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Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers.

Jonathan D. TyzackHamse Y. MussaMark J. WilliamsonJohannes KirchmairRobert C. Glen
Published in: J. Cheminformatics (2014)
Keyphrases
  • gpu accelerated
  • probabilistic classifiers
  • real time
  • prediction accuracy
  • finite element
  • naive bayes
  • data sets
  • data mining
  • natural language processing