Transforming drug design with ML/AI

Artificial Intelligence has become increasingly impactful in the life sciences over the last few years, pushing scientific boundaries, as exemplified by the recent success of AlphaFold2. In this talk, I will provide an overview of how AI has impacted drug design in the last few years, where we are now and what progress we can reasonably expect in the coming years. The presentation will focus on deep learning-based molecular de novo design; however, aspects of using multi-agent systems and the integration of AI with automation will also be covered.