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Optimal affinity ranking for automated virtual screening validated in prospective D3R grand challenges.

Bentley M. WingertRick OerlemansCarlos J. Camacho
Published in: J. Comput. Aided Mol. Des. (2018)
Keyphrases
  • grand challenges
  • ranking algorithm
  • virtual screening
  • ranking functions
  • database
  • databases
  • learning algorithm
  • pairwise
  • web search
  • early stage
  • optimal assignment
  • chemical structures