Hi Patrick, labs I would take a look at (in no particular order and well, a bit heavy on European labs):
Irwin Lab, UCFS: https://profiles.ucsf.edu/john.irwin Bajorath Group, Bonn, Germany: https://www.limes-institut-bonn.de/forschung/arbeitsgruppen/unit-4/abteilung-bajorath/abt-bajorath-startseite/ Reymond Group, Bern, Switzerland: https://www.gdb.unibe.ch/ Rarey Group, Hamburg, Germany: https://www.zbh.uni-hamburg.de/personen/amd/mrarey.html Leach Team, Cambridge, UK: https://www.ebi.ac.uk/about/people/andrew-leach Czodrowski Lab, Dortmund, Germany: https://www.czodrowskilab.org/team Best, Markus On Mon, Jul 19, 2021 at 6:17 PM Patrick Neal <prnma...@gmail.com> wrote: > Hi All, > > I apologize if this is too far off topic, but I got a recommendation to > ask here since this community is the most likely to know! > > I'm about to graduate from my undergrad chemistry program and I'm looking > for graduate schools. I started in traditional computational chemistry > research, but have really loved the cheminformatics/datascience aspects of > drug discovery. I'm hoping to ask the community if you all have any > recommendations for academic labs (ideally US based) with interesting > cheminformatics research? > > I'm specifically interested in fingerprinting methods (encoding > 3D/conformational information), similarity search/clustering compounds at > scale, and automation tools for QM calculations. But, I would be grateful > to hear of any labs you think are doing great cheminformatics work! > > All the best, > > Patrick > _______________________________________________ > Rdkit-discuss mailing list > Rdkit-discuss@lists.sourceforge.net > https://lists.sourceforge.net/lists/listinfo/rdkit-discuss >
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