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.


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The Pharmacoinformatics Research Group is seeking for two Postdocs in the area of Deep Learning and Data Science. Applications including a letter of motivation should be submitted via the Job Center to the University of Vienna mentioning the specific reference number.

Latest News


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.


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...

univienna blogs

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...


We recently received funding for a new FWF project "FAIRness for Life Science Data in Austria" (ORD 63 Open Research Data). As a long-term goal, this open research data pilot should ...


Patients who take medications often simply accept the potential side-effects. Only few people realize that such side-effects can be lethal. The pharmacist Gerhard Ecker and his team are...

Research Newsletter May 2017

A considerable number of approved drugs show non-equilibrium binding characteristics, emphasizing the potential role of drug residence times for in vivo efficacy. Therefore, a detailed...