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GexMolGen: cross-modal generation of hit-like molecules via large language model encoding of gene expression signatures.

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第一作者： Jiabei,Cheng

第一单位： Department of Automation, School of Electronic Information and Electrical Engineering, Shanghai Jiao Tong University, 800 Dongchuan Road, Minhang District, Shanghai 200240, China.

作者： Jiabei,Cheng ^[1] ; Xiaoyong,Pan ^[1] ; Yi,Fang ^[1] ; Kaiyuan,Yang ^[1] ; Yiming,Xue ^[1] ; Qingran,Yan ^[2] ; Ye,Yuan ^[3]

作者单位： Department of Automation, School of Electronic Information and Electrical Engineering, Shanghai Jiao Tong University, 800 Dongchuan Road, Minhang District, Shanghai 200240, China. ^[1] Department of Rheumatology, Ren Ji Hospital, Shanghai Jiao Tong University School of Medicine, No. 1630 East Road, Pudong New Area, Shanghai 200127, China. ^[2] Department of Automation, School of Electronic Information and Electrical Engineering, Shanghai Jiao Tong University, 800 Dongchuan Road, Minhang District, Shanghai 200240, China.;Key Laboratory of Biopharmaceutical Preparation and Delivery, Chinese Academy of Sciences, 1 North 2nd Street, Zhongguancun, Haidian District, Beijing 100190, PR China.;State Key Laboratory of Biochemical Engineering, Institute of Process Engineering, Chinese Academy of Sciences, 1 North 2nd Street, Zhongguancun, Haidian District, Beijing 100190, PR China. ^[3]

关键词 cross-modal generation de novo molecule design gene expression signatures large language model

医学主题词药物发现(Drug Discovery);人类(Humans);软件(Software);算法(Algorithms);基因表达谱(Gene Expression Profiling);计算生物学(Computational Biology)

DOI 10.1093/bib/bbae525

PMID 39470305

发布时间 2024-10-31

基金项目

62103262/National Natural Science Foundation of China 21PJ1407700/Shanghai Pujiang Programme

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