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A structure-activity relationship study of catechol-O-methyltransferase inhibitors combining molecular docking and 3D QSAR methods.

Anu J. TervoTommi H. NyrönenToni RönkköAntti Poso
Published in: J. Comput. Aided Mol. Des. (2003)
Keyphrases
  • significant improvement
  • empirical studies
  • preprocessing
  • computational cost
  • activity theory
  • genetic algorithm
  • information systems
  • machine learning methods