Predicting structure properties with Calculator Plugins

presentation · 14 years ago
by Nóra Máté (ChemAxon)
Calculator Plugins (logP logD pKa etc...)

Key topics:

  • Overview / theoretical background
  • Validation and development
  • pKa, logP, logD estimation

Additional resources Recent scientific posters /conf/Prediction_of_dissociation_constant_using_microconstants.pdf