Welcome to the Pharmacoinformatics Research Group

#pharminfo

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 tools for drug discovery and development. Hereby, the main focus of our work comprise interaction of ligands with transmembrane transport proteins and prediction of toxicity. 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 in the area of adverse drug event prediction, thereby leveraging integrated life science data. 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

News
 

Your areas of responsibility include the scientific support of our projects related to structure-based drug design. We also expect design and...

Open Access
 

... off-target panel safety assessment of small molecules. In this work we developed an open source workflow for off-target predictions based on Roche...

Publication
 

... Physiologically Based Pharmacokinetic (HT-PBPK) Modeling Predictions to Inform Early Drug Discovery! In conclusion, a bottom-up PBPK and HT-PBPK...

News
 

We are very proud and happy for our dear colleague Karin Grillberger. She passed her exam with distinction. We wish you all the best for the future....

News
 

We will miss you. But at the same time we're glad you're not moving far away. Claire has recently started her new job, but we also want to...

Event
 

The research at our faculty is one thing above all: diverse! To show this diversity, we are looking for extraordinary and exciting snapshots of...