Artificial Intelligence-Driven Development and Characterization of Nanomedicine

Abstract

Nanomedicine has enabled major advances in targeted therapeutics by improving drug bioavailability, precision delivery, and safety profiles. However, the rational design and reproducible synthesis of nanoparticles with tightly controlled physicochemical attributes such as size, morphology, and surface characteristics remain significant challenges due to the complex, nonlinear interplay of formulation and process parameters. Artificial intelligence (AI) and machine learning (ML) have emerged as powerful tools to address these limitations by enabling data-driven optimization, predictive modeling, and automated analysis across nanoparticle synthesis and characterization workflows. Recent advances demonstrate that AI-based models can accurately predict nanoparticle properties, optimize synthesis conditions, interpret high-dimensional characterization data, and forecast biological performance, thereby reducing experimental burden and accelerating translation. This review critically examines current AI and ML strategies applied to nanoparticle synthesis, optimization of key physicochemical attributes, characterization, and biological evaluation for nanomedicine applications. Emphasis is placed on comparative model performance, integration of experimental and computational pipelines, and emerging challenges related to data quality, interpretability, and generalizability. Collectively, this work highlights the transformative potential of AI-enabled nanotechnology while outlining key directions required for its reliable clinical translation. Automated Synthesis Platforms: Integrating AI and ML for Next-Generation Nanomaterials