个人简介：

董界，博士/特聘副教授/硕士生导师，2012年本科毕业于中南大学，2017年博士毕业于中南大学湘雅药学院药物化学系。2019年5月获批澳门大学“濠江博士后”计划，于澳门大学“中药质量研究国家重点实验室”进行博士后研究工作，2021年6月进入中南大学湘雅药学院工作。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Research, Chem Eng J 及Brief Bioinform等期刊发表SCI论文50余篇，其中多篇发表于领域内TOP期刊，被引用超过2000次。已发表10多个计算平台和数据库，获得多项软件著作权和专利。主持国家自然科学青年基金1项，湖南省自然科学青年基金1项，参与国家重点研发计划、国家自然科学基金多项。荣获湖南省优秀博士学位论文，入选湖南省青年骨干教师，2023年入选全球前2%顶尖科学家榜单。担任Asian Journal of Pharmaceutical Sciences杂志青年编委，另担任Frontiers in Bioengineering and Biology客座编辑以及Journal of Cheminformatics, Briefings in bioinformatics，Journal of Advanced Research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 药物研发中的计算平台及数据库的开发。

近期主要论文：

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 McGibbon M^#, Shave S^#, Dong J^#, et al. From intuition to AI: evolution of small molecule representations in drug discovery. Briefings in bioinformatics, 2024, 25(1), 1-13

l Huang S, Feng B, Cheng X, Huang X, Ding J, Yu K, Dong J*, Zeng WB*. 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 Zhu Y, Qian J, Yu K, Hou J, Ma Y, Chen F, Dong J*, Zeng WB*. Intelligent design and construction of novel APN-based theranostic probe driven by advanced computational methods. Chinese Chemical Letters. 2023:108948. (Top期刊)

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

l Mao J S, Guan S H, Chen Y Q, Zeb A, Sun Q X, Lu R L, Dong J*, Wang J M*, Cao D S*. Application of a deep generative model produces novel and diverse functional peptides against microbial resistance. Computational and Structural Biotechnology Journal, 2023,21: 463-471.

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 Zhang L X^#, Dong J^#, Wei H, et al. TCMSID: a simplified integrated database for drug discovery from traditional Chinese medicine. Journal of Cheminformatics, 2022, 14(1): 1-11

l Yang Z F, Xiao R, Xiong G L, Lin Q L, Liang Ying, Zeng W B, Dong J*, Cao D S*. A novel multi-layer prediction approach for sweetness evaluation based on systematic machine learning modeling. Food Chemistry, 2022, 372: 131249. (TOP期刊)

l Qian J, Song F L, Liang R, Wang X J, Liang Y, Dong J*, Zeng W B. NOAEL prediction and explanation by systematic comparison of different machine learning methods and descriptors. Food and Chemical Toxicology, 2022, 168: 113325. (TOP期刊)

l Yang ZY^#, Dong J^#, Yang ZJ, et al. ChemFLuo: a web-server for structure analysis and identification of fluorescent compounds. Briefings in Bioinformatics. 2020. (IF: 13.994)

l Dong J, Zhu M F, Yun Y H, et al. BioMedR: An R/CRAN package for integrated data analysis pipeline in biomedical study. Briefings in Bioinformatics. 2019. (IF: 13.994)

l Dong J, Yao Z J, 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 N^#, Yao Z J, 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 S, Miao H Y, 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