Richard Bonneau, Vice President of Machine Learning for Drug Discovery at Genentech and Roche, provides Pitt’s HexAI podcast host, Jordan Gass-Pooré, with an insider view on how his team is fundamentally changing and accelerating how new drug candidate molecules are designed, predicted, and optimized.

Geared for students in computational sciences and hybrid STEM fields, the episode introduces listeners to uses of AI and ML in molecular design, the biomolecular structure and structure-function relationships that underpin drug discovery, and how distinct teams at Genentech work together through an integrated computational system.

Richard and Jordan use the opportunity to touch on how advances in the molecule design domain can inspire and inform advances in computational pathology and laboratory medicine. Richard also delves into the critical role of Explainable AI (XAI), interpretability, and error estimation in the drug design-prototype-test cycle, and provides advice on domain knowledge and skills needed today by students interested in joining teams like his at Genentech and Roche.