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FLOWR.ROOT - A flow matching-based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity prediction.

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Title: FLOWR.ROOT - A flow matching-based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity prediction.
Authors: Cremer J; Machine Learning & Computational Sciences, Pfizer Worldwide R&D, Berlin, Germany. jn.cremer@icloud.com., Le T; Machine Learning & Computational Sciences, Pfizer Worldwide R&D, Berlin, Germany., Ghahremanpour MM; Computational Chemistry, Medicine Design, Pfizer Worldwide R&D, Cambridge, MA, USA., Sługocka E; Doctoral School of Medical and Health Sciences, Jagiellonian University Medical College, Cracow, Poland.; Department of Physicochemical Drug Analysis, Faculty of Pharmacy, Jagiellonian University Medical College, Cracow, Poland., Menezes F; Institute of Structural Biology, Molecular Targets and Therapeutics Center, Helmholtz Munich, Neuherberg, Germany. filipe.menezes@helmholtz-munich.de.; TUM School of Natural Sciences, Department of Bioscience, Bayerisches NMR Zentrum, Technical University of Munich, Garching, Germany. filipe.menezes@helmholtz-munich.de., Clevert DA; Machine Learning & Computational Sciences, Pfizer Worldwide R&D, Berlin, Germany.
Source: Nature communications [Nat Commun] 2026 Jul 06; Vol. 17 (1). Date of Electronic Publication: 2026 Jul 06.
Publication Type: Journal Article; Research Support, Non-U.S. Gov't
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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  Data: <searchLink fieldCode="AU" term="%22Cremer+J%22">Cremer J</searchLink>; Machine Learning & Computational Sciences, Pfizer Worldwide R&D, Berlin, Germany. jn.cremer@icloud.com.<br /><searchLink fieldCode="AU" term="%22Le+T%22">Le T</searchLink>; Machine Learning & Computational Sciences, Pfizer Worldwide R&D, Berlin, Germany.<br /><searchLink fieldCode="AU" term="%22Ghahremanpour+MM%22">Ghahremanpour MM</searchLink>; Computational Chemistry, Medicine Design, Pfizer Worldwide R&D, Cambridge, MA, USA.<br /><searchLink fieldCode="AU" term="%22Sługocka+E%22">Sługocka E</searchLink>; Doctoral School of Medical and Health Sciences, Jagiellonian University Medical College, Cracow, Poland.; Department of Physicochemical Drug Analysis, Faculty of Pharmacy, Jagiellonian University Medical College, Cracow, Poland.<br /><searchLink fieldCode="AU" term="%22Menezes+F%22">Menezes F</searchLink>; Institute of Structural Biology, Molecular Targets and Therapeutics Center, Helmholtz Munich, Neuherberg, Germany. filipe.menezes@helmholtz-munich.de.; TUM School of Natural Sciences, Department of Bioscience, Bayerisches NMR Zentrum, Technical University of Munich, Garching, Germany. filipe.menezes@helmholtz-munich.de.<br /><searchLink fieldCode="AU" term="%22Clevert+DA%22">Clevert DA</searchLink>; Machine Learning & Computational Sciences, Pfizer Worldwide R&D, Berlin, Germany.
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  Data: <searchLink fieldCode="JN" term="%22101528555%22">Nature communications</searchLink> [Nat Commun] 2026 Jul 06; Vol. 17 (1). <i>Date of Electronic Publication: </i>2026 Jul 06.
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