InChI: Porovnání verzí

Přidáno 109 bajtů ,  před 3 lety
Robot: Opravuji 3 zdrojů and označuji 0 zdrojů jako nefunkční #IABot (v2.0beta8)
m (odstraněn nesmyslný příklad)
(Robot: Opravuji 3 zdrojů and označuji 0 zdrojů jako nefunkční #IABot (v2.0beta8))
* [ 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
230 014