pKa Calculations

Hi,

I have started to use Chemicalize to predict the pKa of molecules and was wondering if there is any information/guidance available on how the software does it? Any advice is greatly appreciated.

Thanks in advance,

 

 

Hi,

You can find the description of the pKa calculation method at: http://www.chemaxon.com/marvin/help/calculations/pKa.html

 

Best regards, 

Viktoria