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Automatic identification of molecular similarity using reduced-graph representation of chemical structure.

Yoshimasa TakahashiMasayuki SukekawaShin-ichi Sasaki
Published in: J. Chem. Inf. Comput. Sci. (1992)
Keyphrases
  • graph representation
  • automatic identification
  • graph model
  • similarity measure
  • drug discovery
  • graph representations
  • co occurrence
  • distance measure
  • adjacency matrix
  • chemical reactions