Annick Panaye

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..

Simulation of infrared spectra: an infrared spectral simulation program (SIRS) which uses DARC topological substructures

Jacques-Emile Dubois, Annick Panaye, G. Mathieu, 1990, J. Chem. Inf. Comput. Sci..

DARC system: notions of defined and generic substructures. Filiation and coding of FREL substructure (SS) classes

Jacques-Emile Dubois, Annick Panaye, Roger Attias, 1987, J. Chem. Inf. Comput. Sci..

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..

Actual 3D Models

Annick Panaye, Jean Doucet, 2011 .

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..

DARC topological descriptors for pattern recognition in molecular database management systems and design

Jacques-Emile Dubois, Annick Panaye, Gerard Carrier, 1991, J. Chem. Inf. Comput. Sci..

13C NMR Chemical Shift Prediction of the sp3 Carbon Atoms in the Position Relative to the Double Bond in Acyclic Alkenes

Daniel Cabrol-Bass, Jean-Pierre Rabine, Ovidiu Ivanciuc, 1997, J. Chem. Inf. Comput. Sci..

Free Energy Calculation: Extensive Sampling and Simplified Models

Annick Panaye, Jean Doucet, 2011 .

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

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

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..

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..

Topological structural information in the CAS file: statistical occurrences of DARC concentric fragments. 1. Basic carbon substructures

Jacques-Emile Dubois, Annick Panaye, Gerard Carrier, 1990, J. Chem. Inf. Comput. Sci..

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 .

DARC-SYNOPSYS. Designing specific reaction data banks: application to KETO-REACT

Jacques-Emile Dubois, Annick Panaye, R. Picchiottino, 1984, J. Chem. Inf. Comput. Sci..

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..

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

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

Comparative Molecular Field Analysis

Annick Panaye, Jean Doucet, 2011 .

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 .

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 .

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

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

Three Dimensional QSAR: Applications in Pharmacology and Toxicology

Annick Panaye, Jean Doucet, 2010 .