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  • (-) Organizational Unit = Environmental Chemistry UCHEM
  • (-) Publication Year = 2006 - 2018
  • (-) Keywords ≠ micropollutants
  • (-) Journal = Journal of Cheminformatics
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Nontargeted homologue series extraction from hyphenated high resolution mass spectrometry data
Loos, M., & Singer, H. (2017). Nontargeted homologue series extraction from hyphenated high resolution mass spectrometry data. Journal of Cheminformatics, 9(1), 12 (11 pp.). https://doi.org/10.1186/s13321-017-0197-z
Critical assessment of small molecule identification 2016: automated methods
Schymanski, E. L., Ruttkies, C., Krauss, M., Brouard, C., Kind, T., Dührkop, K., … Neumann, S. (2017). Critical assessment of small molecule identification 2016: automated methods. Journal of Cheminformatics, 9, 1-21. https://doi.org/10.1186/s13321-017-0207-1
MetFrag relaunched: incorporating strategies beyond <I>in silico</I> fragmentation
Ruttkies, C., Schymanski, E. L., Wolf, S., Hollender, J., & Neumann, S. (2016). MetFrag relaunched: incorporating strategies beyond in silico fragmentation. Journal of Cheminformatics, 8, 3 (16 pp.). https://doi.org/10.1186/s13321-016-0115-9