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Exploring Potency and Selectivity Receptor Antagonist Profiles Using a Multilabel Classification Approach: The Human Adenosine Receptors as a Key Study.

Lisa MichielanStephanie FedericoLothar TerflothDimitar HristozovBarbara CacciariKarl Norbert KlotzGiampiero SpallutoJohann GasteigerStefano Moro
Published in: J. Chem. Inf. Model. (2009)
Keyphrases
  • multilabel classification
  • genetic programming
  • neural network
  • image segmentation
  • training data
  • image features
  • knowledge acquisition
  • logistic regression
  • instance based learning