On 21/07/2021 03:00, Patrick Walters wrote:
If you're looking for a more ML oriented program. I'd recommend David
Koes group at Pitt.
https://www.csb.pitt.edu/people/faculty/david-koes/
Jacob Durrant is also doing interesting work in another department at
Pitt
https://durrantlab.pitt.edu/people/
Maybe also Geoffrey Hutchison's group
https://hutchison.chem.pitt.edu/
On Tue, Jul 20, 2021 at 2:47 AM Stiefl, Nikolaus
<nikolaus.sti...@novartis.com> wrote:
Hi Patrick,
Sorry yet another non US-based lab but I will still throw in Sereina
Riniker’s group (Riniker, Sereina, Prof. Dr. | ETH Zurich [2]) who
recently attracted quite some talent ;-)
Ciao
Nik
From: Markus Sitzmann <markus.sitzm...@gmail.com>
Sent: Monday, July 19, 2021 10:34 PM
To: RDKit Discuss <rdkit-discuss@lists.sourceforge.net>
Subject: Re: [Rdkit-discuss] Cheminformatics Graduate School
Recommendations?
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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 [3]
Bajorath Group, Bonn, Germany:
https://www.limes-institut-bonn.de/forschung/arbeitsgruppen/unit-4/abteilung-bajorath/abt-bajorath-startseite/
[4]
Reymond Group, Bern, Switzerland: https://www.gdb.unibe.ch/ [5]
Rarey Group, Hamburg, Germany:
https://www.zbh.uni-hamburg.de/personen/amd/mrarey.html [6]
Leach Team, Cambridge, UK:
https://www.ebi.ac.uk/about/people/andrew-leach [7]
Czodrowski Lab, Dortmund, Germany:
https://www.czodrowskilab.org/team [8]
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
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