Samuel Genheden leads the Deep Chemistry team in Discovery Sciences, AstraZeneca R&D. He received his PhD in theoretical chemistry from Lund University in 2012, having studied computational methods to estimate ligand-binding affinities. He continued with postdocs at the Universities of Southampton and Gothenburg. He joined the Molecular AI department at AstraZeneca in 2020 and led the development of AstraZeneca’s internal platform for synthesis planning. Today he leads research on AI agents based on large language models and the development of an internal chemistry agent. Samuel’s interests lie in studying chemical and biological systems with computers and using these approaches to impact drug development. He is a keen advocate for open-source software.