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Published online Nov 28, 2005. doi: 10.1098/rstb.2005.1734

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A schematic view of metabolomics. The position of metabolomics is shown in respect to the other omic approaches and the influence of the environment. In addition a scheme is shown for producing pattern recognition models capable of deducing metabolic profiles. The initial phase usually involves the acquisition of a large dataset in terms of both the variables (metabolites) and observations (subjects), commonly using either 1H NMR spectroscopy or mass spectrometry. However, the use of pattern recognition techniques is an integral part of the approach if the innate metabolic variation associated with different individuals is to be separated from that induced by the insult or physiological stimulus. Following the generation of a database from metabolic responses, this can then be used to build a predictive pattern recognition model that is capable of predicting class membership (e.g. clustering according to the gene deleted).

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