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Docking and Scoring with Target-Specific Pose Classifier Succeeds in Native-Like Pose Identification But Not Binding Affinity Prediction in the CSAR 2014 Benchmark Exercise.

Regina PolitiMarino ConvertinoKonstantin PopovNikolay V. DokholyanAlexander Tropsha
Published in: J. Chem. Inf. Model. (2016)
Keyphrases
  • pose estimation
  • d objects
  • position and orientation
  • decision trees
  • training data
  • support vector
  • pairwise
  • prediction accuracy
  • classification algorithm
  • knn
  • training samples
  • training examples
  • scoring model