I am best known for my expertise in quantum chemical methods which focus on overcoming challenges in drug discovery, from drug metabolism to physical stability of crystalline material. In my current role, I drive the digital transformation of Pharmaceutical Sciences.

Since joining the Pharmaceutical Sciences leadership team in 2016, I have established several prominent external collaborations and successfully introduced predictive tools to various R&D projects. This includes computational methods that predict risk posed by drug degradation and chemical and physical properties of compounds in development.

I have a PhD in Physical Chemistry from the University of Gothenburg and I began my industry career at Volvo Cars. Here, I led the acquisition of one of the fastest supercomputers in the world, used for simulation in the automotive industry.

I have published over 45 peer reviewed articles, and am frequently invited to speak at scientific conferences worldwide.


It is exciting to see the growing role of AI across drug discovery and development at AstraZeneca. In Pharmaceutical Sciences our predictive models for synthesis, stability, and distribution of drugs may eventually translate to improved dosing and efficacy during treatment. In the future, the ultimate beneficiary of the technological advances will be the patient.

Anders Broo Head of Data Science and Modelling, Pharmaceutical Sciences, R&D


Head of Data Science and Modelling, Pharmaceutical Sciences, R&D


Key speaker at the event New Updates in Drug Formulation & Bioavailability discussing Predictive modelling and AI/ML in drug discovery and development at AstraZeneca


Appointed to the Industry advisory board for the Wallenberg Center for Quantum Technology and on the EU quantum technology flagship - Open SuperQ


Appointed Predictive Science Implementation Leader in Pharmaceutical Development at AstraZeneca

Featured publications

Prediction of drug candidates’ sensitivity towards autoxidation; computational estimation of C-H dissociation energies of carbon centered radicals.

Emma Evertsson, Thomas Andersson, Anders Broo, J. Pharm. Sci. 103, (2014), 1949.

Transferable Force Field for Crystal Structure Predictions

Anders Broo, Sten O. Nilsson Lill, submitted to special issue on crystal structure predictions Acta Cryst B75 (2016), 460-476.

State-of-the-art Tools for computational Site of metabolism Predictions: Comparative analysis, mechanistical insights and future applications

Lovisa Afzelius, Catrin Hasselgren Arnby, Anders Broo, Lars Carlsson, Christine Isaksson, Ulrik Jurva, Britta Kjellander, Karin Kolmodin, Kristina Nilsson, Florian Raubacher, Lars Weidolf, Drug Review Metabolism 39, (2007) 61-86.

A Theoretical investigation of physical reason for the very different luminescence properties of the two isomers adenine and 2-aminopurine

A. Broo. J. Phys. Chem. A, 102, (1998), 526.

Diasterometric DNA-Binding Geometries of Intercalated Ruthenium(II) Trischelates Probed by Linear Dichroism: [Ru(phen)2DPPZ]2+ and [Ru(phen)2BDPPZ]2+

P. Lincoln, A. Broo and B. Nordén, J. Am. Chem. Soc. 118, (1996), 2644.