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Lipophilicity and hydrogen-bonding capacity : their role in drug-binding and disposition Testa, Bernard; el Tayar, Nabil; Altomare, Cosimo; Carrupt, Pierre-Alain; Tsai, Ruey-Shiuan 1993
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Physicochemical and structural-properties of nonsteroidal antiinflammatory oxicams Tsai, Ruey-Shiuan; Carrupt, Pierre-Alain; el Tayar, Nabil; Giroud, Y.; ... Tillement, J. P. 1993
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Measurement of partition-coefficients using centrifugal partition chromatography : method development and application to the determination of solute structural-properties Tsai, Ruey-Shiuan; Carrupt, Pierre-Alain; Testa, Bernard 1993
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Influence of stereochemical factors on the partition-coefficient of diastereoisomers in a biphasic octan-1-Ol water-system Tsai, Ruey-Shiuan; Carrupt, Pierre-Alain; Testa, Bernard; el Tayar, Nabil; ... Casy, A. F. 1993
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Effects of Solvation on the Ionization and Conformation of Raclopride and Other Antidopaminergic 6-Methoxysalicylamides - Insight Into the Pharmacophore. [Erratum to document cited in CA118(7):51870w] Tsai, Ruey-Shiuan; Carrupt, Pierre-Alain; Testa, Bernard; Gaillard, Patrick; ... Hogberg, Thomas 1993
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Effects of solvation on the ionization and conformation of raclopride and other antidopaminergic 6-methoxysalicylamides: insight into the pharmacophore Tsai, Ruey-Shiuan; Carrupt, Pierre-Alain; Testa, Bernard; Gaillard, Patrick; ... Hogberg, Thomas 1993
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Solute water interactions in the organic-phase of a biphasic system.1. Structural influence of organic solutes on the water-dragging effect Tsai, Ruey-Shiuan; Fan, W. Z.; el Tayar, Nabil; Carrupt, Pierre-Alain; ... Kier, Lemont B. 1993
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Enantiomeric resolution of sulfoxides on a Dach-Dnb chiral stationary-phase : a quantitative structure-enantioselective retention relationship (Qserr) study Altomare, Cosimo; Carotti, Angelo; Cellamare, S.; Fanelli, F.; ... Testa, Bernard 1993
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The so-called "interconversion" of stereoisomeric drugs: an attempt at clarification Testa, Bernard; Carrupt, Pierre-Alain; Gal, J. 1993
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Conformational-analysis of alpha-methoxyketones : a photoelectron spectroscopic investigation of 3-Methoxybicyclo[2.2.1]Heptan-2-Ones Cossy, J.; Pete, J. P.; Gleiter, R.; Flatow, A.; ... Vogel, Pierre 1992
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Octan-1-Ol-water partition-coefficients of zwitterionic alpha-amino-acids - determination by centrifugal partition chromatography and factorization into steric hydrophobic and polar components el Tayar, Nabil; Tsai, Ruey-Shiuan; Carrupt, Pierre-Alain; Testa, Bernard 1992
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A model for the stereoselectivity of radical mediated reductive alkylation of acyclic enamines Renaud, P.; Bjorup, P.; Carrupt, Pierre-Alain; Schenk, K.; Schubert, S. 1992
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The hydrogen-bonding of drugs : Its experimental-determination and role in pharmacokinetics and pharmacodynamics Testa, Bernard; el Tayar, Nabil; Altomare, Cosimo; Carrupt, Pierre-Alain; ... Carotti, Angelo 1992
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Physicochemical properties and transport behavior of piribedil : considerations on its membrane-crossing potential Tsai, Ruey-Shiuan; el Tayar, Nabil; Carrupt, Pierre-Alain; Testa, Bernard 1992
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Solvatochromic analysis of the retention mechanism of 2 novel stationary phases used for measuring lipophilicity by Rp-Hplc Vallat, P.; Fan, W. Z.; el Tayar, Nabil; Carrupt, Pierre-Alain; Testa, Bernard 1992
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Quantitative structure-metabolism relationship analyses of MAO-mediated toxication of 1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine and analogues Altomare, Cosimo; Carrupt, Pierre-Alain; Gaillard, Patrick; el Tayar, Nabil; ... Carotti, Angelo 1992
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Polar intermolecular interactions encoded in partition-coefficients :an indirect estimation of hydrogen-bond parameters of polyfunctional solutes el Tayar, Nabil; Testa, Bernard; Carrupt, Pierre-Alain 1992
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Comparison of the Performances of the Gaussian and Cadpac-Abinitio Program Packages on Different Computers Bally, T.; Carrupt, Pierre-Alain; Weber, Jacques 1991
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Molecular electrostatic potentials for characterizing drug-biosystem interactions Carrupt, Pierre-Alain; el Tayar, Nabil; Karlen, A.; Testa, Bernard 1991
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The structure of the molecular ion of allyl bromide Carrupt, Pierre-Alain; Riveros, J. M.; Stahl, D. 1991
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Ionization behavior and ionization-dependent conformation of raclopride, a dopamine-D2 receptor antagonist Carrupt, Pierre-Alain; Tsai, Ruey-Shiuan; el Tayar, Nabil; Testa, Bernard; ... Hogberg, Thomas 1991
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Percutaneous penetration of drugs: a quantitative structure-permeability relationship study el Tayar, Nabil; Tsai, Ruey-Shiuan; Testa, Bernard; Carrupt, Pierre-Alain; ... Leo, A. 1991
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Partitioning of solutes in different solvent systems: the contribution of hydrogen-bonding capacity and polarity el Tayar, Nabil; Tsai, Ruey-Shiuan; Testa, Bernard; Carrupt, Pierre-Alain; Leo, A. 1991
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Structure lipophilicity relationships of zwitterionic amino-acids Tsai, Ruey-Shiuan; Testa, Bernard; el Tayar, Nabil; Carrupt, Pierre-Alain 1991
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Morphine 6-Glucuronide and Morphine 3-Glucuronide As Molecular Chameleons with Unexpected Lipophilicity Carrupt, Pierre-Alain; Testa, Bernard; Bechalany, A.; el Tayar, Nabil; ... Perrissoud, D. 1991
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Electronic and Conformational Effects on the Lipophilicity of Isomers and Analogs of the Neurotoxin 1-Methyl-4-Phenylpyridinium (Mpp+) Altomare, Cosimo; Carrupt, Pierre-Alain; el Tayar, Nabil; Testa, Bernard; Nagatsu, T. 1991
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Quantitative structure-affinity relationships of dopamine D2 receptor antagonists - a comparison between orthopramides and 6-methoxysalicylamides de Paulis, Tomas; el Tayar, Nabil; Carrupt, Pierre-Alain; Testa, Bernard; Van de Waterbeemd, Hans 1991
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Toxication of MPTP (1-methyl-4-phenyl-1,2,3,6-tetrahydropyridine) and analogs by monoamine oxidase. A structure-reactivity relationship study Maret, G.; el Tayar, Nabil; Carrupt, Pierre-Alain; Testa, Bernard; ... Baird, M. 1990
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Interaction Between Oxygen Lone-Pair Orbitals of Ether and Alpha,Beta-Unsaturated Ketone Functions in 3,5,6-Trimethylidene-7-Oxabicyclo[2.2.1]Heptan-2-One and 3,6-Dimethylidene-7-Oxabicyclo[2.2.1]Heptane-2,5-Dione - A Pe-Spectroscopic Investigation Roser, K.; Carrupt, Pierre-Alain; Vogel, Pierre; Honegger, E.; Heilbronner, E. 1990
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Through-Bond Interactions of Beta-Carbonyl and Beta-Imine Lone Pairs with Cationic 2P Orbital - Quantum Calculations on Bicyclo[2.2.2]Oct-1-Yl Cation and Derivatives Carrupt, Pierre-Alain; Vogel, Pierre 1990
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The MPTP story: MAO activates tetrahydropyridine derivatives to toxins causing parkinsonism Maret, G.; Testa, Bernard; Jenner, P.; el Tayar, Nabil; Carrupt, Pierre-Alain 1990
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DESBASE, a multiparameter substituent database Van de Waterbeemd, Hans; Carrupt, Pierre-Alain; el Tayar, Nabil 1989
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Pattern recognition study of QSAR substituent descriptors Van de Waterbeemd, Hans; el Tayar, Nabil; Carrupt, Pierre-Alain; Testa, Bernard 1989
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Multivariate data analyses of QSAR parameters Van de Waterbeemd, Hans; Testa, Bernard; Carrupt, Pierre-Alain; el Tayar, Nabil 1989
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The Electron-Donating Carbonyl Group Total Synthesis of Rare Sugars Vogel, Pierre; Carrupt, Pierre-Alain; Deguchteneere, E.; Fattori, D. 1989
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Lipophilicity and conformational behaviour of substituted xanthines Walther, B.; Carrupt, Pierre-Alain; Van de Waterbeemd, Hans; el Tayar, Nabil; Testa, Bernard 1989
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The Carbonyl Group As Homoconjugated Electron-Releasing Substituent - Regioselective Electrophilic Additions at Bicyclo[2.2.1]Hept-5-En-2-One, Bicyclo[2.2.2]Oct-5-En-2-One and Derivatives Carrupt, Pierre-Alain; Vogel, Pierre 1989
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Beta-adrenoceptor modeling based on MEP studies el Tayar, Nabil; Van de Waterbeemd, Hans; Carrupt, Pierre-Alain; Testa, Bernard 1989
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Solvent-dependent lipophilicity and hydrogen-bonding capacity of 2-pyridylalkanols Gryllaki, M.; Van de Waterbeemd, Hans; Testa, Bernard; el Tayar, Nabil; ... Carrupt, Pierre-Alain 1989
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Hydration of substituted benzenes - experimental studies and relationship with lipophilicity Rothlisberger, T.; Testa, Bernard; Van de Waterbeemd, Hans; Carrupt, Pierre-Alain 1989
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Stereoelectronic study of zetidoline, a dopamine D2 receptor antagonist Collin, S.; Evrard, G.; Vercauteren, D. P.; Durant, F.; ... Testa, Bernard 1989
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Isotope effects on the lipophilicity of deuterated caffeines Bechalany, A.; el Tayar, Nabil; Carrupt, Pierre-Alain; Testa, Bernard; ... Brazier, J. L. 1989
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8-Substituted Xanthines As Phosphodiesterase Inhibitors - Conformation-Dependent Lipophilicity and Structure-Activity-Relationships Walther, B.; Carrupt, Pierre-Alain; el Tayar, Nabil; Testa, Bernard 1989
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Synthesis of optically pure tricarbonyliron complexes of 5,6-dimethylidenebicyclo[222]Oct-2-Yl derivatives - crystal-structure and absolute-configuration of (+)-tricarbonyl[(1S,2S,4R,5R,6S)-C,5,6,C-eta-(5,6-fimethylidenebicyclo[2 22]Oct-2-Yl P-bromobenzoate)]iron Carrupt, Pierre-Alain; Berchier, F.; Vogel, Pierre; Pinkerton, A. A.; Schwarzenbach, D. 1988
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Influence of lipophilicity and chirality on the selectivity of ligands for beta 1- and beta 2-adrenoceptors el Tayar, Nabil; Testa, Bernard; Van de Waterbeemd, Hans; Carrupt, Pierre-Alain; Kaumann, A. J. 1988
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Isotope Effects on Lipophilicity and Polarity Falconnet, J. B.; Brazier, J. L.; Testa, Bernard; Carrupt, Pierre-Alain; Van de Waterbeemd, Hans 1988
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Study of Intramolecular Hydrogen-Bonding in Ortho-Anisic Acid and Ortho-Anisamide by O-17 Nmr and Abinitio Mo Calculations Jaccard, G.; Carrupt, Pierre-Alain; Lauterwein, J. 1988
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Synthesis and Circular-Dichroism of 5-Halogenobicyclo[2.2.1]Hept-5-En-2-Ones and 6-Halogenobicyclo[2.2.1]Hept-5-En-2-Ones - Tests for the Dekkers Quantitative Chirality Rule Lettieri, A.; Carrupt, Pierre-Alain; Vogel, Pierre 1988
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The Influence of Hydration and Structure-Promoting Effects on the Viscosity of Binary Solvent Mixtures Rothlisberger, T.; Testa, Bernard; Carrupt, Pierre-Alain; Mayer, J. M.; Etter, J. C. 1988
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Modeling of beta-adrenoceptors based on molecular electrostatic potential studies of agonists and antagonists el Tayar, Nabil; Carrupt, Pierre-Alain; Van de Waterbeemd, Hans; Testa, Bernard 1988
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