On Fri, Mar 11, 2016 at 10:05 AM, Jean-Marc Nuzillard <
jm.nuzill...@univ-reims.fr> wrote:
>
> Le 11/03/2016 05:11, Greg Landrum a écrit :
>
>
> Here's a question for the chemists in the group: do we need to be
> concerned about representing the stereochemistry of the P=C bond in
> substructures like O=P(/O)=C/C under normal circumstances?
>
>
> It has a meaning to write that the configuration of the P=C bond is Z or
> E.
>
If this is the case, I'd love to add some real examples to the test suite.
Can you point me to some examples (or a paper/web page talking about the
topic)?
-greg
------------------------------------------------------------------------------
Transform Data into Opportunity.
Accelerate data analysis in your applications with
Intel Data Analytics Acceleration Library.
Click to learn more.
http://pubads.g.doubleclick.net/gampad/clk?id=278785111&iu=/4140
_______________________________________________
Rdkit-discuss mailing list
Rdkit-discuss@lists.sourceforge.net
https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
