Jean-Pierre Doucet

发表

Neural networks and carbon-13 NMR shift prediction

Jean-Pierre Doucet, Annick Panaye, E. Feuilleaubois, 1993, J. Chem. Inf. Comput. Sci..

13C NMR Chemical Shift Prediction of sp2 Carbon Atoms in Acyclic Alkenes Using Neural Networks

Daniel Cabrol-Bass, Ovidiu Ivanciuc, Jean-Pierre Doucet, 1996, J. Chem. Inf. Comput. Sci..

MASSIS: A Mass Spectrum Simulation System. 1. Principle and Method

Jean-Pierre Doucet, Annick Panaye, HaiFeng Chen, 2003, European journal of mass spectrometry.

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..

Computer graphics: Towards realistic images

Jacques Weber, Jean-Pierre Doucet, J. Doucet, 1996 .

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..

Detection of Constitutionally Equivalent Sites from a Connection Table

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

Displaying molecular shapes

Jean-Pierre Doucet, Jacques Weber, 1996 .

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..

Application of neural networks to the 3D-pharmacophore search problem

Jean-Pierre Doucet, Eric Feuilleaubois, Véronique Fabart, 1993 .

Structure-activity modeling of a diverse set of androgen receptor ligands

Jean-Pierre Doucet, Annick Panaye, J. Devillers, 2007 .

Computer graphics: An introduction

Jacques Weber, Jean-Pierre Doucet, 1996 .

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..

Résonance magnétique nucléaire du 13C : effets des substituants alcoylés sur le déplacement chimique du carbone du carbonyle de quelques cétones aliphatiques

Bernard Tiffon, Jacques-Emile Dubois, Jean-Pierre Doucet, 1973 .

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

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

Data Processing in Chemistry with Neural Networks : An Alternate Way in Cases of Fuzzy Data or Incomplete Models

Gilles Mathieu, Jean-Pierre Doucet, Annick Panaye, 1996 .

Derivation and visualization of molecular properties

Jacques Weber, Jean-Pierre Doucet, J. Doucet, 1996 .

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..

Grid stage modelling functions and molecular vector graphics

S. Y. Yue, Jacques-Emile Dubois, Jean-Pierre Doucet, 2005, The Visual Computer.

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

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

Anti-Toxoplasma Activities of 24 Quinolones and Fluoroquinolones In Vitro: Prediction of Activity by Molecular Topology and Virtual Computational Techniques

Rafael Gozalbes, Jean-Pierre Doucet, Pierre-Marie Girard, 2000, Antimicrobial Agents and Chemotherapy.

Quantitative structure property relationship models for the prediction of liquid heat capacity

Ruisheng Zhang, Xiaoyun Zhang, Mancang Liu, 2003 .

MASSIS: A Mass Spectrum Simulation System. 2: Procedures and Performance

Michel Petitjean, Jean-Pierre Doucet, Annick Panaye, 2003, European journal of mass spectrometry.

3D Structural Information: From Property Prediction to Substructure Recognition with Neural Networks

Jean-Pierre Doucet, Annick Panaye, J. Doucet, 1998 .

Nonlinear SVM Approaches to QSPR/QSAR Studies and Drug Design

Jean-Pierre Doucet, Annick Panaye, Florent Barbault, 2007 .

Development of a new device to perform torsional ultrasonic fatigue testing

Israel Marines-Garcia, Claude Bathias, Jean-Pierre Doucet, 2007 .

Comparative classification study of toxicity mechanisms using support vector machines and radial basis function neural networks

Ruisheng Zhang, Mancang Liu, Jean-Pierre Doucet, 2005 .

Insight into the Bioactivity and Metabolism of Human Glucagon Receptor Antagonists from 3D‐QSAR Analyses

Michel Petitjean, Jean-Pierre Doucet, Annick Panaye, 2004 .

Computer-Aided Molecular Design: Theory and Applications

Jacques Weber, Jean-Pierre Doucet, J. Doucet, 1996 .

11 – Molecular similarity

Jean-Pierre Doucet, J. Doucet, 1996 .

Prediction of Quinolone Activity against Mycobacterium avium by Molecular Topology and Virtual Computational Screening

Rafael Gozalbes, Jean-Pierre Doucet, Pierre-Marie Girard, 2000, Antimicrobial Agents and Chemotherapy.

New Strategy of Mass Spectrum Simulation Based on Reduced and Concentrated Knowledge Databases

Michel Petitjean, Jean-Pierre Doucet, Annick Panaye, 2005 .