Otis, are you suggesting we add a "Google" menu item in Jmol?
Bob
On Wed, Apr 13, 2011 at 1:14 AM, Otis Rothenberger <[email protected]>wrote:
> All-
>
> While looking into the use of Google as a chemical search engine, I ran
> across an interesting 2004 paper:
>
> Googling for INChIs; A remarkable method of chemical searching
> Peter Murray-Rust, Henry S. Rzepa and Yong Zhang
> http://lists.w3.org/Archives/Public/public-swls-ws/2004Oct/att-0019/
>
> As you can see, at least one of the authors is an occasional Users List
> contributor.
>
> While Resolver will convert Jmol created SMILES to InChI, I decided to play
> around with Standard InChI Key also. As the paper suggests, the results are
> remarkable. I believe a Google search that produces only one hit is called a
> Googlewhack. In this case, you get only one TYPE of hit, containing hits for
> the compound in question - no garbage. As per the the paper above, the use
> if InChI appears to be better than Standard InChI Key.
>
> With the current state of Jmol/Resolver, Jmol models can now be searched
> directly in Google using this InChI approach with almost 100% efficiency.
> Since what's being indexed here are pages containing Standard InChI, the
> Google return puts the focus on technical pages. Case in point:
>
> Google of squaric acid produces 29,000+ hits
>
> Google of 1S/C4H2O4/c5-1-2(6)4(8)3(1)7/h5-6H produces about 80 hits, all of
> them related to squaric acid.
>
> For aspirin: 1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
>
> About 1500 hits
>
> The following also has some interesting follow-up information of InChI and
> Google:
>
> http://www.iupac.org/inchi/
>
> The Boolean AND is the default multiple term search in Google, so use your
> imagination.
>
> Otis
>
> --
> Otis Rothenberger
> Department of Chemistry
> Illinois State University Normal, IL 61790-4160
> http://chemagic.org
>
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--
Robert M. Hanson
Professor of Chemistry
St. Olaf College
1520 St. Olaf Ave.
Northfield, MN 55057
http://www.stolaf.edu/people/hansonr
phone: 507-786-3107
If nature does not answer first what we want,
it is better to take what answer we get.
-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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Forrester Wave Report - Recovery time is now measured in hours and minutes
not days. Key insights are discussed in the 2010 Forrester Wave Report as
part of an in-depth evaluation of disaster recovery service providers.
Forrester found the best-in-class provider in terms of services and vision.
Read this report now! http://p.sf.net/sfu/ibm-webcastpromo
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