Quantification and statistical significance analysis of group separation in NMR-based metabonomics studies.

@article{Goodpaster2011QuantificationAS,
  title={Quantification and statistical significance analysis of group separation in NMR-based metabonomics studies.},
  author={Aaron M Goodpaster and Michael A Kennedy},
  journal={Chemometrics and intelligent laboratory systems : an international journal sponsored by the Chemometrics Society},
  year={2011},
  volume={109 2},
  pages={162-170}
}
Currently, no standard metrics are used to quantify cluster separation in PCA or PLS-DA scores plots for metabonomics studies or to determine if cluster separation is statistically significant. Lack of such measures makes it virtually impossible to compare independent or inter-laboratory studies and can lead to confusion in the metabonomics literature when authors putatively identify metabolites distinguishing classes of samples based on visual and qualitative inspection of scores plots that… CONTINUE READING
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