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• W1981395890 abstract "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 partial least squares projection to latent structures discriminant analysis (PLS-DA). The optimization of the algorithm for parallel computing led to a substantial increase in performance. Metabolic fingerprinting showed a discrimination of the samples and indicates a metabolic effect of SHS." @default.
• W1981395890 created "2016-06-24" @default.
• W1981395890 creator A5004825633 @default.
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• W1981395890 date "2011-01-01" @default.
• W1981395890 modified "2023-09-25" @default.
• W1981395890 title "Application of parallel computing to speed up chemometrics for GC×GC–TOFMS based metabolic fingerprinting" @default.
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• W1981395890 doi "https://doi.org/10.1016/j.talanta.2010.09.015" @default.
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• W1981395890 hasPublicationYear "2011" @default.
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