Intelligent Biomaterialomics: Molecular Design, Manufacturing, and Biomedical Applications

Abstract Materialomics integrates experiment, theory, and computation in a high‐throughput manner, and has changed the paradigm for the research and development of new functional materials. Recently, with the rapid development of high‐throughput characterization and machine‐learning technologies, the establishment of biomaterialomics that tackles complex physiological behaviors has become accessible. Breakthroughs in the clinical translation of nanoparticle‐based therapeutics and vaccines have been observed. Herein, recent advances in biomaterials, including polymers, lipid‐like materials, and peptides/proteins, discovered through high‐throughput screening or machine learning‐assisted methods, are summarized. The molecular design of structure‐diversified libraries; high‐throughput characterization, screening, and preparation; and, their applications in drug delivery and clinical translation are discussed in detail. Furthermore, the prospects and main challenges in future biomaterialomics and high‐throughput screening development are highlighted.