Might work. The SMILES language is fairly extensive, including loops and all sorts of things. I'm guessing these are not trivial searches. This seems like a pretty esoteric option, in the sense that how many people are really going to be interested in it. On the other hand, it would be pretty interesting.

Miguel, is this the sort of thing that could be an "optional" package for the applet, or are you imagining it being strictly for the app, in the sense of a plugin?

Bob


Miguel wrote:

I think there is code for substructure searching in CDK that is worth
taking a look at.


--

Robert M. Hanson, [EMAIL PROTECTED], 507-646-3107
Professor of Chemistry, St. Olaf College
1520 St. Olaf Ave., Northfield, MN 55057
mailto:[EMAIL PROTECTED]
http://www.stolaf.edu/people/hansonr

"Imagination is more important than knowledge."  - Albert Einstein


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