Artificial intelligence (AI) is transforming drug delivery by optimizing nanomedicine design and enhancing therapeutic precision. While drug delivery systems (DDSs) have improved drug selectivity and release kinetics, their development remains challenging due to the complexity of experimental data and limitations in high-throughput analysis. Scientists struggle to efficiently acquire, manage, and interpret large datasets, slowing the rational design of smart drug carriers. Artificial intelligence and machine learning address these challenges by automating data processing, optimizing formulations, and accelerating drug discovery. Artificial intelligence-driven models analyze biological datasets, predict drug interactions, and enhance nanoparticle stability, bioavailability, and targeting accuracy. Additionally, artificial intelligence facilitates real-time monitoring and adaptive drug release, improving therapeutic efficiency, and reducing costs. By integrating AI with nanomedicine, researchers can streamline drug development and advance precision medicine. This chapter reveals artificial intelligence’s role in revolutionizing DDSs, highlighting its impact on formulation design, process automation, and personalized drug delivery.