| DOI | Resolve DOI: https://doi.org/10.4018/978-1-61350-435-2.ch001 |
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| Author | Search for: Cuperlovic-culf, Miroslava1 |
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| Name affiliation | - National Research Council of Canada. Information and Communication Technologies
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| Format | Text, Book chapter |
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| Book title | Systemic Approaches in Bioinformatics and Computational Systems Biology |
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| Series title | Advances in Bioinformatics and Biomedical Engineering |
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| ISSN | 2327-7033
2327-7041 |
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| ISBN | 9781613504352
9781613504369 |
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| Pages | 1–28 |
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| Abstract | Metabolomics or metababonomics is one of the major high throughput analysis methods that endeavors holistic measurement of metabolic profiles of biological systems. Data analysis approaches in metabolomics can broadly be divided into qualitative – analysis of spectral data and quantitative – analysis of individual metabolite concentrations. In this work, the author will demonstrate the benefits and limitations of different unsupervised analysis tools currently utilized in qualitative and quantitative metabolomics data analysis. Following a detailed literature review outlining different applications of unsupervised methods in metabolomics, the author shows examples of an application of the major previously utilized unsupervised analysis methods. The testing of these methods was performed using qualitative as well as corresponding quantitative metabolite data derived to represent a large set of 2,000 objects. Spectra of mixtures were obtained from different combinations of experimental NMR measurements of 13 prevalent metabolites at five different groups of concentrations representing different phenotypes. The analysis shows advantages and disadvantages of standard tools when applied specifically to metabolomics. |
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| Publication date | 2012 |
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| Publisher | Medical Information Science Reference |
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| Language | English |
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| Peer reviewed | Yes |
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| NPARC number | 23001800 |
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| Export citation | Export as RIS |
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| Report a correction | Report a correction |
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| Record identifier | c5de7866-858f-4239-bcfe-85d27de1f2a7 |
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| Record created | 2017-04-07 |
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| Record modified | 2020-03-03 |
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