個(gè)人簡(jiǎn)介：

董界，博士，中南大學(xué)特聘副教授/博士生導(dǎo)師/升華學(xué)者（優(yōu)青崗），湖南省青年骨干教師，湖南省芙蓉計(jì)劃青年人才，澳門濠江人才計(jì)劃（博士后），全球前2%頂尖科學(xué)家。主要研究領(lǐng)域涉及：基于人工智能的分子設(shè)計(jì)，包括新型抗癌抗菌等活性分子設(shè)計(jì)與篩選，智能診療試劑開發(fā)，新型生物醫(yī)學(xué)材料設(shè)計(jì)與篩選等；藥物研發(fā)中的計(jì)算平臺(tái)及數(shù)據(jù)庫的開發(fā)，包括小分子、多肽藥物ADMET性質(zhì)預(yù)測(cè)，智能藥物遞送，智能診療分子性質(zhì)預(yù)測(cè)等平臺(tái)的開發(fā)。在Adv Sci, Research, Chem Eng J 及Brief Bioinform等期刊發(fā)表SCI論文80余篇，其中多篇發(fā)表于領(lǐng)域內(nèi)TOP期刊，被引用超過4200次。已發(fā)表30多個(gè)計(jì)算平臺(tái)/數(shù)據(jù)庫/工具，獲得多項(xiàng)軟件著作權(quán)和專利。主持美國(guó)中華醫(yī)學(xué)會(huì)（CMB OC）項(xiàng)目，國(guó)家自然科學(xué)基金項(xiàng)目，湖南省自然科學(xué)基金，湖南省重點(diǎn)研發(fā)計(jì)劃（子課題），教育部產(chǎn)學(xué)研創(chuàng)新基金等多個(gè)科研項(xiàng)目。參與國(guó)家重點(diǎn)研發(fā)計(jì)劃、國(guó)家自然科學(xué)基金多項(xiàng)。擔(dān)任湖南省數(shù)字醫(yī)學(xué)學(xué)會(huì)糖尿病數(shù)字療法分會(huì)常務(wù)委員，擔(dān)任Asian J Pharm Sci（IF：10.4），Exploration雜志青年編委， 以及Adv Sci, J Adv Res, J Med Chem, J Cheminformatics等20多個(gè)SCI期刊審稿專家。

主要研究方向：

l 基于人工智能的活性分子設(shè)計(jì)與篩選；

l 藥物研發(fā)中智能計(jì)算平臺(tái)及數(shù)據(jù)庫的開發(fā)。

近期主要論文：

l Huang S, Huang W, Fang Y, Zhu Y, Huang J, Chen F, Dong J*, Zeng W*. Interpretable Artificial Intelligence Decodes the Chemical Structural Essence of Twisted Intramolecular Charge Transfer and Planar Intramolecular Charge Transfer Fluorophores[J]. Research, 2025, 8: 1021. (綜合類Top期刊，IF: 10.9)

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. (綜合類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. (醫(yī)學(xué)Top期刊，IF：20.3)

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. (藥學(xué)Top期刊，IF：11.5)

l Zhu Y, Hou J, Tan X, Zhang W, Fang Y, Dong J*, Zeng W*. Integrating molecular generation and fingerprints transferring for single-molecule theranostics targeting endoplasmic reticulum stress[J]. Journal of Advanced Research, 2025 (綜合類Top期刊，IF：13)

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. (藥學(xué)Top期刊，IF：19.9)

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. (綜合類Top期刊，IF: 11.03)

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：9.8)

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 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)

聯(lián)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