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Using explanations for determining carcinogenecity in chemical compounds.

Eva Armengol
Published in: Eng. Appl. Artif. Intell. (2009)
Keyphrases
  • chemical compounds
  • drug discovery
  • graph databases
  • structural features
  • graph kernels
  • biological networks
  • graph data
  • machine learning
  • relational databases
  • graph patterns
  • subgraph isomorphism