Insights into the use of artificial intelligence in the drug discovery and delivery of nanosystems for the treatment of infectious diseases and neoplasms.

Artificial Intelligence (AI) has become a fundamental driver of scientific progress, particularly in disease diagnosis, drug development, and drug delivery optimization. The intersection of AI, drug design, and nanosystems for delivery is accelerating the advancement of personalized nanomedicines and innovative diananostic and therapeutic approaches. This narrative review explores the integration of nanotechnology and AI in healthcare, with emphasis on cancer treatment, drug discovery, antimicrobials, and nanotoxicology. Based on studies published between 2020 and 2025, the analysis highlights AI applications in molecular profiling, predictive models for antimicrobial resistance, and nanomaterial safety assessments. In oncology, AI combined with high-performance computing enables detailed molecular profiling, supporting personalized cancer therapies. Machine learning models are also applied to the design of antimicrobial drugs, prediction of antibacterial efficacy, and strategies to counter resistant strains. Furthermore, AI plays a critical role in nanotoxicology, predicting adverse effects of nanomaterials and interpreting complex toxicological data. The convergence of AI and nanotechnology is revolutionizing healthcare by providing more accurate diagnostics, tailored treatments, and improved safety evaluations. AI-driven models enhance drug discovery, optimize delivery systems, and strengthen toxicological assessments. However, continued research is necessary to refine these technologies and ensure their effective translation into clinical practice.