IPO: A tool for automated optimization of XCMS parameters

BMC Bioinformatics

Volumn 16, Issue 1, 2015, Pages

  Libiseller, Gunnar ^a   Dvorzak, Michaela ^a   Kleb, Ulrike ^a   Gander, Edgar ^a   Eisenberg, Tobias ^b   Madeo, Frank ^b,c   Neumann, Steffen ^d   Trausinger, Gert ^a   Sinner, Frank ^a,e   Pieber, Thomas ^a,e   Magnes, Christoph ^a  

^a JOANNEUM RESEARCH   (Austria)

^b UNIVERSITY OF GRAZ   (Austria)

^c BIOTECHMED GRAZ   (Austria)

^d LEIBNIZ INSTITUTE OF PLANT BIOCHEMISTRY   (Germany)

^e MEDICAL UNIVERSITY OF GRAZ   (Austria)

Author keywords

Design of experiments; Isotopologue; Metabolomics; Parameter optimization; XCMS

Indexed keywords

CHROMATOGRAPHIC ANALYSIS; CHROMATOGRAPHY; DESIGN OF EXPERIMENTS; LIQUID CHROMATOGRAPHY; LIQUIDS; MASS SPECTROMETRY; SOFTWARE PACKAGES; SPECTROMETRY;

AUTOMATED DATA PROCESSING; CHROMATOGRAPHIC METHODS; HIGH RESOLUTION MASS SPECTROMETRY; ISOTOPOLOGUES; LIQUID CHROMATOGRAPHY-HIGH RESOLUTION MASS SPECTROMETRIES; METABOLOMICS; PARAMETER OPTIMIZATION; XCMS;

DATA HANDLING;

CARBON; LIPID;

ALGORITHM; ANIMAL; COMPUTER LANGUAGE; COMPUTER PROGRAM; HEART; HUMAN; INFORMATION PROCESSING; LIQUID CHROMATOGRAPHY; LUNG; MASS SPECTROMETRY; METABOLISM; METABOLOMICS; MOUSE; MUSCLE; PHYSIOLOGY; PROCEDURES; REPRODUCIBILITY; SACCHAROMYCES CEREVISIAE; STANDARDS;

ALGORITHMS; ANIMALS; AUTOMATIC DATA PROCESSING; CARBON RADIOISOTOPES; CHROMATOGRAPHY, LIQUID; HEART; HUMANS; LIPIDS; LUNG; MASS SPECTROMETRY; METABOLOMICS; MICE; MUSCLES; PROGRAMMING LANGUAGES; REPRODUCIBILITY OF RESULTS; SACCHAROMYCES CEREVISIAE; SOFTWARE;

EID: 84928011252     PISSN: None     EISSN: 14712105     Source Type: Journal    
DOI: 10.1186/s12859-015-0562-8     Document Type: Article

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