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Evaluation of different virtual screening strategies on the basis of compound sets with characteristic core distributions and dissimilarity relationships.

Tomoyuki MiyaoSwarit JasialJürgen BajorathKimito Funatsu
Published in: J. Comput. Aided Mol. Des. (2019)
Keyphrases
  • virtual screening
  • probability distribution
  • random variables
  • drug discovery
  • chemical structures
  • data points
  • data collection
  • early stage