@Article{broeckling_et_al:DagRep.12.5.1,
  author =	{Broeckling, Corey and Ebbels, Timothy and Math\'{e}, Ewy and Zamboni, Nicola and Wieder, Cecilia},
  title =	{{Computational Metabolomics: From Spectra to Knowledge (Dagstuhl Seminar 22181)}},
  pages =	{1--16},
  journal =	{Dagstuhl Reports},
  ISSN =	{2192-5283},
  year =	{2022},
  volume =	{12},
  number =	{5},
  editor =	{Broeckling, Corey and Ebbels, Timothy and Math\'{e}, Ewy and Zamboni, Nicola and Wieder, Cecilia},
  publisher =	{Schloss Dagstuhl -- Leibniz-Zentrum f{\"u}r Informatik},
  address =	{Dagstuhl, Germany},
  URL =		{https://drops.dagstuhl.de/entities/document/10.4230/DagRep.12.5.1},
  URN =		{urn:nbn:de:0030-drops-174410},
  doi =		{10.4230/DagRep.12.5.1},
  annote =	{Keywords: bioinformatics, cheminformatics, computational mass spectrometry, metabolite identification, computational metabolomics, machine learning, data integration, pathway analysis}
}