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Notes on quantitative structure-property relationships (QSPR), part 3: Density functions origin shift as a source of quantum QSPR algorithms in molecular spaces.

Ramon Carbó-Dorca
Published in: J. Comput. Chem. (2013)
Keyphrases
  • density function
  • kernel density estimation
  • learning algorithm
  • probability density function
  • drug discovery
  • higher order
  • machine learning algorithms