Owing to their nanoscale dimensions, well-defined atomic structure, and elevated specific surface area, clusters have emerged as a novel therapeutic platform for neurological disorders. However, efficiently and rationally designing functionalized clusters capable of specifically recognizing and modulating key disease targets remains a major difficulty. The rapid advancement of artificial intelligence (AI) technology offers a revolutionary solution to this bottleneck. By integrating deep learning, generative models, and multi-omics big data, AI can mine vast amounts of biomedical and chemical information with unprecedented speed and precision. It will drive transformative innovations in rational design of clusters, precise modulation of enzymatic activity, and high-throughput screening of therapeutic targets for neurological disorders.
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2025 The Author(s). Journal of Intelligent Medicine published by John Wiley & Sons Australia, Ltd on behalf of Tianjin University.