2000 |
19 | EE | Ovidiu Ivanciuc,
Stavros L. Taraviras,
Daniel Cabrol-Bass:
Quasi-orthogonal Basis Sets of Molecular Graph Descriptors as a Chemical Diversity Measure.
Journal of Chemical Information and Computer Sciences 40(1): 126-134 (2000) |
18 | EE | Barbara Dbska,
Barbara Guzowska-wider,
Daniel Cabrol-Bass:
Automatic Generation of Knowledge Base from Infrared Spectral Database for Substructure Recognition.
Journal of Chemical Information and Computer Sciences 40(2): 330-338 (2000) |
17 | EE | Ovidiu Ivanciuc,
Teodora Ivanciuc,
Daniel Cabrol-Bass,
Alexandru T. Balaban:
Evaluation in Quantitative Structure-Property Relationship Models of Structural Descriptors Derived from Information-Theory Operators.
Journal of Chemical Information and Computer Sciences 40(3): 631-643 (2000) |
16 | EE | Ovidiu Ivanciuc,
Teodora Ivanciuc,
Daniel Cabrol-Bass,
Alexandru T. Balaban:
Comparison of Weighting Schemes for Molecular Graph Descriptors: Application in Quantitative Structure-Retention Relationship Models for Alkylphenols in Gas-Liquid Chromatography.
Journal of Chemical Information and Computer Sciences 40(3): 732-743 (2000) |
15 | EE | Stavros L. Taraviras,
Ovidiu Ivanciuc,
Daniel Cabrol-Bass:
Identification of Groupings of Graph Theoretical Molecular Descriptors Using a Hybrid Cluster Analysis Approach.
Journal of Chemical Information and Computer Sciences 40(5): 1128-1146 (2000) |
1999 |
14 | EE | Ovidiu Ivanciuc,
Teodora Ivanciuc,
Petru A. Filip,
Daniel Cabrol-Bass:
Estimation of the Liquid Viscosity of Organic Compounds with a Quantitative Structure-Property Model.
Journal of Chemical Information and Computer Sciences 39(3): 515-524 (1999) |
1998 |
13 | EE | Konstantin S. Lebedev,
Daniel Cabrol-Bass:
New Computer Aided Methods for Revealing Structural Features of Unknown Compounds Using Low Resolution Mass Spectra.
Journal of Chemical Information and Computer Sciences 38(3): 410-419 (1998) |
1997 |
12 | EE | Ovidiu Ivanciuc,
Jean-Pierre Rabine,
Daniel Cabrol-Bass:
13C NMR Chemical Shift Sum Prediction for Alkanes Using Neural Networks.
Computers & Chemistry 21(6): 437-443 (1997) |
11 | EE | Thierry Laidboeur,
Daniel Cabrol-Bass,
Ovidiu Ivanciuc:
Determination of Topo-Geometrical Equivalence Classes of Atoms.
Journal of Chemical Information and Computer Sciences 37(1): 87-91 (1997) |
10 | EE | Ovidiu Ivanciuc,
Thierry Laidboeur,
Daniel Cabrol-Bass:
Degeneracy of Topologic Distance Descriptors for Cubic Molecular Graphs: Examples of Small Fullerenes.
Journal of Chemical Information and Computer Sciences 37(3): 485-488 (1997) |
9 | EE | 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.
Journal of Chemical Information and Computer Sciences 37(3): 587-598 (1997) |
1996 |
8 | | Daniel Cabrol-Bass,
Jean-Pierre Rabine,
M. Rouillard:
Learning Proton NMR Spectroscopy with Computers...
CALISCE 1996: 433-435 |
7 | EE | Ahmad Eghbaldar,
Thomas P. Forrest,
Daniel Cabrol-Bass,
Aimé Cambon,
Jean-Marie Guigonis:
Identification of Structural Features from Mass Spectrometry Using a Neural Network Approach: Application to Trimethylsilyl Derivatives Used for Medical Diagnosis.
Journal of Chemical Information and Computer Sciences 36(4): 637-643 (1996) |
6 | EE | 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.
Journal of Chemical Information and Computer Sciences 36(4): 644-653 (1996) |
5 | EE | Thierry Laidboeur,
Daniel Cabrol-Bass,
Ovidiu Ivanciuc:
Determination of Topological Equivalence Classes of Atoms and Bonds in C20-C60 Fullerenes Using a New Prolog Coding Program.
Journal of Chemical Information and Computer Sciences 36(4): 811-821 (1996) |
1994 |
4 | EE | Thierry Laidboeur,
Isabelle Laude,
Daniel Cabrol-Bass,
Ivan P. Bangov:
Employment of fuzzy information derived from spectroscopic data toward reducing the redundancy in the process of structure generation.
Journal of Chemical Information and Computer Sciences 34(1): 171-178 (1994) |
3 | EE | Ivan P. Bangov,
Svetlana Simova,
Daniel Cabrol-Bass,
Isabelle Laude:
Computer-assisted structure generation from a gross formula. 6. Reducing the structural redundancy by the employment of 2D NMR spectral information.
Journal of Chemical Information and Computer Sciences 34(3): 546-557 (1994) |
1993 |
2 | EE | D. Ricard,
Claude Cachet,
Daniel Cabrol-Bass,
Thomas P. Forrest:
Neural network approach to structural feature recognition from infrared spectra.
Journal of Chemical Information and Computer Sciences 33(2): 202-210 (1993) |
1 | | Nicolas Sbirrazzuoli,
Claude Cachet,
Daniel Cabrol-Bass,
Thomas P. Forrest:
Indices for the Evaluation of Neural Network Performance as Classifier: Application to Structural Elucidation in Infrared Spectroscopy.
Neural Computing and Applications 1(4): 229-239 (1993) |