TuNa-AI: a hybrid kernel machine to design tunable nanoparticles for drug delivery

18 March 2025, Version 1
This content is a preprint and has not undergone peer review at the time of posting.

Abstract

Artificial intelligence (AI) stands to accelerate the development of nanoparticles for drug delivery, but current methodologies either focus on the identification of materials or adjusting of relative ratios of multi-component systems. Here, we developed a bespoke hybrid kernel machine integrating molecular learning and relative composition inference to engineer nanoparticles with new components and tunable composition. Our approach identified nanoformulations that encapsulate previously inaccessible drugs and can also guide excipient reduction.

Keywords

machine learning
nanoparticle drug delivery
kernel machine

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