SMILES strings and on-line tutorials

[peter.ertl at cp.Novartis.com]

Dear Anthony and other smiling colleagues,

The next version of our Novartis molecular editor applet (planned to be
released sometimes in November) will have built-in SMILES canonizer, so it
will create unique SMILES for (nearly) any molecule independent on the way
how the molecule was drawn. (The applet is freely available for
non-commercial use, if interested contact me directly.)
One nice interactive chemical nomenclature tutorial is already available on
the web. Prof. Reusch solved the problem with non-unique SMILES by checking
all (2 or 3) possibilities. See
http://www.cem.msu.edu/~reusch/OrgPage/Questions/MOLEDITOR/strctur1.htm

Greetings
peter ertl


========================================================
 Dr. Peter Ertl
 Novartis Crop Protection AG
 Lead Discovery
 WRO-1060.7.20
 CH-4002 Basel, Switzerland
 tel. (+41)61-6972468
 fax. (+41)61-6975541
 peter.ertl at cp.novartis.com
========================================================

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