No, you'd have to implement the pre-screening stage yourself (which is pretty easy since there's a variety of fingerprints available)
On Sat, Nov 12, 2011 at 4:44 AM, Joos Kiener <[email protected]> wrote: > Hi all, > > is there a way to do a prescreen when using SMARTS Queries? > I know about the SMARTSQueryTool but that does not do any prescreening. > > Best Regards, > > Joos > > ------------------------------------------------------------------------------ > RSA(R) Conference 2012 > Save $700 by Nov 18 > Register now > http://p.sf.net/sfu/rsa-sfdev2dev1 > _______________________________________________ > Cdk-user mailing list > [email protected] > https://lists.sourceforge.net/lists/listinfo/cdk-user > -- Rajarshi Guha NIH Chemical Genomics Center ------------------------------------------------------------------------------ RSA(R) Conference 2012 Save $700 by Nov 18 Register now http://p.sf.net/sfu/rsa-sfdev2dev1 _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
