Nanodrug delivery systems (NDDS) have demonstrated outstanding performance in drug delivery due to their efficient delivery capacity, targeting ability, and biocompatibility. However, the development of nanomedicines still heavily relies on the expertise of formulation scientists and extensive trial-and-error experiments. Despite the abundance of data in nanoscience, traditional biological research often struggles to effectively process, analyze, and utilize these datasets, limiting nanomedicine studies to a “one-to-one” approach. Against this backdrop, the rapid growth of artificial intelligence (AI) and machine learning (ML) offers a new paradigm for nanomedicine research. Unlike traditional statistical analyses and mathematical models, AI and ML provide deeper insights into big data, enhancing the efficiency of nanomedicine development while steering the field toward more intelligent and more precise research approaches. This review focuses on milestone studies that use ML to reshape nanomedicine research from a pharmaceutics perspective, highlighting how data-driven ML models can guide new directions in nanomedicine development.

Nanomedicine  /  Machine learning  /  Deep learning  /  Artificial intelligence  /  Nanoinformatics  /  Data science  /  Drug delivery systems  /  Pharmaceutics