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pro vyhledávání: '"Alan McNaught"'
Publikováno v:
Journal of Cheminformatics
This paper documents the design, layout and algorithms of the IUPAC International Chemical Identifier, InChI.
Publikováno v:
Chemistry International. 39:47-47
For almost 100 years, IUPAC has been well known around the world for its efforts in standardizing nomenclature in chemistry. At the start of the present century, it became clear to all involved in chemical structure representation work that, with the
Publikováno v:
Journal of Cheminformatics
Since its public introduction in 2005 the IUPAC InChI chemical structure identifier standard has become the international, worldwide standard for defined chemical structures. This article will describe the extensive use and dissemination of the InChI
Publikováno v:
Chemistry International -- Newsmagazine for IUPAC. 35
Autor:
Stephen R. Heller, Andrey Erin, Dmitrii V. Tchekhovskoi, Kirill A. Blinov, Alan McNaught, Igor V. Pletnev
Publikováno v:
Journal of Cheminformatics, Vol 4, Iss 1, p 39 (2012)
Journal of Cheminformatics
Journal of Cheminformatics
InChIKey is a 27-character compacted (hashed) version of InChI which is intended for Internet and database searching/indexing and is based on an SHA-256 hash of the InChI character string. The first block of InChIKey encodes molecular skeleton while
Autor:
Alan McNaught, Stephen R. Heller
Publikováno v:
Journal of Cheminformatics
Journal of Cheminformatics, Vol 2, Iss Suppl 1, p P2 (2010)
Journal of Cheminformatics, Vol 2, Iss Suppl 1, p P2 (2010)
The IUPAC InChI/InChIKey project has evolved to the point where its future development and promulgation require a new management system that will provide stable and financially viable administrative arrangements for the foreseeable future. This is ne
Autor:
Paula de Matos, Rafael Alcántara, Kirill Degtyarenko, Martin Zbinden, Alan McNaught, Michael Darsow, Marcus Ennis, Janna Hastings, Michael Ashburner, Mickaël Guedj
Publikováno v:
Nucleic Acids Research
Chemical Entities of Biological Interest (ChEBI) is a freely available dictionary of molecular entities focused on ‘small’ chemical compounds. The molecular entities in question are either natural products or synthetic products used to intervene
Autor:
Alan McNaught
Publikováno v:
The Analyst. 116:1094
Autor:
Alan Mcnaughtan
Publikováno v:
Technology Innovation Management Review, Iss June 2013: Insights, Pp 39-41 (2013)
Externí odkaz:
https://doaj.org/article/bcc3d61cd33946cc89ec03b8df13ebdc