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David Kreutter
David Kreutter
University of Bern
Preverjeni e-poštni naslov na unibe.ch
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Leto
Mapping the space of chemical reactions using attention-based neural networks
P Schwaller, D Probst, AC Vaucher, VH Nair, D Kreutter, T Laino, ...
Nature machine intelligence 3 (2), 144-152, 2021
2822021
Predicting Enzymatic Reactions with a Molecular Transformer
D Kreutter, P Schwaller, JL Reymond
Chemical Science 12 (25), 8648-8659, 2021
69*2021
Multistep retrosynthesis combining a disconnection aware triple transformer loop with a route penalty score guided tree search
D Kreutter, JL Reymond
152023
Chemoenzymatic Multistep Retrosynthesis with Transformer Loops
D Kreutter, JL Reymond
Chemical Science 15 (42), 18031-18047, 2024
2024
Data augmentation in a triple transformer loop retrosynthesis model
Y Grandjean, D Kreutter, JL Reymond
2024
Chemoenzymatic Multistep Retrosynthesis with Transformer Loops
D Kreutter, JL Reymond
2024
Reaction Transformers for Fingerprints, Classification and Atom-Mapping
P Schwaller, D Probst, B Hoover, A Vaucher, V Nair, D Kreutter, H Strobelt, ...
American Chemical Society (ACS) Fall Meeting, 2020
2020
Towards Sustainable Synthesis: Integrating Biocatalysis and Language Models in Computer-Aided Synthesis Planning
D Kreutter
Universität Bern, 0
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