I am a Ph.D. student in the Modeling and Simulation Group at the Computer Science Department of Saarland University and part of the NextAID research initiative.
My research is broadly focused on neuroexplicit models for computer-aided drug design. I am particularly interested in how chemical domain knowledge can be incorporated into machine learning methods. I currently explore this question in practice in terms of kinase binding-affinity prediction and structural elucidation based on tandem mass spectrometry data.