articleAdvanced Drug Delivery ReviewsJan 22, 2026HYBRID OA

Artificial intelligence and machine learning guided optimization in drug delivery

University College London · Medway School of Pharmacy

PubMed
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Abstract

The optimisation of drug delivery systems is a complex, multidimensional challenge involving the interplay of formulation composition, process parameters, and biological performance. Traditional empirical and statistical approaches are increasingly limited by the high dimensionality, nonlinearity, and multi-objective nature of modern drug delivery problems. In this review, we explore how artificial intelligence (AI) and machine learning (ML) are transforming formulation science by enabling data-driven, adaptive, and efficient optimisation strategies. We provide a conceptual and practical overview of ML-guided optimisation workflows, including surrogate modelling, Bayesian optimisation, active learning, and…

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12
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FWCI
132.62
Percentile
100%
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105
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Authors

4

Topics & keywords

Keywords
  • Interpretability
  • Drug delivery
  • Process (computing)
  • Bayesian optimization
  • Applications of artificial intelligence
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