人工智能在药学领域中的应用

Engineering ›› 2023, Vol. 27 ›› Issue (8) : 37 -69. DOI: 10.1016/j.eng.2023.01.014

研究论文

人工智能在药学领域中的应用

路明坤 ^a^,^c ,
殷佳依 ^a ,
朱奇 ^a ,
林高乐 ^a ,
牟敏杰 ^a ,
柳扶摇 ^a ,
潘子祺 ^a ,
游楠欣 ^a ,
廉希晨 ^a ,
李丰成 ^a ,
张洪宁 ^a ,
郑玲燕 ^a^,^c ,
张维 ^a ,
张瀚毓 ^a ,
沈子豪 ^b^,^d ,
顾臻 ^a ,
李洪林 ^b^,^d^,^e^,^* ,
朱峰 ^a^,^c^,^*

作者信息 +

Artificial Intelligence in Pharmaceutical Sciences

Mingkun Lu ^a^,^c ,
Jiayi Yin ^a ,
Qi Zhu ^a ,
Gaole Lin ^a ,
Minjie Mou ^a ,
Fuyao Liu ^a ,
Ziqi Pan ^a ,
Nanxin You ^a ,
Xichen Lian ^a ,
Fengcheng Li ^a ,
Hongning Zhang ^a ,
Lingyan Zheng ^a^,^c ,
Wei Zhang ^a ,
Hanyu Zhang ^a ,
Zihao Shen ^b^,^d ,
Zhen Gu ^a ,
Honglin Li ^b^,^d^,^e^,^* ,
Feng Zhu ^a^,^c^,^*

Author information +

文章历史 +

Received	Accepted	Published
2022-09-30	2023-01-06
Issue Date
2024-06-13

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Abstract

Drug discovery and development affects various aspects of human health and dramatically impacts the pharmaceutical market. However, investments in a new drug often go unrewarded due to the long and complex process of drug research and development (R&D). With the advancement of experimental technology and computer hardware, artificial intelligence (AI) has recently emerged as a leading tool in analyzing abundant and high-dimensional data. Explosive growth in the size of biomedical data provides advantages in applying AI in all stages of drug R&D. Driven by big data in biomedicine, AI has led to a revolution in drug R&D, due to its ability to discover new drugs more efficiently and at lower cost. This review begins with a brief overview of common AI models in the field of drug discovery; then, it summarizes and discusses in depth their specific applications in various stages of drug R&D, such as target discovery, drug discovery and design, preclinical research, automated drug synthesis, and influences in the pharmaceutical market. Finally, the major limitations of AI in drug R&D are fully discussed and possible solutions are proposed.