Bo Tao Fan

发表

Quantitative Prediction of Liquid Chromatography Retention of N-Benzylideneanilines Based on Quantum Chemical Parameters and Radial Basis Function Neural Network

Ruisheng Zhang, Mancang Liu, Zhide Hu, 2002, J. Chem. Inf. Comput. Sci..

Development of a Quantitative Structure-property Relationship Model for Predicting the Electrophoretic Mobilities

Zhide Hu, Lijun Dong, Xingguo Chen, 2002, Comput. Chem..

Geometric symmetry and chemical equivalence

Jianhua Yao, Jean-Pierre Doucet, Annick Panaye, 1998, Discrete Mathematical Chemistry.

Comparative Study of QSAR/QSPR Correlations Using Support Vector Machines, Radial Basis Function Neural Networks, and Multiple Linear Regression

Haifeng Chen, Ruisheng Zhang, Mancang Liu, 2004, J. Chem. Inf. Model..

Diagnosing Breast Cancer Based on Support Vector Machines

Feng Luan, Ruisheng Zhang, Mancang Liu, 2003, J. Chem. Inf. Comput. Sci..

Radial Basis Function Neural Network Based QSPR for the Prediction of Critical Pressures of Substituted Benzenes

Ruisheng Zhang, Xiaoyun Zhang, Mancang Liu, 2002, Comput. Chem..

Study of the Quantitative Structure-Mobility Relationship of Carboxylic Acids in Capillary Electrophoresis Based on Support Vector Machines

Ruisheng Zhang, Mancang Liu, Zhide Hu, 2004, J. Chem. Inf. Model..

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

Ruisheng Zhang, Mancang Liu, Zhide Hu, 2003, J. Chem. Inf. Comput. Sci..

Detection of Constitutionally Equivalent Sites from a Connection Table

Jean-Pierre Doucet, Annick Panaye, Alain Barbu, 1996, J. Chem. Inf. Comput. Sci..

Diagnosing Anorexia Based on Partial Least Squares, Back Propagation Neural Network, and Support Vector Machines

Ruisheng Zhang, Mancang Liu, Huanxiang Liu, 2004, J. Chem. Inf. Model..

Topological approach of carbon-13 NMR spectral simulation: Application to fuzzy substructures

Jean-Pierre Doucet, Annick Panaye, Bo Tao Fan, 1993, J. Chem. Inf. Comput. Sci..

QSAR Models for the Prediction of Binding Affinities to Human Serum Albumin Using the Heuristic Method and a Support Vector Machine

Ruisheng Zhang, Mancang Liu, Zhide Hu, 2004, J. Chem. Inf. Model..

Prediction of Enthalpy of Alkanes by the Use of Radial Basis Function Neural Networks

Ruisheng Zhang, Xiaoyun Zhang, Mancang Liu, 2001, Comput. Chem..

Computational Studies and Drug Design for HIV-1 Reverse Transcriptase Inhibitors of 3′,4′-di-O-(S)-camphanoyl-(+)-cis-Khellactone (DCK) Analogs

Haifeng Chen, Ting Zhou, Chenyang Zhao, 2005, J. Comput. Aided Mol. Des..

An Accurate QSPR Study of O-H Bond Dissociation Energy in Substituted Phenols Based on Support Vector Machines

Ruisheng Zhang, Mancang Liu, Zhide Hu, 2004, J. Chem. Inf. Model..

Ring Perception: Proof of a Formula Calculating the Number of the Smallest Rings in Connected Graphs

Michel Petitjean, Annick Panaye, Bo Tao Fan, 2000, J. Chem. Inf. Comput. Sci..

Prediction of Programmed-temperature Retention Values of Naphthas by Wavelet Neural Networks

Ruisheng Zhang, Xiaoyun Zhang, Mancang Liu, 2001, Comput. Chem..

SIRS-SS: A System for Simulating IR/Raman Spectra, 2. Procedures and Performance

Jianhua Yao, Jianfeng Li, Jean-Pierre Doucet, 2002, J. Chem. Inf. Comput. Sci..

Comment on "Isomorphism, Automorphism Partitioning, and Canonical Labeling Can Be Solved in Polynomial-Time for Molecular Graphs"

Jean-Pierre Doucet, Annick Panaye, Bo Tao Fan, 1999, J. Chem. Inf. Comput. Sci..

Use of Artificial Neural Networks to Predict the Gas Chromatographic Retention Index Data of Alkylbenzenes on Carbowax-20M

Zhide Hu, Aixia Yan, Bo Tao Fan, 2000, Comput. Chem..

Support Vector Machines-Based Quantitative Structure-Property Relationship for the Prediction of Heat Capacity

Ruisheng Zhang, Mancang Liu, Zhide Hu, 2004, J. Chem. Inf. Model..

Prediction of the tissue/blood partition coefficients of organic compounds based on the molecular structure using least-squares support vector machines

Ruisheng Zhang, Mancang Liu, Zhide Hu, 2005, J. Comput. Aided Mol. Des..

MolDiA: A Novel Molecular Diversity Analysis Tool, 1. Principles and Architecture

Michel Petitjean, Jean-Pierre Doucet, Bo Tao Fan, 2007, J. Chem. Inf. Model..

Quantitative Prediction of logk of Peptides in High-Performance Liquid Chromatography Based on Molecular Descriptors by Using the Heuristic Method and Support Vector Machine

Ruisheng Zhang, Mancang Liu, Zhide Hu, 2004, J. Chem. Inf. Model..

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

Feng Luan, Ruisheng Zhang, Haixia Zhang, 2006, J. Comput. Aided Mol. Des..

SIRS-SS: A System for Simulating IR/Raman Spectra. 1. Substructure/Subspectrum Correlation

Jianhua Yao, Jianfeng Li, Annick Panaye, 2001, J. Chem. Inf. Comput. Sci..

Ring perception. A new algorithm for directly finding the smallest set of smallest rings from a connection table

Annick Panaye, Alain Barbu, Bo Tao Fan, 1993, J. Chem. Inf. Comput. Sci..

Prediction of the Isoelectric Point of an Amino Acid Based on GA-PLS and SVMs

Ruisheng Zhang, Mancang Liu, Zhide Hu, 2004, J. Chem. Inf. Model..

QSAR and classification models of a novel series of COX-2 selective inhibitors: 1, 5-diarylimidazoles based on support vector machines

Ruisheng Zhang, Mancang Liu, Zhide Hu, 2004, J. Comput. Aided Mol. Des..

Benchmarking of Linear and Nonlinear Approaches for Quantitative Structure-Property Relationship Studies of Metal Complexation with Ionophores

Igor V. Tetko, Nicolas Lachiche, Frank Hoonakker, 2006, J. Chem. Inf. Model..

Research on Individuation Task Allocating Based on Team Collaboration

Yu Xiao, Zi Jian Zhang, Lin Gong, 2014 .

Spectral Code Index (SPECOIND): A General Infrared Spectral Database Search Method

Jean-Pierre Doucet, Annick Panaye, Bo Tao Fan, 2003, Applied spectroscopy.

Using XML for structuring the chemical information: Towards a chemical knowledge representation

Michel Petitjean, Bo Tao Fan, Ana G. Maldonado, 2005 .

QSAR study of 1,4-dihydropyridine calcium channel antagonists based on gene expression programming.

Tao Wang, Bo Tao Fan, Zhide Hu, 2006, Bioorganic & medicinal chemistry.

QSAR Models for the Prediction of Binding Affinities to Human Serum Albumin Using the Heuristic Method and a Support Vector Machine.

Ruisheng Zhang, Mancang Liu, Zhide Hu, 2004 .

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‐ϰB Mediated Gene Expression Based on Support Vector Machines.

Hengzhi Liu, Xiaojun Yao, Bo Tao Fan, 2003 .

META 4. Prediction of the metabolism of polycyclic aromatic hydrocarbons

Gilles Klopman, Bo Tao Fan, Meihua Tu, 1999 .

An Accurate QSPR Study of O—H Bond Dissociation Energy in Substituted Phenols Based on Support Vector Machines.

Ruisheng Zhang, Mancang Liu, Zhide Hu, 2004 .

Comparative Study of Factor Xa Inhibitors Using Molecular Docking/SVM/HQSAR/3D-QSAR Methods

Jing Sun, Bo Tao Fan, Hairong Xia, 2006 .

Diagnosing Breast Cancer Based on Support Vector Machines.

Feng Luan, Ruisheng Zhang, Mancang Liu, 2003 .