Concise: consensus annotation propagation of ion features in untargeted tandem mass spectrometry combining molecular networking and in silico metabolite structure prediction

HIGHLIGHTS

  • who: Zachary A. Quinlan and collaborators from the Scripps Institution of Oceanography, University of California San Diego, San Diego, CA, USA have published the research work: ConCISE: Consensus Annotation Propagation of Ion Features in Untargeted Tandem Mass Spectrometry Combining Molecular Networking and In Silico Metabolite Structure Prediction, in the Journal: Metabolites 2022, 12, 1275. of 29/Nov/2022
  • what: ConCISE is a unique annotation propagation tool as it provides cross-validation of in silico predicted structures with the derivation of consensus annotations along with a modular design which will be able to incorporate future structural . . .

     

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