| 2006 | ||
|---|---|---|
| 21 | Igor V. Tetko, Vitaly P. Solov'ev, Alexey V. Antonov, Xiaojun Yao, Jean-Pierre Doucet, Bo Tao Fan, Frank Hoonakker, Denis Fourches, Piere Jost, Nicolas Lachiche, Alexandre Varnek: Benchmarking of Linear and Nonlinear Approaches for Quantitative Structure-Property Relationship Studies of Metal Complexation with Ionophores. Journal of Chemical Information and Modeling 46(2): 808-819 (2006) | |
| 2004 | ||
| 20 | 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. Journal of Chemical Information and Modeling 44(4): 1257-1266 (2004) | |
| 19 | C. X. Xue, Ruisheng Zhang, H. X. Liu, Mancang Liu, Zhide Hu, Bo Tao Fan: Support Vector Machines-Based Quantitative Structure-Property Relationship for the Prediction of Heat Capacity. Journal of Chemical Information and Modeling 44(4): 1267-1274 (2004) | |
| 18 | C. X. Xue, Ruisheng Zhang, H. X. 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. Journal of Chemical Information and Modeling 44(5): 1693-1700 (2004) | |
| 17 | H. X. 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. Journal of Chemical Information and Modeling 44(6): 1979-1986 (2004) | |
| 16 | C. Y. Zhao, Ruisheng Zhang, H. X. Liu, C. X. Xue, S. G. Zhao, X. F. Zhou, Mancang Liu, Bo Tao Fan: Diagnosing Anorexia Based on Partial Least Squares, Back Propagation Neural Network, and Support Vector Machines. Journal of Chemical Information and Modeling 44(6): 2040-2046 (2004) | |
| 2003 | ||
| 15 | H. X. Liu, Ruisheng Zhang, F. Luan, X. J. Yao, Mancang Liu, Z. D. Hu, Bo Tao Fan: Diagnosing Breast Cancer Based on Support Vector Machines. Journal of Chemical Information and Computer Sciences 43(3): 900-907 (2003) | |
| 14 | H. X. Liu, Ruisheng Zhang, X. J. Yao, Mancang Liu, Z. D. 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. Journal of Chemical Information and Computer Sciences 43(4): 1288-1296 (2003) | |
| 2002 | ||
| 13 | 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. Computers & Chemistry 26(2): 159-169 (2002) | |
| 12 | 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. Computers & Chemistry 26(3): 245-251 (2002) | |
| 11 | Jianhua Yao, Bo Tao Fan, Jean-Pierre Doucet, Annick Panaye, Jianfeng Li, Chuantao Sun, Shengang Yuan: SIRS-SS: A System for Simulating IR/Raman Spectra, 2. Procedures and Performance. Journal of Chemical Information and Computer Sciences 42(2): 199-207 (2002) | |
| 10 | Y. H. Xiang, Mancang Liu, X. Y. Zhang, Ruisheng Zhang, Z. D. 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. Journal of Chemical Information and Computer Sciences 42(3): 592-597 (2002) | |
| 2001 | ||
| 9 | 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. Computers & Chemistry 25(2): 125-133 (2001) | |
| 8 | 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. Computers & Chemistry 25(5): 475-482 (2001) | |
| 7 | Jianhua Yao, Bo Tao Fan, Jean-Pierre Doucet, Annick Panaye, Shengang Yuan, Jianfeng Li: SIRS-SS: A System for Simulating IR/Raman Spectra. 1. Substructure/Subspectrum Correlation. Journal of Chemical Information and Computer Sciences 41(4): 1046-1052 (2001) | |
| 2000 | ||
| 6 | 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. Computers & Chemistry 24(2): 171-179 (2000) | |
| 5 | Michel Petitjean, Bo Tao Fan, Annick Panaye, Jean-Pierre Doucet: Ring Perception: Proof of a Formula Calculating the Number of the Smallest Rings in Connected Graphs. Journal of Chemical Information and Computer Sciences 40(4): 1015-1017 (2000) | |
| 1999 | ||
| 4 | Bo Tao Fan, Annick Panaye, Jean-Pierre Doucet: Comment on "Isomorphism, Automorphism Partitioning, and Canonical Labeling Can Be Solved in Polynomial-Time for Molecular Graphs". Journal of Chemical Information and Computer Sciences 39(3): 630-631 (1999) | |
| 1996 | ||
| 3 | Bo Tao Fan, Alain Barbu, Annick Panaye, Jean-Pierre Doucet: Detection of Constitutionally Equivalent Sites from a Connection Table. Journal of Chemical Information and Computer Sciences 36(4): 654-659 (1996) | |
| 1993 | ||
| 2 | Annick Panaye, Jean-Pierre Doucet, Bo Tao Fan: Topological approach of carbon-13 NMR spectral simulation: Application to fuzzy substructures. Journal of Chemical Information and Computer Sciences 33(2): 258-265 (1993) | |
| 1 | Bo Tao Fan, Annick Panaye, Jean-Pierre Doucet, Alain Barbu: Ring perception. A new algorithm for directly finding the smallest set of smallest rings from a connection table. Journal of Chemical Information and Computer Sciences 33(5): 657-662 (1993) | |