Bo Tao Fan - researchr alias

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Viewing Publication 1 - 28 from 28

2007

MolDiA: A Novel Molecular Diversity Analysis Tool, 1. Principles and ArchitectureAna G. Maldonado, Jean-Pierre Doucet, Michel Petitjean, Bo Tao Fan. jcisd, 47(6):2197-2207, 2007. [doi]

2006

2005

2004

Quantitative Prediction of log::::k:::: of Peptides in High-Performance Liquid Chromatography Based on Molecular Descriptors by Using the Heuristic Method and Support Vector MachineH. X. Liu, C. X. Xue, Ruisheng Zhang, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan. jcisd, 44(6):1979-1986, 2004. [doi]

QSAR and classification models of a novel series of COX-2 selective inhibitors: 1, 5-diarylimidazoles based on support vector machinesHuanxiang Liu, Ruisheng Zhang, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan. jcamd, 18(6):389-399, 2004. [doi]

QSAR Models for the Prediction of Binding Affinities to Human Serum Albumin Using the Heuristic Method and a Support Vector MachineC. X. Xue, Ruisheng Zhang, H. X. Liu, Xiaojun Yao, Mancang Liu, Zhide Hu, Bo Tao Fan. jcisd, 44(5):1693-1700, 2004. [doi]

Support Vector Machines-Based Quantitative Structure-Property Relationship for the Prediction of Heat CapacityC. X. Xue, Ruisheng Zhang, H. X. Liu, Mancang Liu, Zhide Hu, Bo Tao Fan. jcisd, 44(4):1267-1274, 2004. [doi]

Comparative Study of QSAR/QSPR Correlations Using Support Vector Machines, Radial Basis Function Neural Networks, and Multiple Linear RegressionXiaojun Yao, Annick Panaye, Jean-Pierre Doucet, Ruisheng Zhang, Haifeng Chen, Mancang Liu, Zhide Hu, Bo Tao Fan. jcisd, 44(4):1257-1266, 2004. [doi]

Diagnosing Anorexia Based on Partial Least Squares, Back Propagation Neural Network, and Support Vector MachinesC. Y. Zhao, Ruisheng Zhang, H. X. Liu, C. X. Xue, S. G. Zhao, X. F. Zhou, Mancang Liu, Bo Tao Fan. jcisd, 44(6):2040-2046, 2004. [doi]

2003

Diagnosing Breast Cancer Based on Support Vector MachinesH. X. Liu, Ruisheng Zhang, F. Luan, X. J. Yao, Mancang Liu, Z. D. Hu, Bo Tao Fan. jcisd, 43(3):900-907, 2003. [doi]

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 MachinesH. X. Liu, Ruisheng Zhang, X. J. Yao, Mancang Liu, Z. D. Hu, Bo Tao Fan. jcisd, 43(4):1288-1296, 2003. [doi]

2002

Development of a Quantitative Structure-property Relationship Model for Predicting the Electrophoretic MobilitiesQianfeng Li, Lijun Dong, Runping Jia, Xingguo Chen, Zhide Hu, Bo Tao Fan. CANDC, 26(3):245-251, 2002. [doi]

Quantitative Prediction of Liquid Chromatography Retention of N-Benzylideneanilines Based on Quantum Chemical Parameters and Radial Basis Function Neural NetworkY. H. Xiang, Mancang Liu, X. Y. Zhang, Ruisheng Zhang, Z. D. Hu, Bo Tao Fan, Jean-Pierre Doucet, Annick Panaye. jcisd, 42(3):592-597, 2002. [doi]

SIRS-SS: A System for Simulating IR/Raman Spectra, 2. Procedures and PerformanceJianhua Yao, Bo Tao Fan, Jean-Pierre Doucet, Annick Panaye, Jianfeng Li, Chuantao Sun, Shengang Yuan. jcisd, 42(2):199-207, 2002. [doi]

Radial Basis Function Neural Network Based QSPR for the Prediction of Critical Pressures of Substituted BenzenesXiaojun Yao, Xiaoyun Zhang, Ruisheng Zhang, Mancang Liu, Zhide Hu, Bo Tao Fan. CANDC, 26(2):159-169, 2002. [doi]

2001

2000

Ring Perception: Proof of a Formula Calculating the Number of the Smallest Rings in Connected GraphsMichel Petitjean, Bo Tao Fan, Annick Panaye, Jean-Pierre Doucet. jcisd, 40(4):1015-1017, 2000. [doi]

Use of Artificial Neural Networks to Predict the Gas Chromatographic Retention Index Data of Alkylbenzenes on Carbowax-20MAixia Yan, Guimei Jiao, Zhide Hu, Bo Tao Fan. CANDC, 24(2):171-179, 2000. [doi]

1999

Comment on Isomorphism, Automorphism Partitioning, and Canonical Labeling Can Be Solved in Polynomial-Time for Molecular Graphs Bo Tao Fan, Annick Panaye, Jean-Pierre Doucet. jcisd, 39(3):630-631, 1999. [doi]

1998

Geometric symmetry and chemical equivalenceBo Tao Fan, Annick Panaye, Jianhua Yao, Shengang Yuan, Jean-Pierre Doucet. dimacs 2000: 129-138

1996

Detection of Constitutionally Equivalent Sites from a Connection TableBo Tao Fan, Alain Barbu, Annick Panaye, Jean-Pierre Doucet. jcisd, 36(4):654-659, 1996. [doi]

1993

Ring perception. A new algorithm for directly finding the smallest set of smallest rings from a connection tableBo Tao Fan, Annick Panaye, Jean-Pierre Doucet, Alain Barbu. jcisd, 33(5):657-662, 1993. [doi]

Topological approach of carbon-13 NMR spectral simulation: Application to fuzzy substructuresAnnick Panaye, Jean-Pierre Doucet, Bo Tao Fan. jcisd, 33(2):258-265, 1993. [doi]

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2007

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