Predicting structure properties with Calculator Plugins

Predicting structure properties with Calculator Plugins

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

Recent scientific posters

• http://www.chemaxon.com/conf/Prediction_of_dissociation_constant_using_microconstants.pdf
• http://www.chemaxon.com/conf/Prediction_of_distribution_coefficient_using_microconstants.pdf