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The Comparative Molecular Surface Analysis (CoMSA) with Modified Uniformative Variable Elimination-PLS (UVE-PLS) Method: Application to the Steroids Binding the Aromatase Enzyme.

Jaroslaw PolanskiRafal Gieleciak
Published in: J. Chem. Inf. Comput. Sci. (2003)
Keyphrases
  • partial least squares
  • parameter estimation
  • regression model
  • latent variables
  • neural network
  • prior knowledge
  • model selection
  • energy function
  • belief networks