Statistical spectroscopic tools for biomarker discovery and systems medicine.

  title={Statistical spectroscopic tools for biomarker discovery and systems medicine.},
  author={Steven L. Robinette and John C. Lindon and Jeremy K. Nicholson},
  journal={Analytical chemistry},
  volume={85 11},
Metabolic profiling based on comparative, statistical analysis of NMR spectroscopic and mass spectrometric data from complex biological samples has contributed to increased understanding of the role of small molecules in affecting and indicating biological processes. To enable this research, the development of statistical spectroscopy has been marked by early beginnings in applying pattern recognition to nuclear magnetic resonance data and the introduction of statistical total correlation… CONTINUE READING

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