ChemSpider was given life and crawled onto the web in front of the public on March 27th of this year. 4 months later we have come a long way and have pretty well stayed on our trajectory and intentions to deliver a valuable Open Access system to chemists around the world. A lot of questions are coming through regarding the intentions behind the system and where we are going. Also, more and more, where do we see ourselves relative to PubChem, eMolecules and CAS. I’ve tried to address these questions in a presentation. It is available as a Powerpoint presentation or as a PDF file.

Maybe I have misrepresented something in my rush to communicate through this medium. Hopefully no one is upset at the commentary but, as I’ve become used to in the blogosphere, someone likely is please comment here or send me an email off line.

Stumble it!

6 Responses to “A General Overview of ChemSpider – A Presentation”

  1. Rich Apodaca says:

    Very interesting presentation. Any plans in the works to offer a developer Web API for ChemSpider?

  2. Joerg Kurt Wegner says:

    Agreed, very nice, indeed.

    Good point, Rich! On the other hand, be prepared for download robots, wanted or not. From a mining standpoint of view this would be nice, on the other hand I would prefer that only people with constructive interest could do it. I would not like to see a DB clone overloaded with adsense, spam, and who knows what else. So, some kind of user authentification (with/without contract) sounds like a reasonable idea for mining purposes. If you have ideas for making money with that. Please follow the good example of OpenEye, by offering free academic licenses.
    This is crucial, because a reasonable amount of innovation comes from academia, and those guys do not have the money for competing with industry.

    Beside ever thought about a tighter Google integration or contacting those guys? E.g., if a search term looks very ‘chemical’ Google could do a cross-search in chemical databases.

  3. Antony Williams says:

    Yes, absolutely we have plans for an API. In fact there is a lot of interest coming from academia, industry and vendors. Since you are from large pharma I am interested in how you would expect to use the API…what would you expect to get out of the integration. I welcome your comments here or via direct email.

  4. Antony Williams says:

    I have watched the OpenEye group over the years and admit that I am very impressed with the impact that they have had and with the tools they build. The registration system you are asking about already exists. See Also, I am writing some short details about this at present.

    ChemAxon have a similar model to OpenEye in terms of providing tools to academia and both should be acknowledged for their efforts to provide tools to academia.

    I think the Google integration was likely tried before by Chmoogle :-)

  5. Joerg Kurt Wegner says:

    Sure, ChemAxon is another one, so as many other tireless workers like P. Ertl, WDI (W. D. Ihlenfeldt), and many more. I hope nobody is offended that I mentioned OE (OpenEye), but they contributed a large amount to my expertise, my PhD, and the community. So, I think I am allowed doing this.

    Just one note, ‘big pharma’ will probably never send any structures, so you have to come to ‘big pharma’ ;-) Just image people would work on a high-priority target and something would go wrong with your service and a structure is released to the whole world destroying several years of research. Who will pay for that? You could easily ruin a person or a company (many persons) with that.

    For further feedback you have to contact another persons … and/or to set-up a CDA (confidential disclosure agreement). Sorry guys, life changes situations.

  6. ChemSpider Blog » Blog Archive » Access to ChemSpider Web Services Starts - Initial Exposure of InChI Related Services says:

    [...] (of course it’s already well out of date). There were some interesting comments to that blog posting in terms of whether we would be making available a web API. As part of a collaboration we are [...]

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