray-Rust, 13 Sept 2006
* [http://video.google.com/videoplay?docid=-6653695245776470969 IUPAC InChI], Google Tech Talk by Steve Heller and Steve Stein, 2 November 2006
* [http://video.google.com/videoplay?docid=-6653695245776470969 IUPAC InChI], Google Tech Talk by Steve Heller and Steve Stein, 2 November 2006
* [http://www.iupac.org/inchi/release102final.html InChI Release 1.02] InChI final version 1.02 and explanation of Standard InChi, January 2009
* [https://web.archive.org/web/20100330213717/http://www.iupac.org/inchi/release102final.html InChI Release 1.02] InChI final version 1.02 and explanation of Standard InChi, January 2009


=== Software a služby ===
=== Software a služby ===
* [http://cactus.nci.nih.gov/chemical/structure NCI/CADD Chemical Identifier Resolver] Generates and resolves InChI/InChIKeys and many other chemical identifiers
* [http://cactus.nci.nih.gov/chemical/structure NCI/CADD Chemical Identifier Resolver] Generates and resolves InChI/InChIKeys and many other chemical identifiers
* [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)
* [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
* [https://web.archive.org/web/20060117153546/http://wwmm.ch.cam.ac.uk/gridsphere/gridsphere?cid=inchigoogle Search Google for molecules] (generates InChI from interactive chemical and searches Google for any pages with embedded InChIs). Requires Javascript enabled on browser
* [http://www.acdlabs.com/download/chemsk.html ChemSketch], free chemical structure drawing package that includes input and output in InCHI format
* [http://www.acdlabs.com/download/chemsk.html ChemSketch], free chemical structure drawing package that includes input and output in InCHI format
* [http://pubchem.ncbi.nlm.nih.gov/edit/index.html PubChem online molecule editor] that supports [[SMILES]]/SMARTS and InChI
* [http://pubchem.ncbi.nlm.nih.gov/edit/index.html PubChem online molecule editor] that supports [[SMILES]]/SMARTS and InChI
* [http://www.chemspider.com/Services.aspx? ChemSpider Services] that allows generation of InChI and conversion of InChI to structure (also SMILES and generation of other properties)
* [http://www.chemspider.com/Services.aspx? ChemSpider Services] that allows generation of InChI and conversion of InChI to structure (also SMILES and generation of other properties)
* [http://www.chemaxon.com/demosite/marvin/index.html MarvinSketch] from [[ChemAxon]], implementation to draw structures (or open other file formats) and output to InChI file format
* [https://web.archive.org/web/20070404073952/http://www.chemaxon.com/demosite/marvin/index.html MarvinSketch] from [[ChemAxon]], implementation to draw structures (or open other file formats) and output to InChI file format
* [http://bkchem.zirael.org/inchi_en.html BKchem] implements its own InChI parser and uses the IUPAC implementation to generate InChI strings
* [http://bkchem.zirael.org/inchi_en.html BKchem] implements its own InChI parser and uses the IUPAC implementation to generate InChI strings


Verze z 27. 8. 2018, 23:42

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.

  1. ↑ MCNAUGHT, Alan. The IUPAC International Chemical Identifier:InChl. Chemistry International. IUPAC, 2006. Dostupné online [cit. 2007-09-18]. 

Externí odkazy

Dokumentace a prezentace

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
Citováno z „https://cs.wikipedia.org/w/index.php?title=InChI&oldid=16368606“