Neural network approach to structural feature recognition from infrared spectra. - D. Ricard; Claude Cachet; Daniel Cabrol-Bass; Thomas P. Forrest (J. Chem. Inf. Comput. Sci., 1993)

Indices for the Evaluation of Neural Network Performance as Classifier: Application to Structural Elucidation in Infrared Spectroscopy. - Nicolas Sbirrazzuoli; Claude Cachet; Daniel Cabrol-Bass; Thomas P. Forrest (Neural Comput. Appl., 1993)

Computer-assisted structure generation from a gross formula. 6. Reducing the structural redundancy by the employment of 2D NMR spectral information. - Ivan P. Bangov; Svetlana Simova; Daniel Cabrol-Bass; Isabelle Laude (J. Chem. Inf. Comput. Sci., 1994)

Employment of fuzzy information derived from spectroscopic data toward reducing the redundancy in the process of structure generation. - Thierry Laidboeur; Isabelle Laude; Daniel Cabrol-Bass; Ivan P. Bangov (J. Chem. Inf. Comput. Sci., 1994)

Learning Proton NMR Spectroscopy with Computers... - Daniel Cabrol-Bass; Jean-Pierre Rabine; M. Rouillard (CALISCE, 1996)

Identification of Structural Features from Mass Spectrometry Using a Neural Network Approach: Application to Trimethylsilyl Derivatives Used for Medical Diagnosis. - Ahmad Eghbaldar; Thomas P. Forrest; Daniel Cabrol-Bass; Aimé Cambon; Jean-Marie Guigonis (J. Chem. Inf. Comput. Sci., 1996)

13C NMR Chemical Shift Prediction of sp2 Carbon Atoms in Acyclic Alkenes Using Neural Networks. - Ovidiu Ivanciuc; Jean-Pierre Rabine; Daniel Cabrol-Bass; Annick Panaye; Jean-Pierre Doucet (J. Chem. Inf. Comput. Sci., 1996)

Determination of Topological Equivalence Classes of Atoms and Bonds in C20-C60 Fullerenes Using a New Prolog Coding Program. - Thierry Laidboeur; Daniel Cabrol-Bass; Ovidiu Ivanciuc (J. Chem. Inf. Comput. Sci., 1996)

13C NMR Chemical Shift Sum Prediction for Alkanes Using Neural Networks. - Ovidiu Ivanciuc; Jean-Pierre Rabine; Daniel Cabrol-Bass (Comput. Chem., 1997)

Degeneracy of Topologic Distance Descriptors for Cubic Molecular Graphs: Examples of Small Fullerenes. - Ovidiu Ivanciuc; Thierry Laidboeur; Daniel Cabrol-Bass (J. Chem. Inf. Comput. Sci., 1997)

13C NMR Chemical Shift Prediction of the sp3 Carbon Atoms in the Position Relative to the Double Bond in Acyclic Alkenes. - Ovidiu Ivanciuc; Jean-Pierre Rabine; Daniel Cabrol-Bass; Annick Panaye; Jean-Pierre Doucet (J. Chem. Inf. Comput. Sci., 1997)

Determination of Topo-Geometrical Equivalence Classes of Atoms. - Thierry Laidboeur; Daniel Cabrol-Bass; Ovidiu Ivanciuc (J. Chem. Inf. Comput. Sci., 1997)

New Computer Aided Methods for Revealing Structural Features of Unknown Compounds Using Low Resolution Mass Spectra. - Konstantin S. Lebedev; Daniel Cabrol-Bass (J. Chem. Inf. Comput. Sci., 1998)

Estimation of the Liquid Viscosity of Organic Compounds with a Quantitative Structure-Property Model. - Ovidiu Ivanciuc; Teodora Ivanciuc; Petru A. Filip; Daniel Cabrol-Bass (J. Chem. Inf. Comput. Sci., 1999)

Automatic Generation of Knowledge Base from Infrared Spectral Database for Substructure Recognition. - Barbara Dbska; Barbara Guzowska-wider; Daniel Cabrol-Bass (J. Chem. Inf. Comput. Sci., 2000)

Evaluation in Quantitative Structure-Property Relationship Models of Structural Descriptors Derived from Information-Theory Operators. - Ovidiu Ivanciuc; Teodora Ivanciuc; Daniel Cabrol-Bass; Alexandru T. Balaban (J. Chem. Inf. Comput. Sci., 2000)

Comparison of Weighting Schemes for Molecular Graph Descriptors: Application in Quantitative Structure-Retention Relationship Models for Alkylphenols in Gas-Liquid Chromatography. - Ovidiu Ivanciuc; Teodora Ivanciuc; Daniel Cabrol-Bass; Alexandru T. Balaban (J. Chem. Inf. Comput. Sci., 2000)

Quasi-orthogonal Basis Sets of Molecular Graph Descriptors as a Chemical Diversity Measure. - Ovidiu Ivanciuc; Stavros L. Taraviras; Daniel Cabrol-Bass (J. Chem. Inf. Comput. Sci., 2000)

Identification of Groupings of Graph Theoretical Molecular Descriptors Using a Hybrid Cluster Analysis Approach. - Stavros L. Taraviras; Ovidiu Ivanciuc; Daniel Cabrol-Bass (J. Chem. Inf. Comput. Sci., 2000)