CCL: Information on Reaction Similarity Searching
- From: Szabolcs Csepregi <scsepregi,,chemaxon.com>
- Subject: CCL: Information on Reaction Similarity Searching
- Date: Mon, 30 Oct 2006 23:04:10 +0100
Sent to CCL by: Szabolcs Csepregi [scsepregi%x%chemaxon.com]
Hi Scott,
See this link about how this is done in JChem:
http://www.chemaxon.com/jchem/doc/user/RFp.html
I hope this helps,
Szabolcs
Szabolcs Csepregi, PhD
Director of Search Technologies, ChemAxon Ltd.
http://www.chemaxon.com
Skype: szabolcs.csepregi
Tel: +36 1 3878564 Cell: +36 20 4219863 Fax: +36 1 4532659
Scott G Flicker sflicker2#%#earthlink.net wrote:
Sent to CCL by: "Scott G Flicker" [sflicker2[A]earthlink.net]
I am looking for information on algorithms to conduct Reaction Similarity
Searches against a chemical structure & reaction database. I have control
over the database so I could add indexes etc if necessary.
Thanks>