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Dissociation constant prediction software tools | Drug discovery data analysis

The biopharmaceutical profile of a compound depends directly on the dissociation constants of its acidic and basic groups, commonly expressed as the negative decadic logarithm pKa of the acid dissociation constant (Ka).

Source text:
(Rupp et al., 2011) Predicting the pKa of small molecule. Comb Chem High Throughput Screen.

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