Sorry do not have references. I was looking at your webpage 'ADAPT Descriptor Codes' which has all the descriptor codes
http://cheminfo.informatics.indiana.edu/~rguha/adapt/desccode.html#ctypes For CDK six codes I need not all there in CDK would it be possible to implement: Topological DMCON MOLC-3 Topological DMCHI (V) V6P V4P Topological DMCHI (S) S7CH There are a couple more but these may already have been implemented in CDK under slightly different name or maybe I am wrong MDE-34 MDE-44 In CDK these are listed as: Topological DEDGE MDEC-34 and MDEC-44 (is this the same as above)? Would it be easy to put these in CDK ? Thanks Robert Rajarshi Guha <[EMAIL PROTECTED]> wrote: > > On Sep 27, 2007, at 10:32 AM, Robert Stones wrote: > >> with CDK - Can you calculate 'simple molecular connectivity' molecular >> descriptors and can you give a simple code example: > > No, I don't think they've been implemented. Do you have references? > > I'm assuming they'll be pretty simple to implement, give that we have > a variety of other topologicals > > ------------------------------------------------------------------- > Rajarshi Guha <[EMAIL PROTECTED]> > GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE > ------------------------------------------------------------------- > All the evidence concerning the universe has not yet been collected, > so there's still hope. > > ------------------------------------------------------------------------- This SF.net email is sponsored by: Microsoft Defy all challenges. Microsoft(R) Visual Studio 2005. http://clk.atdmt.com/MRT/go/vse0120000070mrt/direct/01/ _______________________________________________ Cdk-user mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/cdk-user
