Hello, I was about to ask the same (I am one of the authors of the mentioned paper) - I had seen this post (gosh, a year ago) but had no time back then to answer (job search and a move from the US to Europe).
I was digging into this last week a bit, however, I can not say much yet - very initial work. If something comes out of it, I would contribute it to RDKit. Well, if somebody has already done, I am happy, too. Or we join forces (however, for me it is only some private hacking with not so much time). Markus On Wed, Apr 2, 2014 at 11:32 AM, Dave W <davejw...@molplex.com> wrote: > Hi Markus and all, > > Did you or anyone else end up coding this up? I am looking into doing it > myself, but if it's already been done... > > Many thanks, > Dave > > > > ------------------------------------------------------------------------------ > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss ------------------------------------------------------------------------------ _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
