ArticleNature biotechnology2024
Fast mass spectrometry search and clustering of untargeted metabolomics data.
Article in Nature biotechnology, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 19 papers.
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The trial behind it
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Who cites it
19 citing papers in PubMed.
- Computational metabolomics at scale: from open data to insight.Current opinion in biotechnology · 2026Review
- Ordering molecular diversity in untargeted metabolomics via molecular community networking.Cell reports methods · 2026Article
- Trends in Computational Metabolomics: A Perspective on Five Years of Software Development, Challenges, and Opportunities (2021-2025).Analytical chemistry · 2026Review
- Large-scale discovery and annotation of substructure patterns in mass spectrometry profiles.Nature communications · 2026Article
- Exploring Acylcarnitine Metabolism Using Reverse Metabolomics.Analytical chemistry · 2026Article
- Metabotherapy for intestinal disease: using metabolites to prevent and treat disorders of the gut.Nature reviews. Gastroenterology & hepatology · 2026Review
- Alkamines reveal a hidden layer of steroid and drug metabolism.bioRxiv : the preprint server for biology · 2026Article
- Structure-centric searching enables global mapping of the public metabolome.Nature biotechnology · 2026Article
- A versatile toolkit for drug metabolism studies with GNPS2: from drug development to clinical monitoring.Nature protocols · 2026Review
- Self-supervised learning of molecular representations from millions of tandem mass spectra using DreaMS.Nature biotechnology · 2026Article
- Navigating the conjugated metabolome.bioRxiv : the preprint server for biology · 2026Article
- Review
- A resource to empirically establish drug exposure records directly from untargeted metabolomics data.Nature communications · 2025Article
- A guide to reverse metabolomics-a framework for big data discovery strategy.Nature protocols · 2025Review
- Synthetic Biology in Natural Product Biosynthesis.Chemical reviews · 2025Review
- Discovering organic reactions with a machine-learning-powered deciphering of tera-scale mass spectrometry data.Nature communications · 2025Article
- SimMS: a GPU-accelerated cosine similarity implementation for tandem mass spectrometry.Bioinformatics (Oxford, England) · 2025Article
- Computational metabolomics reveals overlooked chemodiversity of alkaloid scaffolds in Piper fimbriulatum.The Plant journal : for cell and molecular biology · 2025Article
- Perspectives in computational mass spectrometry: recent developments and key challenges.Bioinformatics advances · 2025Article
Corrections and comments
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Authors and funding
10 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The throughput of mass spectrometers and the amount of publicly available metabolomics data are growing rapidly, but analysis tools such as molecular networking and Mass Spectrometry Search Tool do not scale to searching and clustering billions of mass spectral data in metabolomics repositories. To address this limitation, we designed MASST+ and Networking+, which can process datasets that are up to three orders of magnitude larger than those processed by state-of-the-art tools.
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Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.