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February 8, 2024Open Access

Molecular structure discovery for untargeted metabolomics using biotransformation rules and global molecular networking

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Authors

MMMargaret R. MartinWBWout BittremieuxSHSoha Hassoun

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Cite This Study

Martin et al. (2024) studied this question.

synapsesocial.com/papers/68e7b92eb6db64358770f1d8https://doi.org/10.1101/2024.02.04.578795
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Also Consider

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  1. 1Reverse Biotransformation-Guided Annotation of Untargeted MS/MS Features: A Computational Framework for Candidate Enzyme and Gene Hypothesis Generation2026
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  3. 3Transformation-Aware Molecular Networking for Interpretation of Untargeted LC–HRMS Data2026
  4. 4MolNetInvert: A Tool for Creating Metadata Based Molecular Networks and Their Applications in Large Microbial Datasets2024 · 2 citations
  5. 5Knowledge and data-driven two-layer networking for accurate metabolite annotation in untargeted metabolomics2025 · 11 citations