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Notes on quantitative structure-properties relationships (QSPR) part 2: The role of the number of atoms as a molecular descriptor.

Ramon Carbó-DorcaAna Gallegos Saliner
Published in: J. Comput. Chem. (2009)
Keyphrases
  • computational complexity
  • object recognition
  • data sets
  • three dimensional
  • small number
  • structural properties
  • maximum number
  • multiscale
  • drug discovery
  • molecular structures