Application of parallel computing to speed up chemometrics for GC×GC-TOFMS based metabolic fingerprinting.

@article{Grger2011ApplicationOP,
  title={Application of parallel computing to speed up chemometrics for GC×GC-TOFMS based metabolic fingerprinting.},
  author={Thomas Maximilian Gr{\"o}ger and Ralf Zimmermann},
  journal={Talanta},
  year={2011},
  volume={83 4},
  pages={1289-94}
}
Parallel computing was tested regarding its ability to speed up chemometric operations for data analysis. A set of metabolic samples from a second hand smoke (SHS) experiment was analyzed with comprehensive two-dimensional gas chromatography time-of-flight mass spectrometry (GC×GC-TOFMS). Data was further preprocessed and analyzed. The preprocessing step comprises background correction, smoothing and alignment of the chromatographic signal. Data analysis was performed by applying t-test and… CONTINUE READING

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