• 2009-2012 Ph.D. in Analytical Chemistry, College of Chemistry and Chemical Engineering, Central South University, Changsha, China, (Supervisor: Prof. Yizeng Liang Direction: Chemometrics and Chemoinformatics)
• 2006-2009 Graduate student in Analytical Chemistry, College of Chemistry and Chemical Engineering, Central South University, Changsha, China, (Supervisor: Prof. Yizeng Liang Direction: Chemometrics)
• 2002-2006 BS in Pharmaceutical Engineering, College of Chemistry and Chemical Engineering, Central South University, Changsha, China. (Courses: biochemistry, pharmaceutical chemistry, natural medicinal chemistry, pharmacology, organic chemistry, physical chemistry, computer-aided drug design)

• Development of robust regression and outlier detection methods for QSAR/QSPR.
• Development and application of the efficient machine learning algorithms for solving metabolomics and QSAR/QSPR data, such as support vector machines, kernel methods, ensemble learning, random forest, classification and regression tree, boosting, Gaussian process etc.
• Development of molecular descriptor calculation package (ChemoPy) computing a large number of molecular descriptors; fingerprints and fragments (Daylight type, PubChem, atom pairs etc).
• Development of web-based database using Django+MYSQL+Linux (based on Python).
• Development of Computer-aided flavour software using WxPython (incorporation project)

Software Mastered Sybyl, DOCK, AutoDOCK, MDL information system and MDL database.

Familiar with Guassian, MOPAC.

Programming Fluent in Python, R, Matlab, C, HTML, Unix/Linux programming. Some experience in C++ and Fortran. Experienced in Web-based database development using Django+MYSQL+Linux (based on Python), software and interface design (WxPython and PyQT), RDKit Toolkit, OpenBabel, Biopython, Daylight Toolkit & other computational chemistry development environments.

Peer-reviewed publications:

1. Dongsheng Cao, Yizeng Liang, Qingsong Xu, Hongdong Li, Xian Chen. A new strategy of outlier detection for QSAR/QSPR. Journal of Computational Chemistry, 31 (3), 2010, 592-602.
2. Dongsheng Cao, Qingsong Xu, Yizeng Liang, Liangxiao Zhang, Hongdong Li. The boosting: A new idea of building models. Chemometr Intell Lab. 100, 2010, 1-11.
3. Dongsheng Cao, Qingsong Xu, Yizeng Liang, Xian Chen, Hongdong Li. Prediction of aqueous solubility of druglike organic compounds using partial least squares, back-propagation network and support vector machine. Journal of chemometrics, 24, 2010, 584-595.
4. Dongsheng Cao, Qingsong Xu, Yizeng Liang, Hongdong Li, Automatic Feature Subset Selection for Decision Tree-Bsaed Ensemble Methods in the Prediction of Bioactivity. Chemometr Intell Lab, 103, 2010, 129-136.
5. Dongsheng Cao, Qingsong Xu, Yizeng Liang, Yifeng Yun, Hongdong Li. Toward Clean QSAR/QSPR Datasets: Simultaneous Outlier Detection and Variable Selection Using Distribution of Model Features. Journal of Computer-aided Molecular Design, 25, 2011, 67-80.
6. Dongsheng Cao, Qingsong Xu, Yizeng Liang, HongdongLi. Feature importance sampling-based adaptive random forest as a useful tool to screen underlying lead compounds. Journal of Chemometrics, 25, 2011, 201-207.
7. Dongsheng Cao, Bin Wang, Maomao Zeng, Yizeng Liang, Qingsong Xu, Liangxiao Zhang, Hongdong Li, Qiannan Hu. A new strategy of exploring metabonomics data using Monte Carlo Tree. Analyst, 136, 2011, 947-954.
8. Dongsheng Cao, Qiannan Hu, Qingsong Xu, Yizeng Liang, Liangxiao Zhang. In silico estimation of human maximum recommended daily dose based on adaptive random forest and substructure fingerprint. Analytica Chimica Acta, 692, 2011, 50-56.
9. Dongsheng Cao, Qingsong Xu, Yizeng Liang, Hongdong Li. Exploring nonlinear relationships in chemical data using kernel-based methods. Chemometr Intell Lab, 107, 2011, 106-115.
10. Dongsheng Cao, Maomao Zeng, Lunzhao Yi, Qingsong Xu, Yizeng Liang. A Novel Kernel Fisher Discriminant Analysis: Constructing Informative Kernel by Decision Tree Ensemble for Metabolomics Data Analysis. Analytica Chimica Acta, Accepted in 2011.
11. Guanghui Fu, Dongsheng Cao, Qingsong Xu, Y.Z. Liang. Combination of kernel PCA and linear support vector machine for modeling a nonlinear relationship between bioactivity and molecular descriptors. Journal of Chemometrics, 25, 2011, 92-99.
12. Qiannan Hu, Zhe Deng, Huannan Hu, Dongsheng Cao, Yizeng Liang. RxnFinder: biochemical reaction search engines using molecular structures, molecular fragments and reaction similarity. Bioinformatics, 27 (17), 2011, 2465-2467.
13. Hongdong Li, Yizeng Liang, Qingsong Xu, Dongsheng Cao, Binbin Tan, Baichuan Deng, Chenchen Lin. Recipe for uncovering predictive genes using support vector machines based on model population analysis. IEEE/ACM Transactions on Computational Biology and Bioinformatics.
14. Guanghui Fu, Qingsong Xu, Hongdong Li, Dongsheng Cao, Yizeng Liang, Elastic net grouping variable selection combined with partial least squares regression (EN-PLSR) for analysis of strongly multi-collinear spectroscopic data. Applied Spectroscopy, 65 (4), 2011, 402-408.
15. Hongdong Li, Maomao Zeng, Yizeng Liang, Qingsong Xu, Dongsheng Cao. Recipe for Revealing Informative Metabolites based on Model Population Analysis. Metabolomics, accepted, in 2010.
16. Hongdong Li, Yizeng Liang, Qingsong Xu, Dongsheng Cao. Model population analysis for variable selection. Journal of chemometrics , 24, (7) 2010, 418-423.
17. Hongdong Li, Yizeng Liang, Qingsong Xu, Dongsheng Cao. Key wavelengths screening using competitive adaptive reweighted sampling method for multivariate calibration. Analytica Chimica Acta, 648 (1), 2009, 77-84.
18. Shao Liu, Yizeng Liang, Jie Luo, Dongsheng Cao. Optimization of Liensinine, Isoliensinine and Neferine Extraction from the Embryo of the Seed of Nelumbo nucifera GAERTN. Separation Science and Technology, 14 (43), 2008, 3637-3651.
19. Liangxiao Zhang, Yifeng Yun, Yizeng Liang, Dongsheng Cao. Discovery of mass spectral characteristics and automatic identification of wax esters from GC/MS data. Journal of Chromatography A, 1217 (23), 2010, 3695-3701.
20. Maomao Zeng, Yizeng Liang, Hongdong Li, Dongsheng Cao, Plasma metabolic fingerprinting of childhood obesity by GC/MS in conjunction with multivariate statistical analysis. Journal of Pharmaceutical and Biomedical analysis, 52 (2), 2010, 265-272.
21. Maomao Zeng, Yizeng Liang, Bin Wang, Xian Chen, Dongsheng Cao, Hongdong Li, Mei Wang, Guangzhi Zhou. Metabolic alternations of impaired fasting glucose by GC/MS based on plasma metabolic profiling combined with chemometrics. Metabolomics, 6 (2), 2010, 303-311.
22. Xiaoliang Zhang, Wan Zhang, Dongsheng Cao, Maomao Zeng, Yizeng Liang, Olav M. Kavlheim. Resolving co-eluting chromatography patterns by means of dissimilarity analysis in iterative target transformation factor analysis. Journal of Chromatography A, doi:10.1016/j.chroma.2011.08.010.

[E] Book Chapters: Yizeng Liang, Qingsong Xu, Hongdong Li, Dongsheng Cao. Support Vector Machines and Their Application in Chemistry and Biotechnology. Taylor & Francis CRC press, 2011, (Chapter 3, 4 and 7).

• The first class scholarship, Central South University, 2003-2005 (Three times).
• Tian-Ci scholarship, Central South University, 2006 (Sponsored by Incorporation).
• The support scholarship for excellent Ph.D thesis from Hunan province, China, 2009.
• The honor of excellent Ph.D student from Hunan province, China, 2009.
• BiYaDi scholarship, Central South University, 2010 (Sponsored by Incorporation).
• Tain-Ci scholarship, Central South University, 2010 (Sponsored by Incorporation).
• The honor of excellent academic person from Ministry of Education, PR China, 2011.

Reviewed papers for the following journals:
  Journal of Chemometrics   Chemometrics and Intelligent Laboratory Systems   Analytica Chimica Acta

Outdoor tour, Chinese chess and ball sports especially football.

Professor Yizeng Liang, Research center of modernization of traditional Chinese medicines, Central South University, Changsha 410083, China.
Tel: +86 (731) 8883-0824
E-mail: yizeng_liang@263.net

Professor Qingsong Xu, School of Mathematical Sciences and Computing Technology, Central South University, Changsha, 410083, China.
Tel: +86 (731) 8883-0832
E-mail: dasongxu@gmail.com