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Transferable scoring function based on semiempirical quantum mechanical PM6-DH2 method: CDK2 with 15 structurally diverse inhibitors.

Petr DobesJindrich FanfrlíkJan RezácMichal OtyepkaPavel Hobza
Published in: J. Comput. Aided Mol. Des. (2011)
Keyphrases
  • scoring function
  • prior knowledge
  • similarity measure
  • probabilistic model
  • data points
  • maximum likelihood estimation