From: Robert S. <r.s...@cs...> - 2007-09-27 14:32:40
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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) |