About the Authors

Anika Liu

Roles Conceptualization, Data curation, Formal analysis, Investigation, Methodology, Software, Visualization, Writing – original draft, Writing – review & editing

al862@cam.ac.uk (AL); ab454@cam.ac.uk (AB)

Affiliations Milner Therapeutics Institute, University of Cambridge, Cambridge, United Kingdom, Systems Modelling and Translational Biology, Data and Computational Sciences, GSK, London, United Kingdom, Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, United Kingdom

Namshik Han

Roles Supervision, Writing – review & editing

Affiliations Milner Therapeutics Institute, University of Cambridge, Cambridge, United Kingdom, Cambridge Centre for AI in Medicine, Department of Applied Mathematics and Theoretical Physics, University of Cambridge, Cambridge, United Kingdom

Jordi Munoz-Muriedas

Roles Supervision, Writing – review & editing

Affiliations Systems Modelling and Translational Biology, Data and Computational Sciences, GSK, London, United Kingdom, Computer-Aided Drug Design, UCB, Slough, United Kingdom

Andreas Bender

Roles Supervision, Writing – review & editing

al862@cam.ac.uk (AL); ab454@cam.ac.uk (AB)

Affiliation Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, United Kingdom

Competing Interests

I have read the journal’s policy and the authors of this manuscript have the following competing interests: AL received funding from GlaxoSmithKline and is a consultant at PharmEnable Ltd. JM was an employee of GlaxoSmithKline throughout the study and is now an employee at UCB. NH is a cofounder of KURE.ai and CardiaTec Biosciences. AB is a shareholder of Healx Ltd. and PharmEnable Ltd., and CSO at Terra Lumina.