AstraZeneca Supervisors

Ola Engkvist

Professor Ola Engkvist is head of Molecular AI in Discovery Sciences, AstraZeneca R&D. He did his PhD in computational chemistry at Lund University followed by a postdoc at Cambridge University. After working for two biotech companies he joined AstraZeneca in 2004. He currently lead the Molecular AI department, where the focus is to develop novel methods for ML/AI in drug design , productionalize the methods and apply the methods to AstraZeneca’s small molecules drug discovery portfolio. His main research interests are deep learning based molecular de novo design, synthetic route prediction and large scale molecular property predictions. He has published over 140 peer-reviewed scientific publications. He is adjunct professor in machine learning and AI for drug design at Chalmers University of Technology and a trustee of Cambridge Crystallographic Data Center. 

Dr. Mikhail Kabeshov is currently is a principal scientist at the MolecularAI department leading initiatives focused at chemical reactivities and forward reaction prediction. He has extensive experience in applied quantum chemistry, machine learning, scientific programming, medicinal chemistry and chemical synthesis automation as well as supervising MSc and PhD students.