From: Nina J. <jel...@gm...> - 2013-10-07 07:59:40
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On 7 October 2013 10:28, Egon Willighagen <ego...@gm...>wrote: > On Fri, Oct 4, 2013 at 4:32 PM, John May <jo...@eb...> wrote: > > There is no more Molecule in new CDK versions only AtomContainer, this > could > > be confusing - vote here: http://strawpoll.me/501772 > > Nico Adams suggested on Google+ the obvious thing that I should have > thought of last Friday too... why not go semantic all the way, and use > ChemicalEntity as root container... > > +1 Nina > I think this is the right (tm) solution. Seriously, why not take a > proven language like ChEBI, why not align with what the community has > come up as term for what it really is... > > Egon > > -- > Dr E.L. Willighagen > Postdoctoral Researcher > Department of Bioinformatics - BiGCaT > Maastricht University (http://www.bigcat.unimaas.nl/) > Homepage: http://egonw.github.com/ > LinkedIn: http://se.linkedin.com/in/egonw > Blog: http://chem-bla-ics.blogspot.com/ > PubList: http://www.citeulike.org/user/egonw/tag/papers > ORCID: 0000-0001-7542-0286 > > > ------------------------------------------------------------------------------ > October Webinars: Code for Performance > Free Intel webinars can help you accelerate application performance. > Explore tips for MPI, OpenMP, advanced profiling, and more. Get the most > from > the latest Intel processors and coprocessors. See abstracts and register > > http://pubads.g.doubleclick.net/gampad/clk?id=60134791&iu=/4140/ostg.clktrk > _______________________________________________ > Cdk-devel mailing list > Cdk...@li... > https://lists.sourceforge.net/lists/listinfo/cdk-devel > |