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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