Yuan Xiao, Yang Xiaobo, Pan Qiyuan, Luo Cheng, Luan Xin, Zhang Hao. Artificial Intelligence in Natural Products Research[J]. Chinese Journal of Natural Medicines. DOI: 10.1016/S1875-5364(25)60902-2
Citation: Yuan Xiao, Yang Xiaobo, Pan Qiyuan, Luo Cheng, Luan Xin, Zhang Hao. Artificial Intelligence in Natural Products Research[J]. Chinese Journal of Natural Medicines. DOI: 10.1016/S1875-5364(25)60902-2

Artificial Intelligence in Natural Products Research

  • Artificial intelligence (AI) is increasingly emerging as a pivotal technology in accelerating drug discovery and development in the field of natural medicines. Natural medicines, with their diverse chemical compositions and complex pharmacological mechanisms, are widely used in the treatment of various diseases. However, challenges such as complex components, difficult extraction processes, and unclear efficacy often arise during research and development. Through technologies such as deep learning and machine learning, AI technology can efficiently analyze vast amounts of data, thereby accelerating drug screening, component analysis, and pharmacological mechanism studies. AI technology holds significant promise in virtual screening, compound optimization, and synthetic pathway design, enhancing both the bioavailability and safety of natural medicines. Nonetheless, challenges related to data quality, model interpretability, and ethical concerns remain in current applications. With the ongoing advancement of AI technologies, the research and development of natural medicines will become increasingly efficient and precise, providing new impetus for personalized medicine and modern drug development.
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