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Automated Structure Elucidation of Organic Molecules from 13C NMR Spectra Using Genetic Algorithms and Neural Networks.

Jens MeilerMartin Will
Published in: J. Chem. Inf. Comput. Sci. (2001)
Keyphrases
  • neural network
  • nmr spectra
  • chemical compounds
  • pattern recognition
  • feature vectors
  • data mining
  • data mining techniques