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Sophisticated algorithm for automatic extraction and analysis of substituent-induced chemical shift differences on carbon-13 NMR spectra.

Lingran ChenWolfgang Robien
Published in: J. Chem. Inf. Comput. Sci. (1993)
Keyphrases
  • automatic extraction
  • similarity measure
  • random walk
  • decision trees
  • feature extraction
  • data analysis
  • semi supervised
  • matching algorithm
  • graph structure