On Sat, Nov 7, 2009 at 3:44 PM, Evgueni Kolossov <ekolos...@gmail.com> wrote: > > I have not done full profiling - this came just from the difference between > time with and without Replace Dummmy
are you doing the replace dummy for each fragment every time before you do a search or do you do it just once? I would guess that replacing the dummy atoms shouldn't take very long at all, and then doing the searches should also be reasonably quick. One complication might be that having the query atoms will return a lot more matches than the non-query dummies; this will naturally take longer. -greg ------------------------------------------------------------------------------ Let Crystal Reports handle the reporting - Free Crystal Reports 2008 30-Day trial. Simplify your report design, integration and deployment - and focus on what you do best, core application coding. Discover what's new with Crystal Reports now. http://p.sf.net/sfu/bobj-july _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
