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。主要从事药物化学和化学信息学领域内相关问题研究。近期发表SCI论文32篇,第一作者或通讯作者13篇,其中多篇发表于领域内TOP期刊,被引用800多次。专注于领域内网络分析计算平台构建,相关数据库设计与应用,科学软件包和工具开发;人工智能与数据挖掘,药物分子设计等。已发表10多个计算平台和数据库,获得7项软件著作权。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。
研究方向:
l 基于AI的计算机辅助分子设计;
l 化学信息学计算平台及数据库的开发。
近年课题:
l 主持国家自然科学青年基金项目:基于机器学习方法的甜味剂多层次虚拟评价系统的构建研究。
l 主持湖南省自然科学基金青年基金项目:基于化学信息学方法的甜味剂虚拟筛选平台的构建与应用。
l 作为骨干参与国家重点研发计划子课题:食品安全监管大数据体系构建。
近期主要论文:
l Dong J, Zhu M F, Yun Y H, et al. BioMedR: An R/CRAN package for integrated data analysis pipeline in biomedical study. [J]. Briefings in Bioinformatics. 2019.
l Yang ZY#, Dong J#, Yang ZJ, et al. ChemFLuo: a web-server for structure analysis and identification of fluorescent compounds. [J]. Briefings in Bioinformatics. 2020.
l J Dong, HL Gao, D Ouyang. PharmSD: A novel AI-based computational platform for solid dispersion formulation design. International Journal of Pharmaceutics, 2021, 120705
l Gao H#, Wang W#, Dong J#, et al. An integrated computational methodology with data-driven machine learning, molecular modeling and PBPK modeling to accelerate solid dispersion formulation design[J]. European Journal of Pharmaceutics and Biopharmaceutics, 2020, 158: 336-346.
l Yang Z F, Xiao R, Luo F J, … Dong J*, et al. Food Bioactive Small Molecule Databases: Deep Boosting for the Study of Food Molecular Behaviors[J]. Innovative Food Science & Emerging Technologies, 2020: 102499.
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.
l Dong J#, Yao Z J#, Wen M, et al. BioTriangle: a web-accessible platform for generating various molecular representations for chemicals, proteins, DNAs/RNAs and their interactions[J]. Journal of Cheminformatics, 2016, 8(1): 1-13.
l Dong J, Yao Z J, Zhu M F, et al. ChemSAR: an online pipelining platform for molecular SAR modeling[J]. Journal of Cheminformatics, 2017, 9(1): 1-13.
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.
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.
l Wang N N#, Dong J#, Zhang L, et al. HAMdb: a database of human autophagy modulators with specific pathway and disease information[J]. Journal of Cheminformatics, 2018, 10(1): 34.
l Dong J#, Wang N N#, Liu K Y, et al. ChemBCPP: A freely available web server for calculating commonly used physicochemical properties[J]. Chemometrics and Intelligent Laboratory Systems, 2017, 171: 65-73.
l Wang N N#, Dong J#, Deng Y H, et al. ADME properties evaluation in drug discovery: prediction of Caco-2 Cell permeability using a combination of NSGA-II and boosting[J]. Journal of Chemical Information and Modeling, 2016, 56(4): 763-773.
l Yao Z J#, Dong J#, Che Y J, et al. TargetNet: a web service for predicting potential drug-target interaction profiling via multi-target SAR models[J]. Journal of Computer-Aided Molecular Design, 2016, 30(5): 413-424.
联系方式:
Google scholar: https://scholar.google.com/citations?user=phFGEecAAAAJ&hl=zh-CN
E-mail: biomed@csu.edu.cn
办公地址:长沙市岳麓区桐梓坡路172号湘雅医学院孝骞楼622