Accelerated drug development using a digital formulator and a self-driving tableting data factory

Advances in drug discovery and clinical research have shifted the bottleneck in medicines development to chemistry, manufacturing, and controls activities, a critically step for regulatory approval. This includes formulation and process development of a new drug product, which traditionally requires extensive resources, often leading to suboptimal outcomes. These development processes must adapt to follow the advances in drug discovery and clinical research and ultimately shorten timelines while ensuring product quality and safety. In this work, we present an integrated platform for tablet formulation and process development that couples a digital formulator, an in-silico optimisation tool using a predictive material-to-tablet model, with a self-driving tableting data factory, which applies Bayesian optimisation within an automated, fully integrated per-tablet manufacturing to testing workflow. The results demonstrate a reduction in the time from material characterisation to in-specification tablets to 6 h and a reduction in API material use by 65% compared to current state-of-the-art methods.

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Publication Details

Journal
Nature Communications
Published
2026-04-01
DOI
https://doi.org/10.1038/s41467-026-71204-6
Citations
2
Primary Topic
Computational Drug Discovery Methods
Type
article
Field-Weighted Citation Impact
51.86

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article

Accelerated drug development using a digital formulator and a self-driving tableting data factory

Gavin Reynolds, Mohammad Salehian, Alastair J. Florence, Alexandru A. Moldovan et al.
2 citations
Nature Communications
Computational Drug Discovery Methods
51.86
article

Accelerated drug development using a digital formulator and a self-driving tableting data factory

Gavin Reynolds, Mohammad Salehian, Alastair J. Florence, Alexandru A. Moldovan, Jérôme Mantanus, Daniel Markl, Victor Portela, Jean-Jacques Schwartz, Paul Chapman, Jonathan Moores, Theo Tait, Jonathan Goldie, Quentin Boulay, Ashley Stark, Alexandros Tsioutsios, Roland Thiolliere, Andrew G.P. Maloney, Catriona Clark, Peter Hou, Faisal Abbas, Jerome Guerin
article en
2 citations

Abstract

Advances in drug discovery and clinical research have shifted the bottleneck in medicines development to chemistry, manufacturing, and controls activities, a critically step for regulatory approval. This includes formulation and process development of a new drug product, which traditionally requires extensive resources, often leading to suboptimal outcomes. These development processes must adapt to follow the advances in drug discovery and clinical research and ultimately shorten timelines while ensuring product quality and safety. In this work, we present an integrated platform for tablet formulation and process development that couples a digital formulator, an in-silico optimisation tool using a predictive material-to-tablet model, with a self-driving tableting data factory, which applies Bayesian optimisation within an automated, fully integrated per-tablet manufacturing to testing workflow. The results demonstrate a reduction in the time from material characterisation to in-specification tablets to 6 h and a reduction in API material use by 65% compared to current state-of-the-art methods.

Nature Communications
Glasgow School of Art (GB), University of Strathclyde (GB), Cambridge Crystallographic Data Centre (GB), AstraZeneca (Singapore) (SG), AstraZeneca (Poland) (PL), Maillefer (Switzerland) (CH), UCB Pharma (Belgium) (BE)
Engineering and Physical Sciences Research Council
Openalex Percentile: Top 0%
Computational Drug Discovery Methods
51.86
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