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FLOWR: flow matching for structure-aware de novo, interaction- and fragment-based ligand generation.

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Title: FLOWR: flow matching for structure-aware de novo, interaction- and fragment-based ligand generation.
Authors: Cremer J; Machine Learning and Computational Sciences, Pfizer Worldwide R&D, Berlin, Germany. julian.cremer@pfizer.com., Irwin R; Molecular AI, Discovery Sciences, R&D, AstraZeneca, Gothenburg, Sweden. rossir@chalmers.se.; Department of Computer Science and Engineering, Chalmers University of Technology and University of Gothenburg, Gothenburg, Sweden. rossir@chalmers.se., Tibo A; Molecular AI, Discovery Sciences, R&D, AstraZeneca, Gothenburg, Sweden., Janet JP; Molecular AI, Discovery Sciences, R&D, AstraZeneca, Gothenburg, Sweden., Olsson S; Department of Computer Science and Engineering, Chalmers University of Technology and University of Gothenburg, Gothenburg, Sweden., Clevert DA; Machine Learning and Computational Sciences, Pfizer Worldwide R&D, Berlin, Germany.
Source: Nature computational science [Nat Comput Sci] 2026 Jun; Vol. 6 (6), pp. 565-574. Date of Electronic Publication: 2026 May 28.
Publication Type: Journal Article
Journal Info: Publisher: Springer Nature Country of Publication: United States NLM ID: 101775476 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 2662-8457 (Electronic) Linking ISSN: 26628457 NLM ISO Abbreviation: Nat Comput Sci Subsets: MEDLINE; PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22Cremer+J%22">Cremer J</searchLink>; Machine Learning and Computational Sciences, Pfizer Worldwide R&D, Berlin, Germany. julian.cremer@pfizer.com.<br /><searchLink fieldCode="AU" term="%22Irwin+R%22">Irwin R</searchLink>; Molecular AI, Discovery Sciences, R&D, AstraZeneca, Gothenburg, Sweden. rossir@chalmers.se.; Department of Computer Science and Engineering, Chalmers University of Technology and University of Gothenburg, Gothenburg, Sweden. rossir@chalmers.se.<br /><searchLink fieldCode="AU" term="%22Tibo+A%22">Tibo A</searchLink>; Molecular AI, Discovery Sciences, R&D, AstraZeneca, Gothenburg, Sweden.<br /><searchLink fieldCode="AU" term="%22Janet+JP%22">Janet JP</searchLink>; Molecular AI, Discovery Sciences, R&D, AstraZeneca, Gothenburg, Sweden.<br /><searchLink fieldCode="AU" term="%22Olsson+S%22">Olsson S</searchLink>; Department of Computer Science and Engineering, Chalmers University of Technology and University of Gothenburg, Gothenburg, Sweden.<br /><searchLink fieldCode="AU" term="%22Clevert+DA%22">Clevert DA</searchLink>; Machine Learning and Computational Sciences, Pfizer Worldwide R&D, Berlin, Germany.
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  Data: <searchLink fieldCode="JN" term="%22101775476%22">Nature computational science</searchLink> [Nat Comput Sci] 2026 Jun; Vol. 6 (6), pp. 565-574. <i>Date of Electronic Publication: </i>2026 May 28.
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  Data: <i>Publisher: </i><searchLink fieldCode="PB" term="%22Springer+Nature%22">Springer Nature </searchLink><i>Country of Publication: </i>United States <i>NLM ID: </i>101775476 <i>Publication Model: </i>Print-Electronic <i>Cited Medium: </i>Internet <i>ISSN: </i>2662-8457 (Electronic) <i>Linking ISSN: </i><searchLink fieldCode="IS" term="%2226628457%22">26628457 </searchLink><i>NLM ISO Abbreviation: </i>Nat Comput Sci <i>Subsets: </i>MEDLINE; PubMed not MEDLINE
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        Value: 10.1038/s43588-026-00998-8
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              Text: 2026 Jun
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