In the search for new drugs, artificial intelligence in the form of diffusion models is being used in drug design. What exactly does AI do in this context? Dr. Andrea Mastropietro and Prof. Dr. Jürgen Bajorath from Life Science Informatics at the University of Bonn and the Lamarr Institute for Machine Learning and Artificial Intelligence have published an article in Cell Reports Physical Science on this topic. Below, they answer questions about this method.