Predicting Enantioselectivity of Ruthenium-Catalyzed Ketone Hydrogenation with 3D Structure-Based Deep Learning
N
Nicholas Hadler
(Department of Chemistry)
E
Evelyn Ramirez
(Department of Chemistry)
M
Matthew Avaylon
(Scientific Data Division)
M
Masha Elkin
(Department of Chemistry)
N
N. Ian Rinehart
(Department of Chemistry)
M
Michael W. Mahoney
(Scientific Data Division)
G
Gunther H. Weber
(Scientific Data Division)
J
Joscha Hoche
(Merck KGaA, Frankfurter Strasse 250, Darmstadt, 64293, Germany)
J
Jan Gerit Brandenburg
(Merck KGaA, Frankfurter Strasse 250, Darmstadt, 64293, Germany)
T
Talita Perciano
(Scientific Data Division)
J
John F. Hartwig
(Department of Chemistry)
Article Details
Volume / Issue
Vol. 1, Issue 1
Published
July 23, 2026
ISSN
0002-7863
Publisher
American Chemical Society
Journal Info
Journal of the American Chemical Society
American Chemical Society
ISSN: 0002-7863 Physical Sciences
Authors (11)
N
Nicholas Hadler
Department of Chemistry
E
Evelyn Ramirez
Department of Chemistry
M
Matthew Avaylon
Scientific Data Division
M
Masha Elkin
Department of Chemistry
N
N. Ian Rinehart
Department of Chemistry
M
Michael W. Mahoney
Scientific Data Division
G
Gunther H. Weber
Scientific Data Division
J
Joscha Hoche
Merck KGaA, Frankfurter Strasse 250, Darmstadt, 64293, Germany
J
Jan Gerit Brandenburg
Merck KGaA, Frankfurter Strasse 250, Darmstadt, 64293, Germany
T
Talita Perciano
Scientific Data Division
J
John F. Hartwig
Department of Chemistry
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