@Article{duehrkop19sirius4,
  author    = {Kai D\"uhrkop and Markus Fleischauer and Marcus Ludwig and Alexander A. Aksenov and Alexey V. Melnik and Marvin Meusel and Pieter C. Dorrestein and Juho Rousu and Sebastian B\"ocker},
  title     = {{SIRIUS~4}: a rapid tool for turning tandem mass spectra into metabolite structure information},
  journal   = {Nat Methods},
  year      = {2019},
  volume    = {16},
  number    = {4},
  pages     = {299-302},
  abstract  = {Mass spectrometry is a predominant experimental technique in metabolomics and related fields, but metabolite structural elucidation remains highly challenging. We report SIRIUS 4 (https://bio.informatik.uni-jena.de/sirius/), which provides a fast computational approach for molecular structure identification. SIRIUS 4 integrates CSI:FingerID for searching in molecular structure databases. Using SIRIUS 4, we achieved identification rates of more than 70% on challenging metabolomics datasets.},
  doi       = {10.1038/s41592-019-0344-8},
  keywords  = {jena},
  owner     = {Sebastian},
  timestamp = {2019-03-18},
}

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