ChemDistiller: an engine for metabolite annotation in mass spectrometry | Zendy

Ivan Laponogov | Zendy; Noureddin Sadawi | Zendy; Dieter Galea | Zendy; Reza Mirnezami | Zendy; Kirill Veselkov | Zendy

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ChemDistiller: an engine for metabolite annotation in mass spectrometry

Author(s) -

Ivan Laponogov,

Noureddin Sadawi,

Dieter Galea,

Reza Mirnezami,

Kirill Veselkov

Publication year - 2018

Publication title -

bioinformatics

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.599

H-Index - 390

eISSN - 1367-4811

pISSN - 1367-4803

DOI - 10.1093/bioinformatics/bty080

Subject(s) - computer science , annotation , scalability , software , tandem mass spectrometry , field (mathematics) , source code , data mining , database , mass spectrometry , chemistry , operating system , artificial intelligence , chromatography , mathematics , pure mathematics

High-resolution mass spectrometry permits simultaneous detection of thousands of different metabolites in biological samples; however, their automated annotation still presents a challenge due to the limited number of tailored computational solutions freely available to the scientific community.

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