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Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubility.

Olga ObrezanovaJoelle M. R. GolaEdmund J. ChampnessMatthew D. Segall
Published in: J. Comput. Aided Mol. Des. (2008)
Keyphrases
  • fully automatic
  • human brain
  • learning algorithm
  • desirable properties
  • information retrieval
  • artificial intelligence
  • semi automatic
  • phase transition
  • modeling method