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Relevance of Feature Combinations for Similarity Searching Using General or Activity Class-Directed Molecular Fingerprints.

Eugen LounkineYe HuJosé BatistaJürgen Bajorath
Published in: J. Chem. Inf. Model. (2009)
Keyphrases
  • similarity searching
  • virtual screening
  • neural network
  • similarity search
  • nearest neighbor
  • chemical structures
  • data sets
  • search engine
  • similarity measure
  • metric space