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Mini-fingerprints Detect Similar Activity of Receptor Ligands Previously Recognized Only by Three-Dimensional Pharmacophore-Based Methods.

Ling XueFlorence L. StahuraJeffrey W. GoddenJürgen Bajorath
Published in: J. Chem. Inf. Comput. Sci. (2001)
Keyphrases
  • three dimensional
  • preprocessing
  • computational cost
  • data sets
  • neural network
  • bayesian networks
  • feature space
  • benchmark datasets
  • automatic detection
  • qualitative and quantitative