Re: [Rdkit-discuss] explicit H atoms

2021-03-08 Thread Rocco Moretti
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

Re: [Rdkit-discuss] explicit H atoms

2021-03-08 Thread Paul Emsley
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] explicit H atoms

2021-03-08 Thread Jean-Marc Nuzillard
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