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RTExtract: time-series NMR spectra quantification based on 3D surface ridge tracking.

Yue WuMichael T. JudgeJonathan ArnoldSuchendra M. BhandarkarArthur Edison
Published in: Bioinform. (2020)
Keyphrases
  • nmr spectra
  • chemical compounds
  • nuclear magnetic resonance
  • training set
  • knowledge discovery
  • prediction accuracy
  • discrete data