Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning.
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| Title: | Enabling late-stage drug diversification by high-throughput experimentation with geometric deep learning. |
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| Authors: | Nippa DF; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland.; Department of Pharmacy, Ludwig-Maximilians-Universität München, Munich, Germany., Atz K; Department of Chemistry and Applied Biosciences, ETH Zurich, Zurich, Switzerland., Hohler R; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland., Müller AT; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland., Marx A; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland., Bartelmus C; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland., Wuitschik G; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland., Marzuoli I; Process Chemistry and Catalysis (PCC), F. Hoffmann-La Roche Ltd., Basel, Switzerland., Jost V; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland., Wolfard J; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland., Binder M; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland., Stepan AF; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland., Konrad DB; Department of Pharmacy, Ludwig-Maximilians-Universität München, Munich, Germany. david.konrad@cup.lmu.de., Grether U; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland. uwe.grether@roche.com., Martin RE; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Basel, Switzerland. rainer_e.martin@roche.com., Schneider G; Department of Chemistry and Applied Biosciences, ETH Zurich, Zurich, Switzerland. gisbert@ethz.ch.; ETH Singapore SEC Ltd, Singapore, Singapore. gisbert@ethz.ch. |
| Source: | Nature chemistry [Nat Chem] 2024 Feb; Vol. 16 (2), pp. 239-248. Date of Electronic Publication: 2023 Nov 23. |
| Publication Type: | Journal Article; Research Support, Non-U.S. Gov't |
| Journal Info: | Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101499734 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1755-4349 (Electronic) Linking ISSN: 17554330 NLM ISO Abbreviation: Nat Chem Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
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