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Structure-centric searching enables global mapping of the public metabolome.

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Title: Structure-centric searching enables global mapping of the public metabolome.
Authors: El Abiead Y; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA. elabiead@gmail.com.; Institute of Analytical Chemistry, Department of Natural Sciences and Sustainable Resources, BOKU University, Vienna, Austria. elabiead@gmail.com., Seo JI; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., Charron-Lamoureux V; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., Strobel M; Department of Computer Science and Engineering, University of California Riverside, Riverside, CA, USA., Gonçalves Nunes WD; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., Zhao HN; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., Kvitne KE; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., Zuffa S; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., Mannochio-Russo H; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., Gouda H; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., Bez C; International Center for Genetic Engineering and Biotechnology, Trieste, Italy., Patan A; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., Xing S; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., Zemlin J; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., Mohany I; Department of Veterinary and Biomedical Sciences, The Pennsylvania State University, University Park, PA, USA.; Department of Nutritional Sciences, The Pennsylvania State University, University Park, PA, USA., Agongo J; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., Caraballo Rodriguez AM; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA.; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA., Burnett LA; Department of Obstetrics, Gynecology, and Reproductive Sciences, University of California San Diego, La Jolla, CA, USA., Deleray V; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., Pakkir Shah AK; Interfaculty Institute of Microbiology and Infection Medicine, University of Tuebingen, Tuebingen, Germany., Kalinski JC; Biotechnology Innovation Centre, Rhodes University, Makhanda, South Africa., Petras D; Department of Biochemistry, University of California Riverside, Riverside, CA, USA., Alygizakis N; Environmental Institute, Koš, Slovak Republic., Carver J; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA., Yurekten O; European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Cambridge, UK., Payne T; European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Cambridge, UK., Fahy E; Department of Bioengineering, San Diego Supercomputer Center, University of California San Diego, La Jolla, CA, USA., Subramaniam S; Department of Bioengineering, San Diego Supercomputer Center, University of California San Diego, La Jolla, CA, USA., Vizcaíno JA; European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Cambridge, UK., Wang M; Department of Computer Science and Engineering, University of California Riverside, Riverside, CA, USA. mingxun.wang@cs.ucr.edu., Dorrestein PC; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA. pdorrestein@health.ucsd.edu.; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA. pdorrestein@health.ucsd.edu.; Department of Pharmacology, University of California San Diego, La Jolla, CA, USA. pdorrestein@health.ucsd.edu.; Center for Microbiome Innovation, University of California San Diego, La Jolla, CA, USA. pdorrestein@health.ucsd.edu.
Source: Nature biotechnology [Nat Biotechnol] 2026 Apr 15. Date of Electronic Publication: 2026 Apr 15.
Publication Type: Journal Article
Journal Info: Publisher: Nature America Publishing Country of Publication: United States NLM ID: 9604648 Publication Model: Print-Electronic Cited Medium: Internet ISSN: 1546-1696 (Electronic) Linking ISSN: 10870156 NLM ISO Abbreviation: Nat Biotechnol Subsets: MEDLINE
Database: MEDLINE Ultimate
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  Data: <searchLink fieldCode="AU" term="%22El+Abiead+Y%22">El Abiead Y</searchLink>; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA. elabiead@gmail.com.; Institute of Analytical Chemistry, Department of Natural Sciences and Sustainable Resources, BOKU University, Vienna, Austria. elabiead@gmail.com.<br /><searchLink fieldCode="AU" term="%22Seo+JI%22">Seo JI</searchLink>; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA.<br /><searchLink fieldCode="AU" term="%22Charron-Lamoureux+V%22">Charron-Lamoureux V</searchLink>; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA.<br /><searchLink fieldCode="AU" term="%22Strobel+M%22">Strobel M</searchLink>; Department of Computer Science and Engineering, University of California Riverside, Riverside, CA, USA.<br /><searchLink fieldCode="AU" term="%22Gonçalves+Nunes+WD%22">Gonçalves Nunes WD</searchLink>; 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Department of Bioengineering, San Diego Supercomputer Center, University of California San Diego, La Jolla, CA, USA.<br /><searchLink fieldCode="AU" term="%22Subramaniam+S%22">Subramaniam S</searchLink>; Department of Bioengineering, San Diego Supercomputer Center, University of California San Diego, La Jolla, CA, USA.<br /><searchLink fieldCode="AU" term="%22Vizcaíno+JA%22">Vizcaíno JA</searchLink>; European Molecular Biology Laboratory, European Bioinformatics Institute (EMBL-EBI), Wellcome Genome Campus, Cambridge, UK.<br /><searchLink fieldCode="AU" term="%22Wang+M%22">Wang M</searchLink>; Department of Computer Science and Engineering, University of California Riverside, Riverside, CA, USA. mingxun.wang@cs.ucr.edu.<br /><searchLink fieldCode="AU" term="%22Dorrestein+PC%22">Dorrestein PC</searchLink>; Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, San Diego, CA, USA. pdorrestein@health.ucsd.edu.; Collaborative Mass Spectrometry Innovation Center, Skaggs School of Pharmacy and Pharmaceutical Sciences, University of California San Diego, La Jolla, CA, USA. pdorrestein@health.ucsd.edu.; Department of Pharmacology, University of California San Diego, La Jolla, CA, USA. pdorrestein@health.ucsd.edu.; Center for Microbiome Innovation, University of California San Diego, La Jolla, CA, USA. pdorrestein@health.ucsd.edu.
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