Yes I know about the fingerprints but what happens as example with a "*" in SMARTS. What kind of fingerprint do you get? I tried with extended fingerprinter and it does not seem to work then, eg. fingerprint stage filters out everything all the time.
Am 12.11.2011 14:43, schrieb Rajarshi Guha: > 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<j...@sunrise.ch> 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 >> Cdk-user@lists.sourceforge.net >> https://lists.sourceforge.net/lists/listinfo/cdk-user >> > > ------------------------------------------------------------------------------ RSA(R) Conference 2012 Save $700 by Nov 18 Register now http://p.sf.net/sfu/rsa-sfdev2dev1 _______________________________________________ Cdk-user mailing list Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
