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ForceGen 3D structure and conformer generation: from small lead-like molecules to macrocyclic drugs.

Ann E. ClevesAjay N. Jain
Published in: J. Comput. Aided Mol. Des. (2017)
Keyphrases
  • small number
  • machine learning
  • bayesian networks
  • search algorithm
  • multi agent systems
  • expert systems
  • evolutionary algorithm
  • structural information
  • structural properties
  • graph structure
  • drug design