On Mon, Nov 14, 2011 at 1:19 AM, Nina Jeliazkova <jeliazkova.n...@gmail.com> wrote:
> More or less similar to what we do in Ambit (paper [1] ,code [2] ) and apply > in the online substructure search > http://apps.ideaconsult.net:8080/ambit2/query/smarts . Does the Ambit parametrization expand out OR expressions, to generate multiple 'maximal chemical objects'? So that one owuld get 3 fingerprints for [Cl,Br,F]CCCC, which would be or'd together to get the final query fingerprint? -- 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 Cdk-user@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/cdk-user
