AstraZeneca Supervisors

 Dr. Ola Engkvist obtained his PhD in Computational Chemistry at the University of Lund in 1997, and continued with postdoctoral studies at the University of Cambridge and the Czech Academy of Sciences. Between 2000 and 2004, he worked for two Biotech companies before joining AstraZeneca Sweden in late 2004. He is currently team leader in computational chemistry within the Discovery Sciences, Chemistry Innovation Centre. His research interests include cheminformatics, molecular modeling, phenotypic screening, target deconvolution, and open innovation. He is currently Associate Director in MolecularAI within the Discovery Sciences, Hit Discovery department. His research interests include Artificial intelligence, Machine learning in particular deep learning, Cheminformatics, Molecular modelling and Open Innovation.

 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 has since then been the lead-developer and researcher on the AiZynth platform for AI-assisted retrosynthesis planning. His 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.