Jean-Pierre Doucet

17 papers Journal 16Unranked 1
YearRankTypeTitle / Venue / Authors
2007 J jnl
MolDiA: A Novel Molecular Diversity Analysis Tool, 1. Principles and Architecture.
J. Chem. Inf. Model.
Ana G. Maldonado, Jean-Pierre Doucet, Michel Petitjean, Bo Tao Fan
2006 J jnl
Benchmarking of Linear and Nonlinear Approaches for Quantitative Structure-Property Relationship Studies of Metal Complexation with Ionophores.
J. Chem. Inf. Model.
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
2004 J jnl
Comparative Study of QSAR/QSPR Correlations Using Support Vector Machines, Radial Basis Function Neural Networks, and Multiple Linear Regression.
J. Chem. Inf. Model.
Xiaojun Yao, Annick Panaye, Jean-Pierre Doucet, Ruisheng Zhang, Haifeng Chen, Mancang Liu, Zhide Hu, Bo Tao Fan
2002 J jnl
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.
Y. H. Xiang, Mancang Liu, X. Y. Zhang, Ruisheng Zhang, Zhide Hu, Bo Tao Fan, Jean-Pierre Doucet, Annick Panaye
2002 J jnl
SIRS-SS: A System for Simulating IR/Raman Spectra, 2. Procedures and Performance.
J. Chem. Inf. Comput. Sci.
Jianhua Yao, Bo Tao Fan, Jean-Pierre Doucet, Annick Panaye, Jianfeng Li, Chuantao Sun, Shengang Yuan
2001 J jnl
SIRS-SS: A System for Simulating IR/Raman Spectra. 1. Substructure/Subspectrum Correlation.
J. Chem. Inf. Comput. Sci.
Jianhua Yao, Bo Tao Fan, Jean-Pierre Doucet, Annick Panaye, Shengang Yuan, Jianfeng Li
2000 J jnl
Ring Perception: Proof of a Formula Calculating the Number of the Smallest Rings in Connected Graphs.
J. Chem. Inf. Comput. Sci.
Michel Petitjean, Bo Tao Fan, Annick Panaye, Jean-Pierre Doucet
1999 J jnl
Comment on "Isomorphism, Automorphism Partitioning, and Canonical Labeling Can Be Solved in Polynomial-Time for Molecular Graphs".
J. Chem. Inf. Comput. Sci.
Bo Tao Fan, Annick Panaye, Jean-Pierre Doucet
1998 — conf
Geometric symmetry and chemical equivalence.
Discrete Mathematical Chemistry
Bo Tao Fan, Annick Panaye, Jianhua Yao, Shengang Yuan, Jean-Pierre Doucet
1997 J jnl
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.
Ovidiu Ivanciuc, Jean-Pierre Rabine, Daniel Cabrol-Bass, Annick Panaye, Jean-Pierre Doucet
1996 J jnl
13C NMR Chemical Shift Prediction of sp2 Carbon Atoms in Acyclic Alkenes Using Neural Networks.
J. Chem. Inf. Comput. Sci.
Ovidiu Ivanciuc, Jean-Pierre Rabine, Daniel Cabrol-Bass, Annick Panaye, Jean-Pierre Doucet
1996 J jnl
Detection of Constitutionally Equivalent Sites from a Connection Table.
J. Chem. Inf. Comput. Sci.
Bo Tao Fan, Alain Barbu, Annick Panaye, Jean-Pierre Doucet
1993 J jnl
Neural networks and carbon-13 NMR shift prediction.
J. Chem. Inf. Comput. Sci.
Jean-Pierre Doucet, Annick Panaye, E. Feuilleaubois, P. Ladd
1993 J jnl
Ring perception. A new algorithm for directly finding the smallest set of smallest rings from a connection table.
J. Chem. Inf. Comput. Sci.
Bo Tao Fan, Annick Panaye, Jean-Pierre Doucet, Alain Barbu
1993 J jnl
Topological approach of carbon-13 NMR spectral simulation: Application to fuzzy substructures.
J. Chem. Inf. Comput. Sci.
Annick Panaye, Jean-Pierre Doucet, Bo Tao Fan
1990 J jnl
Simulation of infrared spectra: an infrared spectral simulation program (SIRS) which uses DARC topological substructures.
J. Chem. Inf. Comput. Sci.
Jacques-Emile Dubois, G. Mathieu, P. Peguet, Annick Panaye, Jean-Pierre Doucet
1986 J jnl
Grid stage modelling functions and molecular vector graphics.
Vis. Comput.
Jacques-Emile Dubois, S. Y. Yue, Jean-Pierre Doucet