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On the Basis of Invariants of Labeled Molecular Graphs.

Igor I. BaskinMariya I. SkvortsovaIvan V. StankevichNikolai S. Zefirov
Published in: J. Chem. Inf. Comput. Sci. (1995)
Keyphrases
  • labeled graphs
  • training data
  • data sets
  • three dimensional
  • supervised learning
  • graph theory
  • graph theoretic
  • directed graph
  • bipartite graph
  • affine invariant
  • graph mining
  • undirected graph
  • subgraph isomorphism