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

Open Access
 

Happy New Year! 2023 is already off to a great start with the first published paper this year.

News
 

It is with great pleasure that we announce that our interdisciplinary PhD program MolTag can be continued for another 12 months! We will celebrate...

Event
 

We are happy to announce the date of #SSDD23: Our summer school will take place in person in Vienna from September 10th to 15th, 2023!

News
 

Today, our dear colleague Barbara defended her PhD Thesis with distinction and best possible grades. Her PhD thesis: "Data science approaches for...

Open Access
 

Mutations in breast cancer susceptibility proteins 1 and 2 (BRCA1/2) are the most common genetic predisposition associated with familial breast and...

News
 

The Department of Pharmaceutical Sciences is looking for a dedicated Third-Party Funding Officer for the administrative coordination of externally...