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Building QSAR for HTS in vitro assays - a study for the prediction of Aryl hydrocarbon receptor activators.

Ahmed AbdelazizAlexander SafanyaevVladimir A. PalyulinIgor V. Tetko
Published in: J. Cheminformatics (2013)
Keyphrases
  • data sets
  • data management
  • empirical studies
  • prediction accuracy
  • real time
  • decision trees
  • bayesian networks
  • multiscale
  • expert systems
  • early stage
  • prediction error