Samuel Genheden

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, where he simulated membrane phenomena using multiscale approaches. He joined the Molecular AI department at AstraZeneca in 2020 and became team leader in 2022. The team’s research focuses on the AiZynth platform for AI-assisted retrosynthesis planning. 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.