Marwin Segler
8PUBLICATIONS
49CO-AUTHORS
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Publications (8)
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|Apr 28, 2025
Challenging Reaction Prediction Models to Generalize to Novel Chemistry.John Bradshaw, Anji Zhang, Babak Mahjour
|Nov 01, 2024
Re-evaluating retrosynthesis algorithms with Syntheseus.Krzysztof Maziarz, Austin Tripp, Guoqing Liu
|Jul 24, 2023
PREFER: A New Predictive Modeling Framework for Molecular Discovery.Jessica Lanini, Gianluca Santarossa, Finton Sirockin
|Apr 22, 2022
RetroGNN: Fast Estimation of Synthesizability for Virtual Screening and De Novo Design by Learning from Slow Retrosynthesis Software.Cheng-Hao Liu, Maksym Korablyov, Stanisław Jastrzębski
|Jan 17, 2022
Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield Networks.Philipp Seidl, Philipp Renz, Natalia Dyubankova
|Jul 17, 2020
Machine learning the ropes: principles, applications and directions in synthetic chemistry.Felix Strieth-Kalthoff, Frederik Sandfort, Marwin H S Segler
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Frequent Collaborators
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Travers Ching
1 joint publications
Daniel S Himmelstein
1 joint publications
Brett K Beaulieu-Jones
1 joint publications
Alexandr A Kalinin
1 joint publications
Brian T Do
1 joint publications
Gregory P Way
1 joint publications
Enrico Ferrero
1 joint publications
Paul-Michael Agapow
1 joint publications
Michael Zietz
1 joint publications
Michael M Hoffman
