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Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist's dream.

Mikhail E. ElyashbergKirill A. BlinovSergey G. MolodtsovYegor D. SmurnyyAntony J. WilliamsTatiana S. Churanova
Published in: J. Cheminformatics (2009)
Keyphrases
  • computer assisted
  • preprocessing
  • molecular structure
  • qualitative and quantitative
  • data mining
  • computational cost
  • computer aided
  • computer vision
  • face recognition
  • significant improvement