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A new system for the designation of chemical compounds. 1. Theoretical preliminaries and the coding of acyclic compounds.

Ronald C. Read
Published in: J. Chem. Inf. Comput. Sci. (1983)
Keyphrases
  • chemical compounds
  • drug discovery
  • structural features
  • biological networks
  • graph kernels
  • graph databases
  • graph data
  • np hard
  • feature space