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Partial Charge Calculation Method Affects CoMFA QSAR Prediction Accuracy.

Ruchi R. MittalLisa HarrisRoss A. McKinnonMichael J. Sorich
Published in: J. Chem. Inf. Model. (2009)
Keyphrases
  • prediction accuracy
  • calculation method
  • predictive accuracy
  • predictive power
  • ensemble methods
  • improve the prediction accuracy
  • marine power plant
  • decision trees
  • logistic regression
  • drug discovery
  • drug design