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2000 – 2009
- 2006
[j24]Feng Luan, Xiaoyun Zhang, Haixia Zhang, Ruisheng Zhang
, Mancang Liu, Zhide Hu, Bo Tao Fan:
Prediction of standard Gibbs energies of the transfer of peptide anions from aqueous solution to nitrobenzene based on support vector machine and the heuristic method. J. Comput. Aided Mol. Des. 20(1): 1-11 (2006)- 2005
- [j23]Huanxiang Liu, Rongjing Hu, Ruisheng Zhang, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan:
The prediction of human oral absorption for diffusion rate-limited drugs based on heuristic method and support vector machine. J. Comput. Aided Mol. Des. 19(1): 33-46 (2005) - [j22]Huanxiang Liu, Xiaojun Yao, Ruisheng Zhang, Mancang Liu, Zhide Hu, Bo Tao Fan:
Prediction of the tissue/blood partition coefficients of organic compounds based on the molecular structure using least-squares support vector machines. J. Comput. Aided Mol. Des. 19(7): 499-508 (2005) - 2004
- [j21]Huanxiang Liu, Ruisheng Zhang, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan:
QSAR and classification models of a novel series of COX-2 selective inhibitors: 1, 5-diarylimidazoles based on support vector machines. J. Comput. Aided Mol. Des. 18(6): 389-399 (2004) - [j20]Huanxiang Liu, Ruisheng Zhang, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan:
Prediction of the Isoelectric Point of an Amino Acid Based on GA-PLS and SVMs. J. Chem. Inf. Model. 44(1): 161-167 (2004) - [j19]C. X. Xue, Ruisheng Zhang, Huanxiang Liu, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan:
An Accurate QSPR Study of O-H Bond Dissociation Energy in Substituted Phenols Based on Support Vector Machines. J. Chem. Inf. Model. 44(2): 669-677 (2004) - [j18]C. X. Xue, Ruisheng Zhang, Mancang Liu, Zhide Hu, Bo Tao Fan:
Study of the Quantitative Structure-Mobility Relationship of Carboxylic Acids in Capillary Electrophoresis Based on Support Vector Machines. J. Chem. Inf. Model. 44(3): 950-957 (2004) - [j17]Xiaojun Yao, Annick Panaye, Jean-Pierre Doucet, Ruisheng Zhang, Haifeng Chen, Mancang Liu, Zhide Hu, Bo Tao Fan:
Comparative Study of QSAR/QSPR Correlations Using Support Vector Machines, Radial Basis Function Neural Networks, and Multiple Linear Regression. J. Chem. Inf. Model. 44(4): 1257-1266 (2004) - [j16]C. X. Xue, Ruisheng Zhang, Huanxiang Liu, Mancang Liu, Zhide Hu, Bo Tao Fan:
Support Vector Machines-Based Quantitative Structure-Property Relationship for the Prediction of Heat Capacity. J. Chem. Inf. Model. 44(4): 1267-1274 (2004) - [j15]C. X. Xue, Ruisheng Zhang, Huanxiang Liu, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan:
QSAR Models for the Prediction of Binding Affinities to Human Serum Albumin Using the Heuristic Method and a Support Vector Machine. J. Chem. Inf. Model. 44(5): 1693-1700 (2004) - [j14]Huanxiang Liu, C. X. Xue, Ruisheng Zhang, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan:
Quantitative Prediction of logk of Peptides in High-Performance Liquid Chromatography Based on Molecular Descriptors by Using the Heuristic Method and Support Vector Machine. J. Chem. Inf. Model. 44(6): 1979-1986 (2004) - 2003
- [j13]Hong Lin Zhai, Xingguo Chen, Zhide Hu:
Study on the relationship between intake of trace elements and breast cancer mortality with chemometric methods. Comput. Biol. Chem. 27(6): 581-586 (2003) - [j12]Huanxiang Liu, Ruisheng Zhang, Feng Luan, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan:
Diagnosing Breast Cancer Based on Support Vector Machines. J. Chem. Inf. Comput. Sci. 43(3): 900-907 (2003) - [j11]Huanxiang Liu, Ruisheng Zhang, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan:
QSAR Study of Ethyl 2-[(3-Methyl-2, 5-dioxo(3-pyrrolinyl))amino]-4-(trifluoromethyl) pyrimidine-5-carboxylate: An Inhibitor of AP-1 and NF-B Mediated Gene Expression Based on Support Vector Machines. J. Chem. Inf. Comput. Sci. 43(4): 1288-1296 (2003) - 2002
- [j10]Xiaojun Yao, Xiaoyun Zhang, Ruisheng Zhang, Mancang Liu, Zhide Hu, Bo Tao Fan:
Radial Basis Function Neural Network Based QSPR for the Prediction of Critical Pressures of Substituted Benzenes. Comput. Chem. 26(2): 159-169 (2002) - [j9]Qianfeng Li, Lijun Dong, Runping Jia, Xingguo Chen, Zhide Hu, Bo Tao Fan:
Development of a Quantitative Structure-property Relationship Model for Predicting the Electrophoretic Mobilities. Comput. Chem. 26(3): 245-251 (2002) - [j8]Y. H. Xiang, Mancang Liu, X. Y. Zhang, Ruisheng Zhang, Zhide Hu, Bo Tao Fan, Jean-Pierre Doucet, Annick Panaye:
Quantitative Prediction of Liquid Chromatography Retention of N-Benzylideneanilines Based on Quantum Chemical Parameters and Radial Basis Function Neural Network. J. Chem. Inf. Comput. Sci. 42(3): 592-597 (2002) - 2001
- [j7]Xiaoyun Zhang, Jianhua Qi, Ruisheng Zhang, Mancang Liu, Zhide Hu, Huifeng Xue, Bo Tao Fan:
Prediction of Programmed-temperature Retention Values of Naphthas by Wavelet Neural Networks. Comput. Chem. 25(2): 125-133 (2001) - [j6]Xiaojun Yao, Xiaoyun Zhang, Ruisheng Zhang, Mancang Liu, Zhide Hu, Bo Tao Fan:
Prediction of Enthalpy of Alkanes by the Use of Radial Basis Function Neural Networks. Comput. Chem. 25(5): 475-482 (2001) - [j5]Lijun Dong, Aixia Yan, Xingguo Chen, Hongping Xu, Zhide Hu:
Research and Prediction of Coordination Reactions Between CPA-mA and Some Metal Ions using Artificial Neural Networks. Comput. Chem. 25(6): 551-558 (2001) - 2000
- [j4]Aixia Yan, Guimei Jiao, Zhide Hu, Bo Tao Fan:
Use of Artificial Neural Networks to Predict the Gas Chromatographic Retention Index Data of Alkylbenzenes on Carbowax-20M. Comput. Chem. 24(2): 171-179 (2000)
1990 – 1999
- 1998
- [j3]Aixia Yan, Ruisheng Zhang, Mancang Liu, Zhide Hu, Martin A. Hooper, Zhengfeng Zhao:
Large Artificial Neural Networks Applied to the Prediction of Retention Indices of Acyclic and Cyclic Alkanes, Alkenes, Alcohols, Esters, Ketones and Ethers. Comput. Chem. 22(5): 405-412 (1998) - 1997
- [j2]Ruisheng Zhang, Shuhui Liu, Mancang Liu, Zhide Hu:
Neural Network-molecular Descriptors Approach to the Prediction of Properties of Alkenes. Comput. Chem. 21(5): 335-341 (1997) - [j1]Shuhui Liu, Ruisheng Zhang, Mancang Liu, Zhide Hu:
Neural Network-Topological Indices Approach to the Prediction of Properties of Alkene. J. Chem. Inf. Comput. Sci. 37(6): 1146-1151 (1997)
Coauthor Index
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