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Predicting pKa Using a Combination of Semi-Empirical Quantum Mechanics and Radial Basis Function Methods.

Peter A. HuntLayla Hosseini-GeramiTomas ChrienJeffrey PlanteDavid J. PontingMatthew D. Segall
Published in: J. Chem. Inf. Model. (2020)
Keyphrases
  • radial basis function
  • rbf network
  • quantum mechanics
  • machine learning
  • support vector machine svm
  • rbf neural network
  • learning algorithm
  • artificial neural networks
  • genetic programming