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PRO_LIGAND: An approach to de novo molecular design. 3. A genetic algorithm for structure refinement.

David R. WestheadDavid E. ClarkDavid FrenkelJin LiChristopher W. MurrayBarry RobsonBohdan Waszkowycz
Published in: J. Comput. Aided Mol. Des. (1995)
Keyphrases
  • genetic algorithm
  • three dimensional
  • design process
  • fitness function
  • hierarchical structure
  • evolutionary algorithm
  • multi objective
  • engineering design
  • molecular structures