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The atom assignment problem in automated de novo drug design. 3. Algorithms for optimization of fragment placement onto 3D molecular graphs.

M. T. BarakatP. M. Dean
Published in: J. Comput. Aided Mol. Des. (1995)
Keyphrases
  • drug design
  • optimization problems
  • graph theory
  • combinatorial optimization
  • data mining techniques
  • database systems
  • statistical analysis