个人简介：

董界，博士，中南大学特聘副教授/硕士生导师/升华学者（优青岗），湖南省青年骨干教师，湖南省芙蓉计划青年人才，澳门濠江人才计划（博士后），全球前2%顶尖科学家。主要研究领域涉及：基于人工智能的分子设计，包括新型抗癌抗菌等活性分子设计与筛选，智能诊疗试剂开发，新型生物医学材料设计与筛选等；药物研发中的计算平台及数据库的开发，包括小分子、多肽药物ADMET性质预测，智能药物递送，智能诊疗分子性质预测等平台的开发。在Adv Sci, Research, Chem Eng J 及Brief Bioinform等期刊发表SCI论文80余篇，其中多篇发表于领域内TOP期刊，被引用超过3500次。已发表20多个计算平台/数据库/工具，获得多项软件著作权和专利。主持美国中华医学会（CMB OC）项目，国家自然科学基金项目，湖南省自然科学基金，湖南省重点研发计划（子课题），教育部产学研创新基金等多个科研项目。参与国家重点研发计划、国家自然科学基金多项。担任湖南省数字医学学会糖尿病数字疗法分会常务委员，担任Asian J Pharm Sci（IF：10.4），Exploration杂志青年编委， 以及Adv Sci, J Adv Res, J Med Chem, J Cheminformatics等20多个SCI期刊审稿专家。

主要研究方向：

l 基于人工智能的活性分子设计与筛选；

l 药物研发中智能计算平台及数据库的开发。

近期主要论文：

l Huang W, Huang S, Fang Y, Zhu T, Chu F, Liu Q, Yu K, Chen F, Dong J*, Zeng W*. AI‐Powered Mining of Highly Customized and Superior ESIPT‐Based Fluorescent Probes[J]. Advanced Science, 2024, 11(35): 2405596. (综合类Top期刊，IF：14.3)

l Fang Y, Fan D, Feng B, Zhu Y, Xie R, Tan X, Liu Q, Dong J*, Zeng W*. Harnessing advanced computational approaches to design novel antimicrobial peptides against intracellular bacterial infections[J]. Bioactive Materials, 2025, 50: 510-524. (医学Top期刊，IF：18)

l Wang N, Dong J*, Ouyang D*. AI-directed formulation strategy design initiates rational drug development[J]. Journal of Controlled Release, 2025, 378: 619-636. (药学Top期刊，IF：10.5)

l Fang Y, Ma Y, Yu K, Dong J*, Zeng W*. Integrated computational approaches for advancing antimicrobial peptide development[J]. Trends in Pharmacological Sciences, 2024. (药学Top期刊，IF：13.9)

l Huang S, Feng B, Cheng X, Huang X, Ding J, Yu K, Dong J*, Zeng W*. Controlling ESIPT-based AIE effects for designing optical materials with single-component white-light emission. Chemical Engineering Journal. 2023; 476:146436. (Top期刊，IF：15.1)

l J Dong, J Qian, K Yu, et al. Rational Design of Organelle-Targeted Fluorescent Probes: Insights from Artificial Intelligence. Research, 2023, 6: 0075. (综合类Top期刊，IF: 11.036)

l Zhu Y, Qian J, Yu K, Hou J, Ma Y, Chen F, Dong J*, Zeng W*. Intelligent design and construction of novel APN-based theranostic probe driven by advanced computational methods. Chinese Chemical Letters. 2023:108948. (Top期刊, IF: 9.4)

l Qian J, Wang X, Song F, Liang Y, Zhu Y, Fang Y, Zeng W, Zhang D, Dong J*. ChemSweet: An AI-driven computational platform for next-gen sweetener discovery[J]. Food Chemistry, 2025, 463: 141362. (食品Top期刊，IF：8.5)

l Tan X, Liu Q, Fang Y, Yang S, Chen F, Wang J, Ouyang D, Dong J*, Zeng W*. Introducing enzymatic cleavage features and transfer learning realizes accurate peptide half-life prediction across species and organs[J]. Briefings in Bioinformatics, 2024, 25(4): bbae350.

l Dong J, Wu Z, Xu H L, Ouyang D. FormulationAI: a novel web-based platform for drug formulation design driven by artificial intelligence. Briefings in bioinformatics 2024, 25(1), 1–10

l Dong J, Varbanov M, Philippot S, et al. Ligand-based discovery of coronavirus main protease inhibitors using MACAW molecular embeddings. Journal of Enzyme Inhibition and Medicinal Chemistry, 2023, 38(1): 24-35.

l Yang Z^#, Dong J^#, Yang Z, et al. ChemFLuo: a web-server for structure analysis and identification of fluorescent compounds. Briefings in bioinformatics, 2021, 22(4): bbaa282. (IF: 13.994)

l Dong J, Zhu M, Yun Y, et al. BioMedR: An R/CRAN package for integrated data analysis pipeline in biomedical study. Briefings in bioinformatics, 2021, 22(1): 474-484. (IF: 13.994)

l McGibbon, M.^#, Shave, S. ^#, Dong, J. ^#, Gao, Y., Houston, D. R., Xie, J., Yang, Y., Schwaller, P., & Blay, V. (2023). From intuition to AI: evolution of small molecule representations in drug discovery. Briefings in bioinformatics, 25(1), bbad422. (ESI高被引)

l Dong J, Yao Z, Zhang L, et al. PyBioMed: a python library for various molecular representations of chemicals, proteins and DNAs and their interactions [J]. Journal of Cheminformatics, 2018, 10(1): 16. (ESI高被引)

l Dong J^#, Wang N^#, Yao Z, et al. ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database[J]. Journal of Cheminformatics, 2018, 10(1): 29. (ESI高被引)

l Dong J, Cao D, Miao H, et al. ChemDes: an integrated web-based platform for molecular descriptor and fingerprint computation[J]. Journal of Cheminformatics, 2015, 7(1): 1-10. (ESI高被引)

联系方式：

Google scholar: https://scholar.google.com/citations?user=phFGEecAAAAJ&hl=zh-CN

Website: http://www.ddai.tech

E-mail: jiedong@csu.edu.cn