A new in silico framework is presented to predict inhibition of the sodium-iodide symporter (NIS), a key molecular initiating event linked to thyroid...
This study introduces a proteochemometric machine-learning model to predict activity and selectivity of ligands across the SLC5 transporter family. By...
Combining advanced docking strategies with experimental validation, this work pushes the boundaries of in silico toxicity prediction for mitochondrial...
A new study showcases KNIME-based workflows that allow researchers to systematically evaluate how common bioisosteric replacements influence potency...
On 19 September 2025, Abir successfully defended her PhD thesis entitled "Toxicity predictions of biological drugs". Congratulations! We will miss you...
Thank you all! The summer school especially focuses on students and professionals who have a clear interest in learning the basics as well as latest...
If you would like to perform your Master Thesis in the Pharmacoinformatics Research Group in the winter term 2026, please send an e-mail with your CV,...
The whole RISK-HUNT3R consortium convened in June in Helsinki for a truly energizing week, bringing together project members and stakeholders to shape...
In this interview in the course of the VITALITY project, Gerhard Ecker talks about the aim to reduce the number of animal experiments by doing early...
