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Journal Articles
- 2000
[j18]Ovidiu Ivanciuc, Stavros L. Taraviras
, Daniel Cabrol-Bass:
Quasi-orthogonal Basis Sets of Molecular Graph Descriptors as a Chemical Diversity Measure. J. Chem. Inf. Comput. Sci. 40(1): 126-134 (2000)- [j17]Barbara Dbska, Barbara Guzowska-wider, Daniel Cabrol-Bass:
Automatic Generation of Knowledge Base from Infrared Spectral Database for Substructure Recognition. J. Chem. Inf. Comput. Sci. 40(2): 330-338 (2000) - [j16]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. J. Chem. Inf. Comput. Sci. 40(3): 631-643 (2000) - [j15]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. J. Chem. Inf. Comput. Sci. 40(3): 732-743 (2000) - [j14]Stavros L. Taraviras, Ovidiu Ivanciuc, Daniel Cabrol-Bass:
Identification of Groupings of Graph Theoretical Molecular Descriptors Using a Hybrid Cluster Analysis Approach. J. Chem. Inf. Comput. Sci. 40(5): 1128-1146 (2000) - 1999
- [j13]Ovidiu Ivanciuc, Teodora Ivanciuc, Petru A. Filip, Daniel Cabrol-Bass:
Estimation of the Liquid Viscosity of Organic Compounds with a Quantitative Structure-Property Model. J. Chem. Inf. Comput. Sci. 39(3): 515-524 (1999) - 1998
- [j12]Konstantin S. Lebedev, Daniel Cabrol-Bass:
New Computer Aided Methods for Revealing Structural Features of Unknown Compounds Using Low Resolution Mass Spectra. J. Chem. Inf. Comput. Sci. 38(3): 410-419 (1998) - 1997
- [j11]Ovidiu Ivanciuc, Jean-Pierre Rabine, Daniel Cabrol-Bass:
13C NMR Chemical Shift Sum Prediction for Alkanes Using Neural Networks. Comput. Chem. 21(6): 437-443 (1997) - [j10]Thierry Laidboeur, Daniel Cabrol-Bass, Ovidiu Ivanciuc:
Determination of Topo-Geometrical Equivalence Classes of Atoms. J. Chem. Inf. Comput. Sci. 37(1): 87-91 (1997) - [j9]Ovidiu Ivanciuc, Thierry Laidboeur, Daniel Cabrol-Bass:
Degeneracy of Topologic Distance Descriptors for Cubic Molecular Graphs: Examples of Small Fullerenes. J. Chem. Inf. Comput. Sci. 37(3): 485-488 (1997) - [j8]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
- [j7]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. J. Chem. Inf. Comput. Sci. 36(4): 637-643 (1996) - [j6]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) - [j5]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. J. Chem. Inf. Comput. Sci. 36(4): 811-821 (1996) - 1994
- [j4]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. J. Chem. Inf. Comput. Sci. 34(1): 171-178 (1994) - [j3]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. J. Chem. Inf. Comput. Sci. 34(3): 546-557 (1994) - 1993
- [j2]D. Ricard, Claude Cachet, Daniel Cabrol-Bass, Thomas P. Forrest:
Neural network approach to structural feature recognition from infrared spectra. J. Chem. Inf. Comput. Sci. 33(2): 202-210 (1993) - [j1]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 Comput. Appl. 1(4): 229-239 (1993)
Conference and Workshop Papers
- 1996
- [c1]Daniel Cabrol-Bass, Jean-Pierre Rabine, M. Rouillard:
Learning Proton NMR Spectroscopy with Computers... CALISCE 1996: 433-435
Coauthor Index
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