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Applying NMR compound identification using NMRfilter to match predicted to experimental data.

Stefan KuhnSimon Colreavy-DonnellyLucas Eliseu de Andrade Silva QuaresmaEzequiel de Andrade Silva QuaresmaRicardo Moreira Borges
Published in: Metabolomics : Official journal of the Metabolomic Society (2020)
NMRfilter is currently under development to become a stand-alone interactive software for high-confidence NMR compound identification and this communication gathers part of its application capabilities.
Keyphrases
  • magnetic resonance
  • high resolution
  • solid state
  • bioinformatics analysis
  • electronic health record
  • data analysis
  • big data
  • machine learning
  • mass spectrometry
  • deep learning
  • artificial intelligence