Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy
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DOI: 10.1186/s13321-017-0219-x
Abstract: AbstractIn mass spectrometry-based untargeted metabolomics, rarely more than 30% of the compounds are identified. Without the true identity of these molecules it is impossible to draw conclusions about the biological mechanisms, pathway relationships and provenance… read more here.
Keywords: comprehensive comparison; comparison silico; fragmentation; silico fragmentation ... See more keywords