Re: [Rdkit-discuss] explicit H atoms
On Mon, Mar 8, 2021 at 11:17 AM Paul Emsley wrote: > On 08/03/2021 13:55, Jean-Marc Nuzillard wrote: > > > > Is it always possible to represent an organic molecule in 2D with all > necessary > > configuration hints (bond wedges pointing to the front or to the back) > > without introducing any explicit hydrogen atom? > > No. Testosterone. > Is that "not possible" or simply "against convention"? One could certainly imagine someone attempting to put the dashed and wedged designations on the ring bonds, and leaving the hydrogens implicit. (Flagrantly ignoring how much it would mess with steroid chemists' brains.) ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
Re: [Rdkit-discuss] explicit H atoms
On 08/03/2021 13:55, Jean-Marc Nuzillard wrote: Is it always possible to represent an organic molecule in 2D with all necessary configuration hints (bond wedges pointing to the front or to the back) without introducing any explicit hydrogen atom? No. Testosterone. ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
[Rdkit-discuss] explicit H atoms
Dear all, my question of the day is more general than directly related to RDKit but the link is indirect. Is it always possible to represent an organic molecule in 2D with all necessary configuration hints (bond wedges pointing to the front or to the back) without introducing any explicit hydrogen atom? May be my question is very naive, all my apologies in advance for that. Best, Jean-Marc -- Jean-Marc Nuzillard Directeur de Recherches au CNRS Institut de Chimie Moléculaire de Reims CNRS UMR 7312 Moulin de la Housse CPCBAI, Bâtiment 18 BP 1039 51687 REIMS Cedex 2 France Tel : 03 26 91 82 10 Fax : 03 26 91 31 66 http://www.univ-reims.fr/icmr http://eos.univ-reims.fr/LSD/CSNteam.html http://www.univ-reims.fr/LSD/ http://www.univ-reims.fr/LSD/JmnSoft/ ___ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
