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

At our christmas party we sadly also had to say good bye to our former colleague and alumnus Lars Richter. We want to wish him all the best for his...


Vienna LiverTox Workspace - A Set of Machine Learning Models for Prediction of Interactions Profiles of Small Molecules With Transporters Relevant for...


Propafenone analogue with additional H‐bond acceptor group shows increased inhibitory activity on P‐glycoprotein by Anna Cseke, Theresa Schwarz,...


We want to introduce Karin Grillberger. She also just recently started working with us on the EU-Tox-Risk project. Welcome to the #pharminfo Group.


Our Ph.D. Student Jennifer presented a poster about her work on the development of a Python library containing toxicological datasets for machine...


On December 16, 2019 Dr. Barbara Zdrazil successfully defended her habilitation thesis in front of a large audience consisting of professors,...