RISK-HUNT3R first-year General Assembly & Best Poster Award


The meeting of the RISK-HUNT3R General Assembly in Egmond aan Zee was not only a perfect opportunity for human and scientific exchange for our colleagues who visited the very beautiful place on the North Sea coast north of Amsterdam. In addition, our new colleague Sergey also received the award for the best poster! Congratulations!

Poster Abstract - Sergey Sosnin & Gerhard Ecker

Analysis of the applicability domain and a model uncertainty plays a crucial role in reliable QSAR modeling. We present a method and tool for visually analyzing a model’s uncertainty on the chemical space of the model.

Our tool utilizes the parametric t-SNE model, which was pretrained on the entire ChEMBL database, to visualize large databases of organic compounds based on compounds’ structural similarity. We demonstrate that this method can have several promising applications: investigation of the applicability domains of QSAR models, search for activity cliffs, and outliers detection.

Gerhard & Sergey

Julia & Gerhard & Elisa Sophia

 More News


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


The eTRANSAFE consortium members got together on 20-21 October for the second face-to-face meeting of the year. The event also featured the 2nd...


The consortia meetings of REsolution and RESOLUTE took place in Berlin. The event, hosted by Bayer, gathered 60 international participants. On October...