Excuse the Cheminformatics 101 question. I have two molecules. Is there a way in RDKit how I can get the largest possible substructure between the two input molecules?
I understand this can be done with subgraph isomorphism techniques, is there some out-of-the-box functionality for this? Does anyone have some pointers on this subject? - Jean-Paul Ebejer Early Stage Researcher ------------------------------------------------------------------------------ Live Security Virtual Conference Exclusive live event will cover all the ways today's security and threat landscape has changed and how IT managers can respond. Discussions will include endpoint security, mobile security and the latest in malware threats. http://www.accelacomm.com/jaw/sfrnl04242012/114/50122263/ _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
