Hello Brian, On Fri, 25 Sep 2020 05:19:14 +0000 "Bennion, Brian via Rdkit-discuss" <rdkit-discuss@lists.sourceforge.net> wrote:
> I have a paper in review and is intended for a large audience that has > synthetic chemists, biologist and comp chem. > One reviewer had issues with the term in-silico syntheses. > I used rdkit and smarts reactions to generate large libraries of compounds > for our research project. Is there a better term to use? I feel "chemical > enumeration" is just as foreign. It seems there is no nomenclature for this. I agree with Greg that is silico synthesis is nice wording. However it is commonly used, yet. I this our job to popularize this term :) In our recent paper https://science.sciencemag.org/content/369/6511/eaaw1955.full we use terms: 1. computer-assisted organic synthesis 2. computer-generated reaction networks 3. computer-predicted synthesis 4. computer-designed plan I think computer-predicted/computer-proposed reaction/compounds/paths should be undertandable for broad audience. Best, Rafal _______________________________________________ Rdkit-discuss mailing list Rdkit-discuss@lists.sourceforge.net https://lists.sourceforge.net/lists/listinfo/rdkit-discuss
