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Discriminating extra virgin olive oils from common edible oils: Comparable performance of PLS-DA models trained on low-field and high-field 1 H NMR data.

Thomas HeadRyland T GiebelhausSeo Lin NamA Paulina de la MataJames J HarynukPaul R Shipley
Published in: Phytochemical analysis : PCA (2024)
We demonstrate that PLS-DA models trained on low-field NMR spectra are highly predictive when classifying EVOOs from other oils and perform comparably to those trained on high-field spectra. We demonstrated that variance was primarily driven by regions of the spectra arising from olefinic protons and ester protons from unsaturated fatty acids in models derived from data at both field strengths.
Keyphrases
  • magnetic resonance
  • resistance training
  • fatty acid
  • high resolution
  • electronic health record
  • big data
  • machine learning
  • mass spectrometry
  • body composition
  • solid state
  • artificial intelligence