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02 10 2007

Helping the Cheminformatics Community Through Our Web Services

Posted by: Antony Williams in Uncategorized

Copyright©2007 Antony Williams

Rich Apodaca is using our services and, being Rich (and I mean that in a GOOD way!) he is being more demanding. He comments as shown below:

apodaca1.png

What is feasible at present? Here are some URLs …try them out

http://www.chemspider.com/Chemical-Structure/10470357.html

http://www.chemspider.com/InChIKey/DEIYFTQMQPDXOT-RERXVCSDCZ

http://www.chemspider.com/InChI/1/C22H30N6O4S.C6H8O7/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28;7-3(8)1-6(13,5(11)12)2-4(9)10/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29);13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

http://www.chemspider.com/image/16740650

http://www.chemspider.com/mol/16740650

http://www.chemspider.com/image/16740650.png

http://www.chemspider.com/mol/16740650.mol

Rich provides an example of a developer wanting to utilize the services in a certain way..as outlined below….

apodaca2.png

We’re doing what we can to satiate those needs… Rich, it’s nice to be appreciated. Thanks!

Stumble it!

This entry was posted on Tuesday, October 2nd, 2007 at 11:30 pm and is filed under Uncategorized. You can follow any responses to this entry through the RSS 2.0 feed. You can leave a response, or trackback from your own site.

5 Responses to “Helping the Cheminformatics Community Through Our Web Services”

  1. Helping the Cheminformatics Community Through Our Web Services says:
    October 3rd, 2007 at 12:09 am

    [...] You can read the rest of this blog post by going to the original source, here [...]

  2. Egon Willighagen says:
    October 3rd, 2007 at 3:17 pm

    My hands are itching… let’s get http://rdf.chemspider.com/InChIKey/DEIYFTQMQPDXOT-RERXVCSDCZ going…

    I have set up preliminary supporting Class’s and Property’s for this kind of work for Strigi [1]. We can have this set up in a couple of days…

  3. Rich Apodaca says:
    October 3rd, 2007 at 9:59 pm

    Me… demanding? What ever gave you that idea? :-)

    Actually, this is great stuff.

    But…

    I’m not sure this fits w/ ChemSpider’s goals, so feel free to say so… I”d still like the url:

    http://www.chemspider.com/InChIKey/DEIYFTQMQPDXOT-RERXVCSDCZ

    and the others like it to point to the compound summary page – not to a query results page. If the encoded InChIKey is not on CS, then a 404 would be returned.

    Then, nesting CS resources (images, links, molfiles, etc.) for a molecule under it’s InChIKey URL would make it trivial to program ChemSpider.

  4. ChemSpider Blog » Blog Archive » Curators Perform Heroic Duties. They Should be Celebrated! says:
    October 4th, 2007 at 12:42 pm

    [...] Instead we are doing great things for the community I hope. We have opened up a series of services that the Open Access world likes (specifically the Blue obelisk players..), we are donating our database to PubChem shortly, and we [...]

  5. Egon Willighagen says:
    October 9th, 2007 at 7:03 am

    What about http://www.chemspider.com/mol/InChI/1/CH4/h1H4 ?

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