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A review of transformer models in drug discovery and beyond

Jian Jiang Guo-Wei Wei Long Chen Lu Ke Bozheng Dou Chunhuan Zhang Hongsong Feng Yueying Zhu Huahai Qiu Bengong Zhang

药物分析学报（英文）2025，Vol.15Issue(6)：1187-1201,15.

药物分析学报（英文）2025，Vol.15Issue(6)：1187-1201,15.DOI:10.1016/j.jpha.2024.101081

A review of transformer models in drug discovery and beyond

Jian Jiang ¹Guo-Wei Wei ²Long Chen ³Lu Ke ³Bozheng Dou ³Chunhuan Zhang ³Hongsong Feng ⁴Yueying Zhu ³Huahai Qiu ³Bengong Zhang³

作者信息

1. Research Center of Nonlinear Science,School of Mathematical and Physical Sciences,Wuhan Textile University,Wuhan,430200,China||Department of Mathematics,Michigan State University,East Lansing,MI,48824,USA
2. Department of Mathematics,Michigan State University,East Lansing,MI,48824,USA||Department of Electrical and Computer Engineering,Michigan State University,East Lansing,MI,48824,USA||Department of Biochemistry and Molecular Biology,Michigan State University,East Lansing,MI,48824,USA
3. Research Center of Nonlinear Science,School of Mathematical and Physical Sciences,Wuhan Textile University,Wuhan,430200,China
4. Department of Mathematics,Michigan State University,East Lansing,MI,48824,USA
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摘要

关键词

Transformer/Drug discovery/Chemical language understanding/Molecular dynamics/Protein design

Key words

Transformer/Drug discovery/Chemical language understanding/Molecular dynamics/Protein design

引用本文复制引用

Jian Jiang,Guo-Wei Wei,Long Chen,Lu Ke,Bozheng Dou,Chunhuan Zhang,Hongsong Feng,Yueying Zhu,Huahai Qiu,Bengong Zhang..A review of transformer models in drug discovery and beyond[J].药物分析学报（英文）,2025,15(6):1187-1201,15.

基金项目

This work was supported in part by National Institute of Health(NIH),USA(Grant Nos.:R01GM126189,R01AI164266,and R35GM148196),the National Science Foundation,USA(Grant Nos.DMS2052983,DMS-1761320,and IIS-1900473),National Aero-nautics and Space Administration(NASA),USA(Grant No.:80NSSC21M0023),Michigan State University(MSU)Foundation,USA,Bristol-Myers Squibb(Grant No.:65109),USA,and Pfizer,USA.The work of Jian Jiang and Bengong Zhang was supported by the National Natural Science Foundation of China(Grant Nos.:11971367,12271416,and 11972266).We appreciate Mr.Benjamin Jones for improving the English writing. （NIH）

药物分析学报（英文）

ISSN：2095-1779

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