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 Vienna LiverTox Workspace allows computing probabilities for a compound to be a substrate or an inhibitor of a considerable number of liver transporters as well as its risk of causing...


In addition, two more colleagues were awarded at the 50th Scientific Training Week for Pharmacists: Stefanie won 4th place and Sophia got a book for her achievements.


The summer school especially focuses on students and professionals who have a clear interest in learning the basics as well as latest developments in Pharmacoinformatics. This year the...


Chemical compound bioactivity and related data are nowadays easily available from open data sources and the open medicinal chemistry literature for many transmembrane proteins. Computational...


Hyperbilirubinemia is a pathological condition of excessive accumulation of conjugated or unconjugated bilirubin in blood. It has been associated with neurotoxicity and non-neural organ...


TransQST - We will be working on this new project funded by the Innovative Medicine Initiative (IMI2) starting in 2017. It's an european collaborative together with 21 partners from all...