Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy

In 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 of compounds. The only way at present to a...

Disgrifiad llawn

Wedi'i Gadw mewn:
Manylion Llyfryddiaeth
Cyhoeddwyd yn:J Cheminform
Prif Awduron: Blaženović, Ivana, Kind, Tobias, Torbašinović, Hrvoje, Obrenović, Slobodan, Mehta, Sajjan S., Tsugawa, Hiroshi, Wermuth, Tobias, Schauer, Nicolas, Jahn, Martina, Biedendieck, Rebekka, Jahn, Dieter, Fiehn, Oliver
Fformat: Artigo
Iaith:Inglês
Cyhoeddwyd: Springer International Publishing 2017
Pynciau:
Research Article
Mynediad Ar-lein:https://ncbi.nlm.nih.gov/pmc/articles/PMC5445034/
https://ncbi.nlm.nih.gov/pubmed/29086039
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-017-0219-x
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