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Flexible docking under pharmacophore type constraints.

Sally A. HindleMatthias RareyChristian BuningThomas Lengauer
Published in: J. Comput. Aided Mol. Des. (2002)
Keyphrases
  • search algorithm
  • data sets
  • machine learning
  • constraint satisfaction
  • multiple constraints
  • database
  • knowledge base
  • probabilistic model
  • co occurrence
  • np complete
  • global constraints
  • mixed integer
  • constraint sets