Chaoqian Cai




Education Background

2008-2013, Ph.D., Computer Application Technology, East China University of Science and Technology;
2004-2008, B.E., Computer Science & Technology, East China University of Science and Technology.

Research Topics

1) Molecular Similarity Evaluation;
2) Binding Sites Similarity Evaluation;
3) Machine Learning;
4) Computer Science.


  1. Cai, Chaoqian; Gong, Jiayu; Liu, Xiaofeng; Jiang, Hualing; Gao, Daqi; Li, Honglin, A novel, customizable and optimizable parameter method using spherical harmonics for molecular shape similarity comparisons. J. Mol. Model. 2012, 18 (4), 1597-1610. 
  2. Gong, Jiayu; Cai, Chaoqian; Liu, Xiaofeng; Ku, Xin; Jiang, Hualiang; Gao, Daqi; Li, Honglin, ChemMapper: a versatile web server for exploring pharmacology and chemical structure association based on molecular 3D similarity method. Bioinformatics, 2013, doi:10.1093/bioinformatics/btt270
  3. Xue, Mengzhu; Zhang, Shoude; Cai, Chaoqian; Yu, Xiaojuan; Shan, Lei; Liu, Xiaofeng; Zhang, Weidong; Li, Honglin, Predicting the drug safety for Traditional Chinese Medicine (TCM) through a comparative analysis of withdrawn drugs using pharmacological network. Evid. Based Complement. Alternat. Med. 2013, 2013, Article 256782.

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Honglin Li's Lab
Shanghai Key Laboratory of New Drug Design
School of Pharmacy
East China University of Sci. & Tech.
Room 527, Building 18, 130 Meilong Road,
Shanghai, 200237, P. R. China
Tel: (86) 21 6425 0213
Prof. Honglin Li

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