Retention time alignment algorithms for LC/MS data must consider non-linear shifts | Zendy

Katharina Podwojski | Zendy; Arno Fritsch | Zendy; Daniel C. Chamrad | Zendy; Wolfgang J. Paul | Zendy; Barbara Sitek | Zendy; Kai Stühler | Zendy; Petra Mutzel | Zendy; Christoph Stephan | Zendy; Helmut E. Meyer | Zendy; Wolfgang Urfer | Zendy; Katja Ickstadt | Zendy; Jörg Rahnenführer | Zendy

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Retention time alignment algorithms for LC/MS data must consider non-linear shifts

Author(s) -

Katharina Podwojski,

Arno Fritsch,

Daniel C. Chamrad,

Wolfgang J. Paul,

Barbara Sitek,

Kai Stühler,

Petra Mutzel,

Christoph Stephan,

Helmut E. Meyer,

Wolfgang Urfer,

Katja Ickstadt,

Jörg Rahnenführer

Publication year - 2009

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/btp052

Subject(s) - preprocessor , computer science , algorithm , linear regression , linear model , computation , regression , mathematics , statistics , artificial intelligence , machine learning

Proteomics has particularly evolved to become of high interest for the field of biomarker discovery and drug development. Especially the combination of liquid chromatography and mass spectrometry (LC/MS) has proven to be a powerful technique for analyzing protein mixtures. Clinically orientated proteomic studies will have to compare hundreds of LC/MS runs at a time. In order to compare different runs, sophisticated preprocessing steps have to be performed. An important step is the retention time (rt) alignment of LC/MS runs. Especially non-linear shifts in the rt between pairs of LC/MS runs make this a crucial and non-trivial problem.

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