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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Event
 

Alžběta, Eva and Florentina have been representing the pharmaceutical sciences at the Night of Research on campus. This years event was promoting the slogan "Stage free for the next...

News
 

The American Chemical Society (ACS) awarded Jana with a CINF Scholarship for Scientific Excellence which is designed to reward graduate and postdoctoral students in chemical information and...

Publication
 

a case study on selected imbalanced data sets relevant for prediction of liver toxicity. Cheminformatics datasets used in classification problems, especially those related to biological or...

News
 

The candidate should have an excellent track record in the field of data science and ideally also systems modelling. The application period is closed. Thank you!

News
 

The candidate should have an excellent track record in the field of machine learning, ideally in the life science domain. The application period is closed. Thank you!

News
 

ToxPHACTS combines highly innovative chemical similarity searching with the power of semantically integrated life science data. This brings toxicological read across to the desktop of every...

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