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Jean-Pierre Doucet

Publication Activity (10 Years)

Years Active: 1986-2007
Publications (10 Years): 0

Publications

Ana G. Maldonado, Jean-Pierre Doucet, Michel Petitjean, Bo Tao Fan
MolDiA: A Novel Molecular Diversity Analysis Tool, 1. Principles and Architecture. J. Chem. Inf. Model. 47 (6) (2007)
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. J. Chem. Inf. Model. 46 (2) (2006)
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) (2004)
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) (2002)
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. J. Chem. Inf. Comput. Sci. 42 (2) (2002)
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. J. Chem. Inf. Comput. Sci. 41 (4) (2001)
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. J. Chem. Inf. Comput. Sci. 40 (4) (2000)
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". J. Chem. Inf. Comput. Sci. 39 (3) (1999)
Bo Tao Fan, Annick Panaye, Jianhua Yao, Shengang Yuan, Jean-Pierre Doucet
Geometric symmetry and chemical equivalence. Discrete Mathematical Chemistry (1998)
Ovidiu Ivanciuc, Jean-Pierre Rabine, Daniel Cabrol-Bass, Annick Panaye, Jean-Pierre Doucet
13C NMR Chemical Shift Prediction of the sp3 Carbon Atoms in the Position Relative to the Double Bond in Acyclic Alkenes. J. Chem. Inf. Comput. Sci. 37 (3) (1997)
Bo Tao Fan, Alain Barbu, Annick Panaye, Jean-Pierre Doucet
Detection of Constitutionally Equivalent Sites from a Connection Table. J. Chem. Inf. Comput. Sci. 36 (4) (1996)
Ovidiu Ivanciuc, Jean-Pierre Rabine, Daniel Cabrol-Bass, Annick Panaye, Jean-Pierre Doucet
13C NMR Chemical Shift Prediction of sp2 Carbon Atoms in Acyclic Alkenes Using Neural Networks. J. Chem. Inf. Comput. Sci. 36 (4) (1996)
Annick Panaye, Jean-Pierre Doucet, Bo Tao Fan
Topological approach of carbon-13 NMR spectral simulation: Application to fuzzy substructures. J. Chem. Inf. Comput. Sci. 33 (2) (1993)
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. J. Chem. Inf. Comput. Sci. 33 (5) (1993)
Jean-Pierre Doucet, Annick Panaye, E. Feuilleaubois, P. Ladd
Neural networks and carbon-13 NMR shift prediction. J. Chem. Inf. Comput. Sci. 33 (3) (1993)
Jacques-Emile Dubois, G. Mathieu, P. Peguet, Annick Panaye, Jean-Pierre Doucet
Simulation of infrared spectra: an infrared spectral simulation program (SIRS) which uses DARC topological substructures. J. Chem. Inf. Comput. Sci. 30 (3) (1990)
Jacques-Emile Dubois, S. Y. Yue, Jean-Pierre Doucet
Grid stage modelling functions and molecular vector graphics. Vis. Comput. 2 (6) (1986)