Welcome to the Pharmacoinformatics Research Group


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


We would also very much like to welcome Marlene Kofler with us here at #pharminfo group. As always we are happy you chose our group to do your diploma...


On November 26, 2019 Florentina Troger participated at the Vienna Science Slam at the Wiener Metropol with an outstanding performance.


Just some time ago Jiani started her diploma thesis on available data on SLC transporters. We are very happy she joined our group in order to write...


The 18.11.2019 was a very special day for Anna. On this day, she successfully defended her PhD thesis "Development and application of biochemical...


Sarah is the next diploma student we want to introduce to you. She recently joined our group and is going to write her diploma thesis about comparing...


We are welcoming Claudia Seifried this time. We are happy you joined our team and also looking forward working with you on the human mitochondrial...