@Article{ebbels_et_al:DagRep.14.4.124, author = {Ebbels, Timothy M. D. and Hassoun, Soha and Math\'{e}, Ewy A. and van der Hooft, Justin J. J. and Chatelaine, Haley}, title = {{Computational Metabolomics: Towards Molecules, Models, and their Meaning (Dagstuhl Seminar 24181)}}, pages = {124--141}, journal = {Dagstuhl Reports}, ISSN = {2192-5283}, year = {2024}, volume = {14}, number = {4}, editor = {Ebbels, Timothy M. D. and Hassoun, Soha and Math\'{e}, Ewy A. and van der Hooft, Justin J. J. and Chatelaine, Haley}, publisher = {Schloss Dagstuhl -- Leibniz-Zentrum f{\"u}r Informatik}, address = {Dagstuhl, Germany}, URL = {https://drops.dagstuhl.de/entities/document/10.4230/DagRep.14.4.124}, URN = {urn:nbn:de:0030-drops-213492}, doi = {10.4230/DagRep.14.4.124}, annote = {Keywords: bioinformatics, cheminformatics, data integration, machine learning, mass spectrometry, metabolite identification, metabolomics, pathway analysis, repository-scale analysis, training and education} }