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Feature-map vectors: a new class of informative descriptors for computational drug discovery.

Gregory A. LandrumJulie PenzottiSantosh Putta
Published in: J. Comput. Aided Mol. Des. (2006)
Keyphrases
  • drug discovery
  • feature maps
  • feature vectors
  • early stage
  • virtual screening
  • neural network
  • kernel function
  • data analysis
  • systems biology