Sorry - yes thats what I am interested in a bitstring stored in a database for every molecule that can be searched first before doing substructure searching.
Thanks >I think the idea is to have the bit strings precalculated for a set >of molecules. Then rather than doing a substructure search over all >the molecules, you can do a fast bit comparison, and get a smaller >number of molecules to perform the substructure search on. >That is the way we do it in our databases here - definitely saves time! CSL Bioinformatics Internet Pages at http://bioinformatics.csl.gov.uk ---------------------------------------------------------------------- Robert Stones MRes, BSc Phone: +44 (0)1904 462675 Higher Bioinformatics Specialist GTN: 5129 2675 Central Science Laboratory Fax: +44 (0)1904 462111 Sand Hutton Email: [EMAIL PROTECTED] York YO41 1LZ Web: http://www.csl.gov.uk ---------------------------------------------------------------------- ------------------------------------------------------------------------- This SF.net email is sponsored by DB2 Express Download DB2 Express C - the FREE version of DB2 express and take control of your XML. No limits. Just data. Click to get it now. http://sourceforge.net/powerbar/db2/ _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
