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Assessing Synthetic Accessibility of Chemical Compounds Using Machine Learning Methods.

Yevgeniy PodolyanMichael A. WaltersGeorge Karypis
Published in: J. Chem. Inf. Model. (2010)
Keyphrases
  • chemical compounds
  • drug discovery
  • structural features
  • graph data
  • biological networks
  • data structure
  • graph mining
  • graph databases
  • graph kernels
  • subgraph isomorphism
  • social networks
  • graph patterns