Dr 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 leads 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.
Ola's main research interests are deep learning based molecular de novo design, synthetic route prediction and large scale molecular property predictions. He has published over 100 peer-reviewed scientific publications. He is adjunct professor in machine learning and AI for drug design at Chalmers University of Technology.
Chen, Hongming, et al. "The rise of deep learning in drug discovery." Drug discovery today 23.6 (2018): 1241-1250.
Olivecrona, Marcus, et al. "Molecular de-novo design through deep reinforcement learning." Journal of cheminformatics 9.1 (2017): 1-14.
March-Vila, Eric, et al. "On the integration of in silico drug design methods for drug repurposing." Frontiers in pharmacology 8 (2017): 298.
Tetko, Igor V., et al. "BIGCHEM: challenges and opportunities for big data analysis in chemistry." Molecular informatics 35.11-12 (2016): 615-621.