2026-05-13 カリフォルニア大学サンディエゴ校（UCSD）
A new web tool allows scientists to search for small molecules of interest across a vast repository of public metabolomics data in seconds. Photo Credit: Adobe Firefly/UC San Diego Health Sciences
＜関連情報＞
- https://today.ucsd.edu/story/from-molecules-to-meaning-a-search-engine-for-the-chemistry-of-life
- https://www.nature.com/articles/s41587-026-03082-8
構造中心の検索により、公共のメタボロームのグローバルマッピングが可能になります Structure-centric searching enables global mapping of the public metabolome
Yasin El Abiead,Jeong In Seo,Vincent Charron-Lamoureux,Michael Strobel,Wilhan Donizete Gonçalves Nunes,Haoqi Nina Zhao,Kine Eide Kvitne,Simone Zuffa,Helena Mannochio-Russo,Harsha Gouda,Cristina Bez,Abubaker Patan,Shipei Xing,Jasmine Zemlin,Ipsita Mohany,Julius Agongo,Andres Mauricio Caraballo Rodriguez,Lindsey A. Burnett,Victoria Deleray,Abzer K. Pakkir Shah,Jarmo-Charles Kalinski,Daniel Petras,Nikiforos Alygizakis,Jeremy Carver,… Pieter C. Dorrestein
Nature Biotechnology Published:15 April 2026
DOI:https://doi.org/10.1038/s41587-026-03082-8
Abstract
Searching and learning from aggregated public metabolomics data spanning thousands of studies remained largely inaccessible. Here we present StructureMASST, a web-based application enabling scalable, structure-centric searches across public metabolomics repositories using molecule names or chemical representations. It queries a precomputed knowledgebase of 2.19 billion spectral matches and 420 million metadata links, supports modification-tolerant and mass-shift searches, and maps chemical structures across taxonomy, biological context and environmental conditions to accelerate discovery.
