Mission Statement

Following a holistic pharmacoinformatic approach we combine structural modeling of proteins, structure-based drug design, chemometric and in silico chemogenomic methods, statistical modeling and machine learning approaches to develop predictive computational systems for transporters and ion channels. The validation and optimisation of the obtained in silico models by strong links to experimental groups is an integral part of these activities.

Furthermore, we aim at developing tools for in vitro to in vivo translation and for toxicity prediction, thereby leveraging integrated life science data as provided by the Open PHACTS Discovery Platform. Research activities are complemented by strong educational activities, outlined in the doctoral program MolTag and in EUROPIN, a European PhD Program in Pharmacoinformatics.

Latest News

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Today, 1st of September, eTRANSAFE is officially starting its journey. We are looking forward to work on Enhancing TRANslational SAFEty Assessment through Integrative Knowledge Management ...

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free access for 50days: Anyone who clicks on this link within 50 days, will be taken to the final version of our article on ScienceDirect for free. No sign up or registration is needed -...

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The report from the "First Austrian Science Coordination Workshop for In Vitro & In Silico Approaches to Safety Assessment of Chemicals and Environmental Media" was officially published.

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The Young Group of the Italian Chemical Society (Società Chimica Italiana Giovani) awarded Stefanie during a special oral session dedicated to researchers under the age of 35.

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Inferring the behaviour of a substance in the human body from animal or cell data is one of the biggest challenges in pharmaceutical R&D. The European research project TransQST has set its...

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Publication
 

The bile salt export pump (BSEP) actively transports conjugated monovalent bile acids from the hepatocytes into the bile. This facilitates the formation of micelles and promotes digestion...

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