On Mon, Nov 24, 2008 at 5:11 PM, Robert DeLisle <rkdeli...@gmail.com> wrote: > Fantastic! Thanks, Greg! > > After I got things working I've been able to generate a database and do some > preliminary searches. I'm impressed at how quickly I can search ~100,000 > compounds with SMARTS patterns. I have a feeling this one is going to get a > lot of use.
glad to hear it looks useful. The search speed isn't terrible as it is, but it could be made a ton faster by using a substructure fingerprint. But that's for a later version. -greg
