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2000 – 2009
- 2004
[j17]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): 1257-1266 (2004)- 2002
- [j16]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): 199-207 (2002) - [j15]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): 592-597 (2002) - 2001
- [j14]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): 1046-1052 (2001) - 2000
- [j13]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): 1015-1017 (2000)
1990 – 1999
- 1999
- [j12]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): 630-631 (1999) - 1998
- [c1]Bo Tao Fan, Annick Panaye, Jianhua Yao, Shengang Yuan, Jean-Pierre Doucet:
Geometric symmetry and chemical equivalence. Discrete Mathematical Chemistry 1998: 129-138 - 1997
- [j11]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): 587-598 (1997) - 1996
- [j10]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): 644-653 (1996) - [j9]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): 654-659 (1996) - 1993
- [j8]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): 258-265 (1993) - [j7]Jean-Pierre Doucet, Annick Panaye, E. Feuilleaubois, P. Ladd:
Neural networks and carbon-13 NMR shift prediction. J. Chem. Inf. Comput. Sci. 33(3): 320-324 (1993) - [j6]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): 657-662 (1993) - 1991
- [j5]Jacques-Emile Dubois, Gerard Carrier, Annick Panaye:
DARC topological descriptors for pattern recognition in molecular database management systems and design. J. Chem. Inf. Comput. Sci. 31(4): 574-578 (1991) - 1990
- [j4]Gerard Carrier, Annick Panaye, Jacques-Emile Dubois:
Topological structural information in the CAS file: statistical occurrences of DARC concentric fragments. 1. Basic carbon substructures. J. Chem. Inf. Comput. Sci. 30(2): 110-121 (1990) - [j3]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): 290-302 (1990)
1980 – 1989
- 1987
- [j2]Jacques-Emile Dubois, Annick Panaye, Roger Attias:
DARC system: notions of defined and generic substructures. Filiation and coding of FREL substructure (SS) classes. J. Chem. Inf. Comput. Sci. 27(2): 74-82 (1987) - 1984
- [j1]R. Picchiottino, G. Georgoulis, G. Sicouri, Annick Panaye, Jacques-Emile Dubois:
DARC-SYNOPSYS. Designing specific reaction data banks: application to KETO-REACT. J. Chem. Inf. Comput. Sci. 24(4): 241-249 (1984)
Coauthor Index
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