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"Ask Ernö": a self-learning tool for assignment and prediction of nuclear magnetic resonance spectra.

Andrés M. CastilloAndrés BernalReiner DiedenLuc PatinyJulien Wist
Published in: J. Cheminformatics (2016)
Keyphrases
  • nuclear magnetic resonance
  • nmr spectra
  • prediction accuracy
  • protein structure
  • data mining
  • machine learning
  • feature selection
  • xml documents