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Biological and Medicinal Chemistry

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Theoretical and Computational Chemistry

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Mike Preuss

4 results in Authors: Mike Preuss

Theoretical and Computational Chemistry

AlphaFold meets de novo drug design: leveraging structural protein information in multi-target molecular generative models

Andrius Bernatavicius, Martin Šícho, Antonius Janssen, Alan Kai Hassen, Mike Preuss, Gerard van Westen

Version 2 posted 18 April 2024

1,114

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Theoretical and Computational Chemistry

Synthesis Planning in Reaction Space: A Study on Success, Robustness and Diversity

Alan Kai Hassen, Helen Lai, Samuel Genheden, Mike Preuss, Djork-Arné Clevert

Version 1 posted 30 June 2025

33

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Theoretical and Computational Chemistry

MULTI-OBJECTIVE SYNTHESIS PLANNING BY MEANS OF MONTE CARLO TREE SEARCH

Helen Lai, Christos Kannas, Alan Kai Hassen, Emma Rydholm, Annie Westerlund, Djork-Arné Clevert, Mike Preuss, Samuel Genheden

Version 2 posted 08 October 2024

477

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Theoretical and Computational Chemistry

Generate What You Can Make: Achieving in-house synthesizability with readily available resources in de novo drug design

Alan Kai Hassen, Martin Sicho, Yorick J. van Aalst, Mirjam C.W. Huizenga, Darcy N.R. Reynolds, Sohvi Luukkonen, Andrius Bernatavicius, Djork-Arné Clevert, Antonius P.A. Janssen, Gerard J.P. van Westen, Mike Preuss

Version 1 posted 05 March 2024

1,198

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3

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