D. Cabrol-Bass

发表

Development of neural networks for identification of structural features from mass spectral data.

A. Eghbaldar, T. P. Forrest, D. Cabrol-Bass, 1998 .

Advantages of a hierarchical system of neural-networks for the interpretation of infrared spectra in structure determination

T. P. Forrest, D. Cabrol-Bass, Christophe Cleva, 1997 .

Theoretical interpretation of the observed diastereoisomeric differentiation of cis- and trans-2-methylcyclohexanol in the gas phase mediated by scandium(I)

S. Antonczak, S. Géribaldi, D. Cabrol-Bass, 2003 .

Honey characterization and adulteration detection by pattern recognition applied on HPAEC-PAD profiles. 1. Honey floral species characterization.

D. Cabrol-Bass, C. Cordella, J. S. Militão, 2003, Journal of agricultural and food chemistry.

DFT study of quercetin activated forms involved in antiradical, antioxidant, and prooxidant biological processes.

Daniel Cabrol-Bass, Jérôme Golebiowski, Serge Antonczak, 2007, Journal of agricultural and food chemistry.

Comparative Receptor Surface Analysis (CoRSA) Model for Calcium Channel Antagonists

O. Ivanciuc, T. Ivanciuc, D. Cabrol-Bass, 2001, SAR and QSAR in environmental research.

Synthesis and antiviral activity of ethidium-arginine conjugates directed against the TAR RNA of HIV-1.

C. Bailly, R. Terreux, D. Cabrol-Bass, 1999, Journal of medicinal chemistry.

Use of differential scanning calorimetry (DSC) as a new technique for detection of adulteration in honeys. 1. Study of adulteration effect on honey thermal behavior.

N. Sbirrazzuoli, J. Faucon, D. Cabrol-Bass, 2002, Journal of agricultural and food chemistry.

Combinatorial problems in the treatment of fuzzy 13C NMR spectral information in the process of computer-aided structure elucidation: Estimation of the carbon atom hybridization and α-environment states☆

D. Cabrol-Bass, I. Bangov, I. Laude, 1994 .

A simple method for automated pretreatment of usable chromatographic profiles in pattern-recognition procedures: application to HPAEC–PAD chromatograms of honeys

D. Cabrol-Bass, C. Cordella, J. S. Militão, 2003, Analytical and bioanalytical chemistry.

New Computer Aided Methods for Revealing Structural Features of Unknown Compounds Using Low Resolution Mass Spectra.

D. Cabrol-Bass, K. S. Lebedev, 1998 .

Molecular simulations enlighten the binding mode of quercetin to lipoxygenase‐3

S. Antonczak, S. Fiorucci, D. Cabrol-Bass, 2008, Proteins.

Structure validation in computer-supported structure elucidation: 13C NMR shift predictions for steroids

D. Cabrol-Bass, M. Ferreira, V. Emerenciano, 2003 .

Sharing an Olfactory Experience: The Impact of Oral Communication.

Tobias Scheer, Thierry Baccino, Daniel Cabrol-Bass, 2010 .

Oxygenolysis of flavonoid compounds: DFT description of the mechanism for quercetin.

S. Antonczak, S. Fiorucci, D. Cabrol-Bass, 2004, Chemphyschem : a European journal of chemical physics and physical chemistry.

Intramolecular allyl transfer reaction from allyl ether to aldehyde groups: experimental and theoretical studies.

S. Antonczak, D. Cabrol-Bass, Montserrat Gómez, 2002, Chemistry.

Cyclic PNA-based compound directed against HIV-1 TAR RNA: modelling, liquid-phase synthesis and TAR binding.

C. Bailly, C. Di Giorgio, R. Terreux, 2004, Organic & biomolecular chemistry.

Molecular simulations bring new insights into flavonoid/quercetinase interaction modes

S. Antonczak, S. Fiorucci, D. Cabrol-Bass, 2007, Proteins.

Molecular simulations reveal a new entry site in quercetin 2,3‐dioxygenase. A pathway for dioxygen?

S. Antonczak, S. Fiorucci, D. Cabrol-Bass, 2006, Proteins.

Modelling, synthesis and biological evaluation of an ethidium-arginine conjugate linked to a ribonuclease mimic directed against TAR RNA of HIV-1.

C. Bailly, C. Di Giorgio, R. Terreux, 2002, European journal of medicinal chemistry.

C NMR Chemical Shift Prediction of sp 2 Carbon Atoms in Acyclic Alkenes Using Neural Networks

O. Ivanciuc, J. Doucet, A. Panaye, 1997 .

Theoretical investigations of the role played by quercetinase enzymes upon the flavonoids oxygenolysis mechanism.

S. Antonczak, S. Fiorucci, D. Cabrol-Bass, 2009, Physical chemistry chemical physics : PCCP.

Chemosystematic studies of natural compounds isolated from Asteraceae: characterization of tribes by principal component analysis

Sandra A. V. Alvarenga, D. Cabrol-Bass, M. Ferreira, 2001 .

Chemotaxonomic study of Artemisia. An approach based on multivariate statistics of skeletal types retrieved from essential oils

D. Cabrol-Bass, M. Ferreira, V. Emerenciano, 2006 .

How does human odorant binding protein bind odorants? The case of aldehydes studied by molecular dynamics

D. Cabrol-Bass, J. Golebiowski, Landry Charlier, 2009 .

Mechanistic events underlying odorant binding protein chemoreception

S. Antonczak, S. Fiorucci, D. Cabrol-Bass, 2007, Proteins.

Molecular dynamics studies of odorant binding protein free of ligand and complexed to pyrazine and octenol

S. Antonczak, D. Cabrol-Bass, J. Golebiowski, 2006 .

Interaction of new PNA-based molecules with TAR RNA of HIV-1: molecular modelling and biological evaluation.

R. Terreux, D. Cabrol-Bass, R. Condom, 2001, Journal of molecular graphics & modelling.

Application of DSC as a tool for honey floral species characterization and adulteration detection

N. Sbirrazzuoli, J. Faucon, D. Cabrol-Bass, 2003 .

Cyclic PNA hexamer-based compound: modelling, synthesis and inhibition of the HIV-1 RNA dimerization process

F. Jossinet, C. D. Giorgio, B. Ehresmann, 2002 .

Identification of Groupings of Graph Theoretical Molecular Descriptors Using a Hybrid Cluster Analysis Approach

Daniel Cabrol-Bass, Ovidiu Ivanciuc, Stavros L. Taraviras, 2000, J. Chem. Inf. Comput. Sci..

Closing loop base pairs in RNA loop–loop complexes: structural behavior, interaction energy and solvation analysis through molecular dynamics simulations

S. Antonczak, D. Cabrol-Bass, J. Golebiowski, 2004, Journal of molecular modeling.

Molecular dynamics simulation of hepatitis C virus IRES IIId domain: structural behavior, electrostatic and energetic analysis

S. Antonczak, D. Cabrol-Bass, J. Golebiowski, 2004, Journal of molecular modeling.

Amphiphilic anionic analogues of galactosylceramide: synthesis, anti-HIV-1 activity, and gp120 binding.

J. Fantini, P. Vierling, J. Greiner, 2001, Journal of medicinal chemistry.

The molecular basis of olfactory chemoreception.

U. Meierhenrich, D. Cabrol-Bass, X. Fernandez, 2004, Angewandte Chemie.

Chemical Evolution in the Asteraceae. The Oxidation– Reduction Mechanism and Production of Secondary Metabolites

Sandra A. V. Alvarenga, D. Cabrol-Bass, M. Scotti, 2006 .

13C NMR Chemical Shift Sum Prediction for Alkanes Using Neural Networks

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

Comparison of Weighting Schemes for Molecular Graph Descriptors: Application in Quantitative Structure-Retention Relationship Models for Alkylphenols in Gas-Liquid Chromatography

Daniel Cabrol-Bass, Ovidiu Ivanciuc, Teodora Ivanciuc, 2000, J. Chem. Inf. Comput. Sci..

Detection and quantification of honey adulteration via direct incorporation of sugar syrups or bee-feeding: preliminary study using high-performance anion exchange chromatography with pulsed amperometric detection (HPAEC-PAD) and chemometrics

Daniel Cabrol-Bass, Júlio Sancho Linhares Teixeira Militão, Christophe B. Y. Cordella, 2005 .

QSAR for dihydrofolate reductase inhibitors with molecular graph structural descriptors

Daniel Cabrol-Bass, Ovidiu Ivanciuc, Teodora Ivanciuc, 2002 .

Estimation of the Liquid Viscosity of Organic Compounds with a Quantitative Structure-Property Model

Daniel Cabrol-Bass, Ovidiu Ivanciuc, Teodora Ivanciuc, 1999, J. Chem. Inf. Comput. Sci..

Computer-assisted structure generation from a gross formula. 6. Reducing the structural redundancy by the employment of 2D NMR spectral information

Daniel Cabrol-Bass, Svetlana Simova, Ivan P. Bangov, 1994, J. Chem. Inf. Comput. Sci..

Automatic Generation of Knowledge Base from Infrared Spectral Database for Substructure Recognition

Daniel Cabrol-Bass, Barbara Dbska, Barbara Guzowska-wider, 2000, J. Chem. Inf. Comput. Sci..

Identification of Structural Features from Mass Spectrometry Using a Neural Network Approach: Application to Trimethylsilyl Derivatives Used for Medical Diagnosis

Daniel Cabrol-Bass, Thomas P. Forrest, Ahmad Eghbaldar, 1996, J. Chem. Inf. Comput. Sci..

Neural network approach to structural feature recognition from infrared spectra

Daniel Cabrol-Bass, D. Ricard, Claude Cachet, 1993, J. Chem. Inf. Comput. Sci..

Indices for the evaluation of neural network performance as classifier: Application to structural elucidation in infrared spectroscopy

Daniel Cabrol-Bass, Thomas P. Forrest, Nicolas Sbirrazzuoli, 1993, Neural Computing & Applications.

■ Modeling properties of water-based paints dried by microwaves from the design and analysis of a mixture-process experiment

D. Cabrol-Bass, A. Trapani, S. Barra, 2000 .

Density functional theory investigations on acid-catalysed epoxide oxidative ring-opening by DMSO. competition between oxidation processes

D. Cabrol-Bass, J. Golebiowski, S. Antoniotti, 2006 .

New Computer Aided Methods for Revealing Structural Features of Unknown Compounds Using Low Resolution Mass Spectra

Daniel Cabrol-Bass, Konstantin S. Lebedev, D. Cabrol-Bass, 1998, J. Chem. Inf. Comput. Sci..

Quasi-orthogonal Basis Sets of Molecular Graph Descriptors as a Chemical Diversity Measure

Daniel Cabrol-Bass, Ovidiu Ivanciuc, Stavros L. Taraviras, 2000, J. Chem. Inf. Comput. Sci..

Computer-aided determination of glycerol in food products with GlycerolSoft, a tool for assessing the quality of food

Daniel Cabrol-Bass, Christophe B.Y. Cordella, Jean-Francois Antinelli, 2003 .

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..

Deciphering the selectivity of Bombyx mori pheromone binding protein for bombykol over bombykal: a theoretical approach.

S. Antonczak, D. Cabrol-Bass, J. Golebiowski, 2008, Chemphyschem : a European journal of chemical physics and physical chemistry.

Modeling of the Interaction between New Ethidium Derivatives and TAR RNA of HIV-1

R. Terreux, D. Cabrol-Bass, V. Peytou, 1999, J. Chem. Inf. Comput. Sci..

Evaluation in Quantitative Structure-Property Relationship Models of Structural Descriptors Derived from Information-Theory Operators

Daniel Cabrol-Bass, Ovidiu Ivanciuc, Teodora Ivanciuc, 2000, J. Chem. Inf. Comput. Sci..

Determination of Topo-Geometrical Equivalence Classes of Atoms

Daniel Cabrol-Bass, Ovidiu Ivanciuc, Thierry Laidboeur, 1997, J. Chem. Inf. Comput. Sci..

Determination of Topological Equivalence Classes of Atoms and Bonds in C20-C60 Fullerenes Using a New Prolog Coding Program

Daniel Cabrol-Bass, Ovidiu Ivanciuc, Thierry Laidboeur, 1996, J. Chem. Inf. Comput. Sci..

Degeneracy of Topologic Distance Descriptors for Cubic Molecular Graphs: Examples of Small Fullerenes

Daniel Cabrol-Bass, Ovidiu Ivanciuc, Thierry Laidboeur, 1997, J. Chem. Inf. Comput. Sci..