Bioinformatics Tools for Mass Spectroscopy-Based Metabolomic Data Processing and Analysis.
Citations
606 citations
Cites background from "Bioinformatics Tools for Mass Spect..."
...Since metabolomics deals with large and highly complex datasets [19] here, we deliver what we would like to consider an introductory and essential explanation targeted, in some degree, toward researchers working in the exciting field of metabolomics, as well as others working with large and highly complex datasets (e....
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402 citations
Cites methods from "Bioinformatics Tools for Mass Spect..."
...The metabolic profile of raw data generated by the spectrometric analysis of biological samples can be analyzed in several steps (119, 120)....
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...There are a large number of supervised methods (120, 127), with the most commonly used analysis for comparing 2 groups being partial least-squares discriminant analysis (PLS-DA) (132) or one of its several variants....
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397 citations
217 citations
References
83,420 citations
"Bioinformatics Tools for Mass Spect..." refers methods in this paper
...The FDR method [122], is commonly used in gene expression analyses, and is now also used in metabolomic studies, [11], where a large number of variables are analyzed simultaneously, and thus multiple comparisons are conducted....
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79,257 citations
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10,791 citations
"Bioinformatics Tools for Mass Spect..." refers background in this paper
...Although this example was not a metabolomics application, a particularly successful example of HCL involved the clustering of gene expression in breast cancer, which suggested the existence of a new subtype of breast cancer in addition to the known classes [150]....
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3,963 citations
"Bioinformatics Tools for Mass Spect..." refers background or methods in this paper
...A comparison of peak detection algorithms of LC-MS data using centWave [68], matched filter implemented in XCMS [53] and MZmine [56] showed that there was only a partial overlap in the results obtained with these methods, and a number of peaks were only detected by one software (not overlapped) [68]....
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...[158] Benton HP, Wong DM, Trauger SA, Siuzdak G. XCMS2: processing tandem mass spectrometry data for metabolite identification and structural characterization....
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...Evaluation of the alignment of LC-MS data using six freely available software packages, including XCMS [53], MZmine [56], msInspect [103] and OpenMS [55], concluded that no single software perfectly aligned the datasets [104]....
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...detection and peak alignment [53] Free R language *)...
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...Typical data processing flow for MS data has been previously reviewed by Katajamaa and Ore i [34], and is now implemented in a variety of software packages [52-57]....
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