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Prediction of acidity in acetonitrile solution with COSMO-RS.

Frank EckertIvo LeitoIvari KaljurandAgnes KüttAndreas KlamtMichael Diedenhofen
Published in: J. Comput. Chem. (2009)
Keyphrases
  • prediction accuracy
  • search strategy
  • machine learning
  • reinforcement learning
  • prediction model
  • linear equations
  • computer vision
  • bayesian networks
  • multiscale
  • multi objective
  • prediction error