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Hybrid receptor structure/ligand-based docking and activity prediction in ICM: development and evaluation in D3R Grand Challenge 3.

Polo Chun-Hung LamRuben AbagyanMaxim Totrov
Published in: J. Comput. Aided Mol. Des. (2019)
Keyphrases
  • grand challenge
  • formative evaluation
  • prediction accuracy
  • prediction error
  • neural network
  • case study
  • network structure
  • human activities
  • development process
  • drug discovery
  • grand challenges