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Novel, Customizable Scoring Functions, Parameterized Using N-PLS, for Structure-Based Drug Discovery.

Cornel CatanaPieter F. W. Stouten
Published in: J. Chem. Inf. Model. (2007)
Keyphrases
  • drug discovery
  • scoring functions
  • scoring function
  • virtual screening
  • complex systems
  • learning algorithm
  • data warehouse
  • least squares
  • scientific data
  • systems biology
  • pharmaceutical industry