Rajarshi Guha: > There isn't a good way to do pre-screening with SMARTS queries. One > possibility is to pull out the "constant" portion of the SMARTS query > and use that in a fingerprint pre-screen. Take a look at > http://www.daylight.com/meetings/emug00/Sayle/substruct.html for some > other ideas on this
I have been thinking about taht. How difficult is it actually to do? Is it pretty straight forward to extract the "constant" part? -- // Jonathan ------------------------------------------------------------------------------ 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
