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. |
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| 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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