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Updated: May 10, 2026

Drug Repurposing Hypothesis Generation Using the "RE:fine Drugs" System
Published on: December 11, 2016
Model-based drug discovery: implementation and impact
Sandra A G Visser1, Malin Aurell, Rhys D O Jones
1Global Drug Metabolism and Pharmacokinetics, Innovative Medicines, AstraZeneca, Södertälje, Sweden.
Abstract:
Model-based drug discovery (MBDDx) aims to build and continuously improve the quantitative understanding of the relation between drug exposure (target engagement) efficacy and safety, to support target validation; to define compound property criteria for lead optimization and safety margins; to set the starting dose; and to predict human dose and scheduling for clinical candidates alone, or in combination with other medicines. AstraZeneca has systematically implemented MBDDx within all drug discovery programs, with a focused investment to build a preclinical modeling and simulation capability and an in vivo information platform and architecture, the implementation, impact and learning of which are discussed here.
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