AI-Empowered Chemical Biology

: With the developments of algorithms, computing power, and big data, artificial intelligence (AI) has achieved remarkable progress in recent years. Benefiting from pioneering AI applications in the fields of chemistry and life sciences, AI is becoming a powerful tool for chemical biology research, demonstrating the potential and capability to integrate disciplines and technologies, and to transform the paradigms of chemical biology research. This article systematically reviews the applications of AI in five key areas over recent years: biological imaging and spectroscopic analysis, the structure and function prediction of biomacromolecules, drug discovery, precision medicine, and green biomanufacturing, showcasing the driving force of AI in advancing chemical biology research. Finally, considering the current limitations of AI technology and the bottlenecks in chemical biology research, the article discusses the challenges and future directions for AI's empowerment in the field of chemical biology.