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New Molecular Surface-based 3D-QSAR Method using Kohonen Neural Network and 3-way PLS.

Kiyoshi HasegawaShigeo MatsuokaMasamoto ArakawaKimito Funatsu
Published in: Comput. Chem. (2002)
Keyphrases
  • preprocessing
  • feature extraction
  • least squares
  • high accuracy
  • high precision
  • cross section
  • neural network
  • three dimensional
  • significant improvement
  • energy function
  • dimension reduction
  • gold standard