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Estimation of the applicability domain of kernel-based machine learning models for virtual screening.

Nikolas FechnerAndreas JahnGeorg HinselmannAndreas Zell
Published in: J. Cheminformatics (2010)
Keyphrases
  • machine learning models
  • virtual screening
  • spam filtering
  • similarity searching
  • machine learning algorithms
  • drug discovery
  • chemical structures
  • machine learning
  • machine learning approaches