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April 18, 2026Advanced Intelligent Discovery1 citationsOpen Access

Autonomous AI‐Driven Design for Skin Product Formulations

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YZYu ZhangUniversity of SurreyYXYongrui XiaoUniversity of SurreyCCChunlin ChenUniversity of Surrey

Key Points

  • The aim is to improve skin product formulation efficacy using autonomous design methods.
  • Reviewed existing formulation design challenges and technologies.
  • Outlined a closed-loop framework for autonomous formulation processes.
  • Surveyed enabling technologies, including automation and AI.
  • Proposed a workflow for model generalisation and uncertainty quantification.
  • Demonstrated potential for faster formulation development through automation.
  • Highlighted the benefits of using AI for intelligent candidate generation.
  • Emphasized the importance of cross-tier calibration for consistent outcomes.

Abstract

Formulating effective skin products requires navigating complex chemical mixtures,skin biophysical and biochemical properties and manufacturing processes, all under budgetary and time constraints. Controlling dermal permeation, a key driver of efficacy, often presents the primary development bottleneck. Conventional development methods are slow, hampered by low‐throughput, variable test assays (e.g., in vitro release and permeation testing) and limited access to biologically relevant in vitro skin models. This review argues for a shift towards autonomous, assay‐aware formulation design, outlining a closed‐loop framework that unifies intelligent candidate generation, automated experiment selection and robust analysis across a skin‐specific multi‐tiered assay strategy. The foundations of barrier transport and formulation behaviour are first synthesised. Key enabling technologies are then systematically surveyed, including automation technologies (e.g., microfluidic and modular platforms), automated analytics (e.g., chromatographic pipelines, auto‐sampling for diffusion cells) and artificial intelligence (e.g., hybrid mechanistic/data‐driven surrogates and constraint‐aware active learning). Building upon this foundation, a practical framework is discussed that foregrounds cross‐tier calibration between rapid screens and pivotal assay endpoints. Its workflow centres on model generalisation, uncertainty quantification and robust system orchestration. The goal is to provide a credible path towards faster, more reproducible and acceptance criteria‐aligned decisions for skin product formulation efficacy.

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Cite This Study

Zhang et al. (2026) studied this question.

synapsesocial.com/papers/69e3211640886becb65403d8https://doi.org/10.1002/aidi.202500239
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