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Customizable Generation of Synthetically Accessible, Local Chemical Subspaces.

Joshua PottelNicolas Moitessier
Published in: J. Chem. Inf. Model. (2017)
Keyphrases
  • high dimensional data
  • data sets
  • databases
  • decision trees
  • case study
  • pattern recognition
  • parameter space
  • generation process
  • search algorithm
  • training set
  • hidden markov models
  • lower dimensional
  • hilbert space