from Wiktionary, Creative Commons Attribution/Share-Alike License

  • International Chemical Identifier


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  • From that, I'll go through various ways to calculate molecular properties, from molecular weight to fingerprint similarity to calling InChI through the command-line.

    Planet Python

  • I suppose this depends on how specific you can make the regular expression; e.g. if you include the word "InChI:" itself, there should be no false postives, right?

    Cb comments for InChI's

  • In no way it is currently possible to add a string like "InChI", "InChI=1/bla/bla".

    Molecular indexing on the KDE and OS/X desktops

  • The use cheminformatics tools such as SMILES, InChI, InChIKeys and JCAMP-DX to store and retrieve experimental information on a public laboratory notebook is detailed. audio (mp3)

    ACS Talk on Cheminformatics in Open Notebook Science

  • This complements RSC's existing leading role in online chemistry, including award-winning semantic mark-up technology and the release of the InChI resolver, recently launched in partnership with ChemSpider

    RSC acquires ChemSpider

  • There is an option to have ChemSpider link back to blog, and I will have to figure out how to enable Chemical blogspace to extract the InChI from the underlying JavaScripts.

    YouTube for Chemistry

  • More practically, I can imagine seeing Project Prospect contributing InChI-DOI links to ChemSpider very soon.

    Archive 2009-05-01

  • Jason Wilde asked me to pass on that he is giving a talk about Nature Chemistry functionality at the InChI symposium 3pm on Sunday.

    Nature Chemistry improves publishing chemistry: a detailed analysis

  • Rich, not entirely sure what part of that page you are referring to, but I see: 1. InChI-DOI links 2. some experimental data, such melting point

    ChemSpider and the RSC: where next?

  • But, importantly, it allows third-parties to efficiently set up DOI-InChI tables.

    Quality Publishing: EndNote versus InChIs


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