Objective

Machine Learning (ML) and Artificial Intelligence (AI) are currently transforming the society. While a lot of the concepts are relatively old, the increased amount of data, faster processors and more use of automation in drug discovery have triggered a lot of interest to apply ML and AI in the drug discovery process. One of the most exciting new developments have been in applying different deep learning architectures in de novo molecular design. Another area, which will be highlighted is chemical reaction prediction, where there has been a lot of progress recently.