AI3SD Video: Machine Learning for Early Stage Drug Discovery

Abstract

Professor Charlotte Deane from the University of Oxford speaks about some of the work her research group have done on Machine Learning for Early Stage Drug Discovery to give a flavour of the different kinds of approaches they have been looking at. These run from predicting whether molecules will bind or not bind to a given protein target, to trying to remove biases from that kind of work, to finally how do we generate novel molecules in the protein binding sites.