Accurate pKa prediction and automatic structure modification is critical for many computational chemistry methods which are strongly dependent on the tautomerization and protonation state of the structures, including docking, binding affinity estimation, QSAR and ADME modelling, and metabolism prediction.

MoKa implements a novel approach for in-silico computation of pKa values; trained using a very diverse set of more than 25000 pKa values, it provides accurate and fast calculations using an algorithm based on descriptors derived from GRID molecular interaction fields.
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Additional Information

Updated
September 29, 2016
Size
15M
Installs
500+
Current Version
1.7
Requires Android
4.1 and up
Content Rating
Everyone
Permissions
Offered By
Molecular Discovery Ltd.
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