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Using cheminformatics to predict cross reactivity of "designer drugs" to their currently available immunoassays.

Matthew D. KrasowskiSean Ekins
Published in: J. Cheminformatics (2014)
Keyphrases
  • three dimensional
  • trade off
  • conceptual design
  • database
  • data sets
  • real world
  • agent architecture
  • neural network
  • artificial intelligence
  • image processing
  • evolutionary algorithm
  • design process
  • drug discovery