AI-driven biomaterial design: an intelligent closed loop from reverse design to biological response
Minglei Liu, Yichuan Zhou, Xiaohan Mei, Zehao Yu, Boyun Guan, Yi Xiao, S S Liu, Hao Wang, Yanguo Qin
Abstract
Traditional approaches to biomaterial design face numerous challenges, including high trial-and-error costs, long development cycle, and the difficulty in deciphering the complex relationship between material properties and biological responses. With the rise of artificial intelligence (AI) technology, its capabilities in processing high-dimensional data and constructing complex mapping relationships have brought revolutionary changes to biomaterial design. This article reviews the four core applications of AI in the design of biomaterials. Firstly, based on the therapeutic needs of diseases, the functions of materials are clarified and formulations are generated. Secondly, high-throughput prediction and virtual screening of material properties using AI models significantly reduce development costs. Furthermore, the performance of materials and production efficiency can be enhanced by optimizing material formulas and processing techniques through AI. Finally, AI is used to predict the interaction between materials and cells or tissues, and to assess the safety and efficacy of the materials. This paper systematically explores how AI empowers biomaterial design, driving its advancement toward precision and intelligence, thereby providing robust support for the realization of personalized and precision medicine.