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The Extent of the Relationship between the Graph-Theoretical and the Geometrical Shape Coefficients of Chemical Compounds.

Peter A. BathAndrew R. PoirrettePeter WillettFrank H. Allen
Published in: J. Chem. Inf. Comput. Sci. (1995)
Keyphrases
  • graph theoretical
  • chemical compounds
  • graph theory
  • drug discovery
  • graph databases
  • structural features
  • xml documents
  • structured data
  • graph data
  • graph kernels
  • graph patterns
  • subgraph isomorphism