Parts of Publications

book

Chen Nian-Yi, Lu Wen-Cong, Li Guo-Zheng, Yang Jie, Support Vector Machine in Chemistry, World Scientific Publisher Co. Ltd., 2004

Journals

Niu Bing, Cai Yu-Dong, Lu Wen-Cong, Li Guo-Zheng, Chou Kuo-Chen,Predicting Protein Structural Class with AdaBoost Learner, Protein and Peptide Letters 2006, 13(5):489-492
LIU Xu, LU Wencong, JIN Shengli, LI Yawei, CHEN Nianyi,Support Vector Regression Applied to Materials Optimization of Sialon Ceramics, Chemometrics and Intelligent Laboratory Systems 2006, 82: 8 - 14
Tianhong Gu, Wencong Lu, Xinhua Bao, Nianyi Chen, Using support vector regression for the prediction of the band gap and melting point of binary and ternary compound semiconductors, Solid State Sciences, 2006, 8:129–136
Yu-Dong Cai, Kai-Yan Feng, Wen-Cong Lu, Kuo-Chen Chou，Using LogitBoost classifier to predict protein structural classes，Journal of Theoretical Biology 2006，238:172－176
Wencong Lu*, Ning Dong, Gabor Naray-Szabo, Predicting Anti-HIV-1 Activities of HEPT-analog Compounds by Using Support Vector Classification QSAR & Combinatorial Science, 24(9):1021 – 1025
Yang Shansheng, Lu Wencong, Chen Nianyi, Hu Qiannan, Support vector regression based QSPR for the prediction of some physicochemical properties of alkyl benzenes. Journal of Molecular Structure: THEOCHEM, 2005, 719 : 119-127
Ning DONG, Wen-Cong LU, Nian-Yi CHEN, You-Cheng ZHU, Kai-Xian CHEN，Using Support Vector Classification for SAR of Fentanyl Derivatives, Acta Pharmacologica Sinica, 2005, 26 (1): 107–112
Liu Liang, Lu Wencong*, Chen Nianyi, On the criteria of formation and lattice distortion of Perovskite-type complex halides, Journal of Physics and Chemistry of Solid State, 2004, 65 : 855
LU Wen-cong, JI Xiao-bo, DONG Ning, LIU Liang, CHEN Nian-yi, USING SUPPORT VECTOR MACHINE FOR SAR OF DRUG, The 2th International Conference on Chemometrics and Chemoinformatics in Asia, 2004
Li Guozheng, Yang Jie, Yang Shansheng, Lu Wencong, Chen Ninayi, Modeling of Maximum Absorption Wavelength of Some Azo Dyes Using ANN, Journal of Chemical Information and Computer Science, 2004, 44(6), 2047-2050
Guo-Zheng Li, Jie Yang, Jun Lu, Wen-Cong Lu, Nian-Yi Chen, On multivariate calibration problems, Proceedings of International Symposium on Neural Networks, (ISNN04), August 19-21, 2004, Dalian, China, LNCS3173, pp.389-394
LIU TaiAng, LU WenCong*, ZHANG LiangMiao, CHEN NianYi, Using support vector classification for SAR of the ethofenprox analogous of pesticide, Computers and Applied Chemistry, 2004, 21(6):795-799
Liu Liang, Lu Wencong, Chen Ruilan, Chen Nianyi, Mei Zuming, Zhu Ge, Trace Element Determination of Chinese Cigarettes with Data Analysis by using Support Vector Classification, The 2th International Conference on Chemometrics and Chemoinformatics in Asia, 2004
Liu Xu, Lu Wencong, Zhai Wenhua, Chen Nianyi, Using Support Vector Regression for Materials Optimization, The 2th International Conference on Chemometrics and Chemoinformatics in Asia, 2004
Ji Xiaobo, Liu Liang, Zhang Liangmiao, Lu Wencong, Chen Nianyi, LMAP method applied to classification of antifungal activities of triazoles, The 2th International Conference on Chemometrics and Chemoinformatics in Asia, 2004
Lu Wen-Cong, Chen Nian-Yi, Li Guo-Zheng, Yang Jie, Multitask Learning Using Partial Least Method, The 7th International Conference on Information Fusion, 2004, Stockholm, Sweden
Yang Shansheng, Lu Wencong, Ji Xiaobo, Chen Nianyi, Using Support Vector Classification for SAR of the 5-hydroxytryptamine Receptor Antagonists, The 4th Conference for Worldwide Young Chinese Chemists. Chengdu, Sichuang, 2004.8：99-100
Liu Liang, Lu Wencong, Chen Nianyi, On the criteria of formation and lattice distortion of Perovskite-type complex halides, Journal of Physics and Chemistry of Solids, 2004, 65: 855
Lu Wencong，Chen Nianyi, Ye Chenzhou, Li Guozheng, Introduction to the Algorithm of Support Vector Machine and the Software ChemSVM, Computers and Applied Chemistry, 2002, 19(6) :697
Chen Nianyi，Lu Wencong，Ye Chenzhou，Li Guozheng, Application of Support Vector Machine and Kernel Function in Chemometrics, Computers and Applied Chemistry, 2002, 19(6) : 673
BAO Xin-Hua, LU Wen-Cong, LIU Liang, CHEN Nian-Yi, Hyper-polyhedron model applied to computer-aided molecular screening of guanidines as Na/H exchange inhibitors, Acta Pharmacologica Sinica, 2003, 24(5) : 472
Lu Wencong, Yan Licheng, Fang Jianhui, Ding Yimin, Liu Liang, Chen Nianyi, Some Regularities of Thermodynamic Properties of Common-Cation Molten Salt Mixtures, Proceedings of 6th International Symposium on Molten Salt Chemistry and Technology,2001
Chen Nianyi, Yan Licheng, Lu Wencong, Bao Xinhua, Fang Jianhui, Ding Yimin, Computerized Prediction of Thermodynamic Properties and Intelligent Data Base for Phase Diagrams of Molten Salt Systems, Proceedings of 6th International Symposium on Molten Salt Chemistry and Technology,2001
Bao Xinhua, Chen Nianyi, Lu Wencong, Fang Jianhui, Ding Yiming, Some Regularities of Formation of Continuous Solid Solutions from Molten Halide Melt Mixtures, Proceedings of 6th International Symposium on Molten Salt Chemistry and Technology,2001
Liu Liang, Bao Xinhua, Lu Wencong, Chen Nianyi, On Formation Condition for Amorphous Phase of Ternary Fluorides by OMR method, Proceedings of 6th International Symposium on Molten Salt Chemistry and Technology, 2001
YAN Licheng, Lu Wencong, DING Yiming, FANG Jianhui and CHEN Nianyi, Thermodynamic Stability of LiFeO2 in Molten Carbonate Fuel Cell, Journal of Materials Science and Technology, 2000, 16(1):71
Chen Nianyi, Lu Wencong, Chen Ruiliang, Regularities of Formation of Ternary Intermetallic Compounds Part 1. Ternary Intermetallic Compounds between Nontransition Elements, J. Alloys and Compounds, 1999, 289:120
Chen Nianyi, Lu Wencong, QinPei, Regularities of Formation of Ternary Intermetallic Compounds Part 2. Ternary Intermetallic Compounds between Transition Elements, J. Alloys and Compounds, 1999, 289:126
Lu Wencong, Chen Nianyi, Li Chonghe, Regularities of Formation of Ternary Intermetallic Compounds Part 3. Ternary Intermetallic Compounds between one Transition and two Nontransition Elements, J. Alloys and Compounds, 1999, 289:131
Chen Nianyi, Lu Wencong, Chen Ruiliang, Regularities of Formation of Ternary Intermetallic Compounds Part 4. Ternary Intermetallic Compounds between two Transition and one Nontransition Elements, J. Alloys and Compounds, 1999, 292:129
Chen Nianyi, Lu Wencong, Chemometric Methods Applied to Industrial Optimization and Materials Optimal Design, Chemometrics and intelligent laboratory systems, 1999, 45, 329-333
Chen Nianyi, Lu Wencong, Software Package "Materials Designer" and its Application in Materials Research, IPMM'99, Hawaii, USA, July, 1999

Department of Chemistry, College of Sciences, Shanghai University, Shanghai, 200444, China
Tel: 86-21-66133513, Fax:86-21-66133522, Email:liuliang@shu.edu.cn

	Laboratory of Chemical Data Mining
	Department of Chemistry, College of Sciences,Shanghai University


		Parts of Publications book Chen Nian-Yi, Lu Wen-Cong, Li Guo-Zheng, Yang Jie, Support Vector Machine in Chemistry, World Scientific Publisher Co. Ltd., 2004 Journals Niu Bing, Cai Yu-Dong, Lu Wen-Cong, Li Guo-Zheng, Chou Kuo-Chen,Predicting Protein Structural Class with AdaBoost Learner, Protein and Peptide Letters 2006, 13(5):489-492 LIU Xu, LU Wencong, JIN Shengli, LI Yawei, CHEN Nianyi,Support Vector Regression Applied to Materials Optimization of Sialon Ceramics, Chemometrics and Intelligent Laboratory Systems 2006, 82: 8 - 14 Tianhong Gu, Wencong Lu, Xinhua Bao, Nianyi Chen, Using support vector regression for the prediction of the band gap and melting point of binary and ternary compound semiconductors, Solid State Sciences, 2006, 8:129–136 Yu-Dong Cai, Kai-Yan Feng, Wen-Cong Lu, Kuo-Chen Chou，Using LogitBoost classifier to predict protein structural classes，Journal of Theoretical Biology 2006，238:172－176 Wencong Lu, Ning Dong, Gabor Naray-Szabo, Predicting Anti-HIV-1 Activities of HEPT-analog Compounds by Using Support Vector Classification QSAR & Combinatorial Science, 24(9):1021 – 1025 Yang Shansheng, Lu Wencong, Chen Nianyi, Hu Qiannan, Support vector regression based QSPR for the prediction of some physicochemical properties of alkyl benzenes. Journal of Molecular Structure: THEOCHEM, 2005, 719 : 119-127 Ning DONG, Wen-Cong LU, Nian-Yi CHEN, You-Cheng ZHU, Kai-Xian CHEN，Using Support Vector Classification for SAR of Fentanyl Derivatives, Acta Pharmacologica Sinica, 2005, 26 (1): 107–112 Liu Liang, Lu Wencong, Chen Nianyi, On the criteria of formation and lattice distortion of Perovskite-type complex halides, Journal of Physics and Chemistry of Solid State, 2004, 65 : 855 LU Wen-cong, JI Xiao-bo, DONG Ning, LIU Liang, CHEN Nian-yi, USING SUPPORT VECTOR MACHINE FOR SAR OF DRUG, The 2th International Conference on Chemometrics and Chemoinformatics in Asia, 2004 Li Guozheng, Yang Jie, Yang Shansheng, Lu Wencong, Chen Ninayi, Modeling of Maximum Absorption Wavelength of Some Azo Dyes Using ANN, Journal of Chemical Information and Computer Science, 2004, 44(6), 2047-2050 Guo-Zheng Li, Jie Yang, Jun Lu, Wen-Cong Lu, Nian-Yi Chen, On multivariate calibration problems, Proceedings of International Symposium on Neural Networks, (ISNN04), August 19-21, 2004, Dalian, China, LNCS3173, pp.389-394 LIU TaiAng, LU WenCong*, ZHANG LiangMiao, CHEN NianYi, Using support vector classification for SAR of the ethofenprox analogous of pesticide, Computers and Applied Chemistry, 2004, 21(6):795-799 Liu Liang, Lu Wencong, Chen Ruilan, Chen Nianyi, Mei Zuming, Zhu Ge, Trace Element Determination of Chinese Cigarettes with Data Analysis by using Support Vector Classification, The 2th International Conference on Chemometrics and Chemoinformatics in Asia, 2004 Liu Xu, Lu Wencong, Zhai Wenhua, Chen Nianyi, Using Support Vector Regression for Materials Optimization, The 2th International Conference on Chemometrics and Chemoinformatics in Asia, 2004 Ji Xiaobo, Liu Liang, Zhang Liangmiao, Lu Wencong, Chen Nianyi, LMAP method applied to classification of antifungal activities of triazoles, The 2th International Conference on Chemometrics and Chemoinformatics in Asia, 2004 Lu Wen-Cong, Chen Nian-Yi, Li Guo-Zheng, Yang Jie, Multitask Learning Using Partial Least Method, The 7th International Conference on Information Fusion, 2004, Stockholm, Sweden Yang Shansheng, Lu Wencong, Ji Xiaobo, Chen Nianyi, Using Support Vector Classification for SAR of the 5-hydroxytryptamine Receptor Antagonists, The 4th Conference for Worldwide Young Chinese Chemists. Chengdu, Sichuang, 2004.8：99-100 Liu Liang, Lu Wencong, Chen Nianyi, On the criteria of formation and lattice distortion of Perovskite-type complex halides, Journal of Physics and Chemistry of Solids, 2004, 65: 855 Lu Wencong，Chen Nianyi, Ye Chenzhou, Li Guozheng, Introduction to the Algorithm of Support Vector Machine and the Software ChemSVM, Computers and Applied Chemistry, 2002, 19(6) :697 Chen Nianyi，Lu Wencong，Ye Chenzhou，Li Guozheng, Application of Support Vector Machine and Kernel Function in Chemometrics, Computers and Applied Chemistry, 2002, 19(6) : 673 BAO Xin-Hua, LU Wen-Cong, LIU Liang, CHEN Nian-Yi, Hyper-polyhedron model applied to computer-aided molecular screening of guanidines as Na/H exchange inhibitors, Acta Pharmacologica Sinica, 2003, 24(5) : 472 Lu Wencong, Yan Licheng, Fang Jianhui, Ding Yimin, Liu Liang, Chen Nianyi, Some Regularities of Thermodynamic Properties of Common-Cation Molten Salt Mixtures, Proceedings of 6th International Symposium on Molten Salt Chemistry and Technology,2001 Chen Nianyi, Yan Licheng, Lu Wencong, Bao Xinhua, Fang Jianhui, Ding Yimin, Computerized Prediction of Thermodynamic Properties and Intelligent Data Base for Phase Diagrams of Molten Salt Systems, Proceedings of 6th International Symposium on Molten Salt Chemistry and Technology,2001 Bao Xinhua, Chen Nianyi, Lu Wencong, Fang Jianhui, Ding Yiming, Some Regularities of Formation of Continuous Solid Solutions from Molten Halide Melt Mixtures, Proceedings of 6th International Symposium on Molten Salt Chemistry and Technology,2001 Liu Liang, Bao Xinhua, Lu Wencong, Chen Nianyi, On Formation Condition for Amorphous Phase of Ternary Fluorides by OMR method, Proceedings of 6th International Symposium on Molten Salt Chemistry and Technology, 2001 YAN Licheng, Lu Wencong, DING Yiming, FANG Jianhui and CHEN Nianyi, Thermodynamic Stability of LiFeO2 in Molten Carbonate Fuel Cell, Journal of Materials Science and Technology, 2000, 16(1):71 Chen Nianyi, Lu Wencong, Chen Ruiliang, Regularities of Formation of Ternary Intermetallic Compounds Part 1. Ternary Intermetallic Compounds between Nontransition Elements, J. Alloys and Compounds, 1999, 289:120 Chen Nianyi, Lu Wencong, QinPei, Regularities of Formation of Ternary Intermetallic Compounds Part 2. Ternary Intermetallic Compounds between Transition Elements, J. Alloys and Compounds, 1999, 289:126 Lu Wencong, Chen Nianyi, Li Chonghe, Regularities of Formation of Ternary Intermetallic Compounds Part 3. Ternary Intermetallic Compounds between one Transition and two Nontransition Elements, J. Alloys and Compounds, 1999, 289:131 Chen Nianyi, Lu Wencong, Chen Ruiliang, Regularities of Formation of Ternary Intermetallic Compounds Part 4. Ternary Intermetallic Compounds between two Transition and one Nontransition Elements, J. Alloys and Compounds, 1999, 292:129 Chen Nianyi, Lu Wencong, Chemometric Methods Applied to Industrial Optimization and Materials Optimal Design, Chemometrics and intelligent laboratory systems, 1999, 45, 329-333 Chen Nianyi, Lu Wencong, Software Package "Materials Designer" and its Application in Materials Research, IPMM'99, Hawaii, USA, July, 1999



		Department of Chemistry, College of Sciences, Shanghai University, Shanghai, 200444, China Tel: 86-21-66133513, Fax:86-21-66133522, Email:liuliang@shu.edu.cn