Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-dimensional optimization.
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| Title: | Expediting hit-to-lead progression in drug discovery through reaction prediction and multi-dimensional optimization. |
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| Authors: | Nippa DF; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland., Atz K; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland., Stenzhorn Y; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland., Müller AT; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland., Tosstorff A; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland., Benz J; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland., Binch H; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland., Bürkler M; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland., Haider A; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland., Heer D; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland., Hochstrasser R; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland., Kramer C; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland., Reutlinger M; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland., Schneider P; ETH Zurich, Department of Biosystems Science and Engineering, CURE, Klingelbergstrasse 48, Basel, Switzerland., Shema T; Leiden University, Leiden Institute of Chemistry, Department of Molecular Physiology, Einsteinweg 55, CC, Leiden, The Netherlands., Topp A; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland., Walter A; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland., Wittwer MB; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland., Wolfard J; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland., Kuhn B; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland., van der Stelt M; Leiden University, Leiden Institute of Chemistry, Department of Molecular Physiology, Einsteinweg 55, CC, Leiden, The Netherlands., Martin RE; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland. rainer_e.martin@roche.com., Grether U; Roche Pharma Research and Early Development (pRED), Roche Innovation Center Basel, F. Hoffmann-La Roche Ltd., Grenzacherstrasse 124, Basel, Switzerland. uwe.grether@roche.com., Schneider G; ETH Zurich, Department of Biosystems Science and Engineering, CURE, Klingelbergstrasse 48, Basel, Switzerland. gisbert@ethz.ch. |
| Source: | Nature communications [Nat Commun] 2025 Nov 26; Vol. 16 (1), pp. 11646. Date of Electronic Publication: 2025 Nov 26. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Nature Pub. Group Country of Publication: England NLM ID: 101528555 Publication Model: Electronic Cited Medium: Internet ISSN: 2041-1723 (Electronic) Linking ISSN: 20411723 NLM ISO Abbreviation: Nat Commun Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
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