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Can Descriptors of the Electron Density Distribution Help To Distinguish Functional Groups?

Julien BurtonNathalie MeuriceLaurence LeherteDaniel P. Vercauteren
Published in: J. Chem. Inf. Model. (2008)
Keyphrases
  • density distribution
  • density function
  • arbitrary shape
  • image retrieval
  • feature vectors
  • keypoints
  • uniform distribution
  • feature selection
  • high accuracy