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The rcdk and cluster R packages applied to drug candidate selection.

Adrian VoicuNarcis DuteanuMirela VoicuDaliborca VladVictor Dumitrascu
Published in: J. Cheminformatics (2020)
Keyphrases
  • genetic algorithm
  • decision trees
  • bayesian networks
  • artificial neural networks
  • real time
  • databases
  • learning algorithm
  • computer vision
  • pairwise
  • hidden markov models
  • data points
  • cluster analysis
  • candidate set