Probabilistic assignment of formulas to mass peaks in metabolomics experiments | Zendy

Simon Rogers | Zendy; Richard A. Scheltema | Zendy; Mark Girolami | Zendy; Rainer Breitling | Zendy

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Probabilistic assignment of formulas to mass peaks in metabolomics experiments

Author(s) -

Simon Rogers,

Richard A. Scheltema,

Mark Girolami,

Rainer Breitling

Publication year - 2008

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/btn642

Subject(s) - metabolomics , inference , computer science , identification (biology) , mass spectrometry , probabilistic logic , matlab , throughput , data mining , statistical inference , sample (material) , algorithm , mathematics , chemistry , statistics , artificial intelligence , chromatography , biology , telecommunications , botany , wireless , operating system

High-accuracy mass spectrometry is a popular technology for high-throughput measurements of cellular metabolites (metabolomics). One of the major challenges is the correct identification of the observed mass peaks, including the assignment of their empirical formula, based on the measured mass.

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