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

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News
 

Congratulations to our Group Leader Gerhard Ecker! After the appointment of Gerhard Ecker as dean, Gerhard J. Herndl (resources), Eva Millesi (international and outreach) and Karl-Heinz...

News
 

The session 8 at the ITTS conference in Vienna on "RESOLUTE: an academic-industry IMI partnership to tackle SLCs" was a great success. Our collegue Daniela Digles talked about "RESOLUTE...

News
 

On July 1, 2018 RESOLUTE announced the start of a 5-year research project! We are looking forward to join forces together with 13 academic and industry partners to unlock the solute carrier...

News
 

April 30th 2018 marks 10 years since our first call for proposals. Since then, we’ve been carrying the torch of medical innovation, helping to deliver breakthroughs that – step-by-step – are...

Publication
 

Prior to the clinical phases of testing, safety, efficacy and pharmacokinetic profiles of lead compounds are evaluated in animal studies. These tests are primarily performed in rodents, such...

Book Chapter
 

The Open PHACTS Discovery Platform integrates several public databases, which can be of interest when annotating the results of a phenotypic screening campaign. Workflow tools provide...

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