The Great Dalke strikes again! Thanks Gianluca, now that you point it out I remember reading about this in this mailing lists...
Perhaps I should have done a search before posting... . . | ~ - Jean-Paul Ebejer Early Stage Researcher On 25 May 2012 15:27, Gianluca Sforna <[email protected]> wrote: > On Fri, May 25, 2012 at 4:13 PM, JP <[email protected]> wrote: >> 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? > > Maybe you missed this recent item? > http://www.dalkescientific.com/writings/diary/archive/2012/05/12/mcs_background.html > > > -- > Gianluca Sforna > > http://morefedora.blogspot.com > http://identi.ca/giallu - http://twitter.com/giallu ------------------------------------------------------------------------------ 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 [email protected] https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
