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An Automated Method for Exploring Targeted Substructural Diversity within Sets of Chemical Structures.

John W. RaymondChristopher E. Kibbey
Published in: J. Chem. Inf. Model. (2005)
Keyphrases
  • clustering method
  • similarity measure
  • data mining
  • bayesian networks
  • knowledge discovery
  • feature set
  • chemical structures