Quantifying per-match Reliability in Library Matching for Untargeted Metabolomics Workflows
Esteban Charria‐Girón, Jorick van IJcken, Larissa Della Vedova, Laura Rosina Torres Ortega, Justin J. J. van der Hooft
This paper introduces a method to assess the reliability of metabolite annotations in untargeted metabolomics by evaluating match reproducibility under spectral perturbation.
bioRxiv · Jul 30, 2026 · PreprintBiochemistry