In silico pharmacokinetic modeling

Status
Established Project

Background
Development and use of in silico models for predicting pharmacokinetic properties is important in lead development. A prerequisite for obtaining predictive models is that these are based on high quality, consistent data (i.e. measured by one source) of structurally diverse compounds.

Aim
To develop models for prediction of drug absorption. To apply these models in different projects within the department. To select a data set of structurally diverse drugs and to characterize these as fully as possible using theoretical as well as experimental methods.

Method
We have so far focused on developing predictive models for intestinal absorption. We will now initiate pharmacokinetic and physicochemical characterization of the above selected data set and use the results for model development.

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