with CDK - Can you calculate 'simple molecular connectivity' molecular descriptors and can you give a simple code example:
eg. DMCON MOLC-1 path-1 simple molecular connectivity MOLC-2 path-1 simple molecular connectivity ring corrected MOLC-3 path-1 simple molecular connectivity - valence and ring corrected MCLC-4 path-2 molecular connectivity MOLC-5 path-3 molecular connectivity MOLC-6 patb-4 molecular connectivity MOLC-7 path-3 cluster molecular connectivity MOLC-8 path-4 cluster molecular connectivity MOLC-9 average distance sum connectivity - (Balaban J topological index) ------------------------------------------------------------------------- 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
