AIML Research Seminar: Intelligent Molecular Design

On 7 October, we were delighted to welcome Dr Jie Liu, Postdoc at SAiGENCI specialising in Artificial Intelligence for Computational Biology, who presented a deep learning framework for proteolysis-targeting chimeras generation and degradability prediction.

Abstract:  Proteolysis-targeting chimeras (PROTACs) represent a powerful strategy for targeted protein degradation, yet their design is hindered by the complexity of linker generation and degradability assessment. Our recent research unifies PROTAC generation and degradability prediction. We leverage graph-based architectures to generate chemically valid linkers guided by protein–ligand context and integrates predictive modelling to evaluate degradation potential. Experiments demonstrate the framework’s ability to produce diverse, drug-like candidates with reliable degradability predictions.