Physicochemical Computations

Physicochemical Computations


Compound characterization is also a feature that can be apply to any compound under investigation. These properties can also be used in model building to predict those endpoints based on the own experimental data.

In addition, the approaches have a prediction of several DMPK endpoints like permeability, the probability to cross the blood brain barrier, solubility, plasma protein binding… Moreover, physicochemical endpoints are also predicted like Pka, logD and log D.

Finally, it also includes the possibility to predict the targets that can interact with a compound, impurities or their metabolites that can reveal off-target effect.

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