CCL: comparing database results



 Sent to CCL by: Szabolcs Csepregi [scsepregi ~~ chemaxon.com]
 Hi Iain,
 
Instant JChem can do overlap analysis of two tables, for which you can choose chemical tanimoto similarity as well as perfect match as metric. See the help for more information: http://www.chemaxon.com/instantjchem/webPages/htmlFiles/overlap_analysis.html
 
Instant JChem is free for everyone to use with its local (embedded) database engine.
 http://www.chemaxon.com/product/ijc.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
 Iain MacDougall iain.macdougall##studentmail.newcastle.edu.au wrote:
 
 Sent to CCL by: "Iain  MacDougall"
 [iain.macdougall\a/studentmail.newcastle.edu.au]
 I have two sets of compounds from in silico database searching. I have compared
 the compounds and have found that none are identical, however I wish to find
 similar hits as well. I can do this by eye for small numbers of hits but this
 will be impossible for some of my larger hitlists. Does anyone know of freeware
 that will do some kind of structural comparison/similarity searching for me?
 Thanks for your help!>