Background materials

Here we collected some pages that both the user and the developer can find useful while working with ChemAxon's Calculator Plugins.They discuss the theoretical background of the calculations in ChemAxon's Calculator Plugins:

• Calculation of partial charge distribution

• Generate3D

• Isoelectric point (pI) calculation

• LogP and logD calculations

• NMR model prediction

• pKa calculation

• Red and blue representation of pKa values

• Tautomerization and tautomers

• Validation results

• Tautomerization and tautomer models of ChemAxon

• Theory of aqueous solubility prediction

• The tautomerization models behind the JChem tautomer search

• Calculators performance reports