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Analytical Chemistry|July 13, 2026
SpecTUS: Spectral Translator for Unknown Structures Annotation from EI-MS SpectraAdam Hájek, Michal Starý, Elliott Price, et al.
Gigabyte (Hong Kong, China)|July 15, 2025
Galaxy QCxMS for straightforward semi-empirical quantum mechanical EI-MS predictionWudmir Y Rojas, Zargham Ahmad, Julia Jakiela, et al.
Analytical Chemistry|August 7, 2024
Quantum Chemistry-Based Prediction of Electron Ionization Mass Spectra for Environmental ChemicalsHelge Hecht, Wudmir Y Rojas, Zargham Ahmad, et al.
Journal of Cheminformatics|July 29, 2024
Reproducible MS/MS library cleaning pipeline in matchmsNiek F de Jonge, Helge Hecht, Michael Strobel, et al.
Bioinformatics (Oxford, England)|April 24, 2024
DIMet: an open-source tool for differential analysis of targeted isotope-labeled metabolomics dataJohanna Galvis, Joris Guyon, Benjamin Dartigues, et al.
Toxicological Sciences : an Official Journal of the Society of Toxicology|July 30, 2026
Towards Bayesian-based quantitative adverse outcome pathways using in vitro data from open literature and continuous variables: a case example for liver fibrosisRobin Durnik, Tereza Juchelkova, Helge Hecht, et al.
Plos Computational Biology|February 17, 2026
Ten common misconceptions about Galaxy (and why they are wrong!)Wendi Anne Bacon, Bérénice Batut, Sanjay Kumar Srikakulam, et al.
Environmental Science & Technology|April 19, 2024
Adopting Mechanistic Molecular Biology Approaches in Exposome Research for Causal UnderstandingAmy L Foreman, Benedikt Warth, Ellen V S Hessel, et al.
Current Protocols|February 14, 2025
Workflow4Metabolomics (W4M): A User-Friendly Metabolomics Platform for Analysis of Mass Spectrometry and Nuclear Magnetic Resonance DataCédric Delporte, Marie Tremblay-Franco, Yann Guitton, et al.
Analytical Chemistry|November 8, 2024
The Proteomics Standards Initiative Standardized Formats for Spectral Libraries and Fragment Ion Peak Annotations: mzSpecLib and mzPAFJoshua Klein, Henry Lam, Tytus D Mak, et al.
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