CCL: STRUCTURES TO SMILES



 Sent to CCL by: "Igor Filippov [Contr]" [igorf-x-helix.nih.gov]
 No offense but questions like that make me wonder if
 people have stopped even trying to do something themselves, instead
 preferring just to dump it on the maillist in hopes somebody will do the
 job for them. Have you tried using Google ? It's quite a powerful tool
 for finding things.
 As for the answer to the question CACTVS, Pipeline Pilot,
 Daylight Toolkit all provide this functionality. In fact it's hard to
 find a chemoinformatics toolkit that DOESN'T do conversions to/from
 SMILES.
 If you just want something that converts a drawn structure into SMILES
 Java Molecular Editor as well as a dozen other applications will do the
 trick.
 If you only want to convert one or two structures you're welcome
 to use online tools at http://cactus.nci.nih.gov
 (e.g. - Online SMILES Translator).
 Igor
 On Fri, 2005-11-25 at 11:00, ragubalaji n ragubalaji_._gmail.com wrote:
 > Sent to CCL by: "ragubalaji  n" [ragubalaji::gmail.com]
 > Hi all,
 >
 > I am looking for tool where SMILES strings  can be generated from
 structures or connectivity tables.  Could anybody tell me where I can find it?
 > Thank you very much.
 >
 > ragu
 > Bangalore
 > ragubalaji[#]gmail.com>