Publications by authors named "Philippe Vayer"

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New insights in the in vitro characterisation and molecular modelling of the P-glycoprotein inhibitory promiscuity.
Giovanni Bocci, Amélie Moreau, Philippe Vayer, Claire Denizot, Olivier Fardel

Eur J Pharm Sci· August 2018

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Comprehensive Network Map of ADME-Tox Databases.
Baptiste Canault, Stéphane Bourg, Philippe Vayer, Pascal Bonnet

Mol Inform· October 2017

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ADME-Space: a new tool for medicinal chemists to explore ADME properties.
Giovanni Bocci, Emanuele Carosati, Philippe Vayer, Alban Arrault, Sylvain Lozano

Sci Rep· July 2017

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A Computational Selection of Metabolite Biomarkers Using Emerging Pattern Mining: A Case Study in Human Hepatocellular Carcinoma.
Guillaume Poezevara, Sylvain Lozano, Bertrand Cuissart, Ronan Bureau, Pierre Bureau, Philippe Vayer

J Proteome Res· June 2017

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Integrated structure- and ligand-based in silico approach to predict inhibition of cytochrome P450 2D6.
Virginie Y Martiny, Pablo Carbonell, Florent Chevillard, Gautier Moroy, Arnaud B Nicot, Philippe Vayer

Bioinformatics· December 2015

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Pharmacophore-based discovery of inhibitors of a novel drug/proton antiporter in human brain endothelial hCMEC/D3 cell line.
Hélène Chapy, Laura Goracci, Philippe Vayer, Yannick Parmentier, Pierre-Alain Carrupt

Br J Pharmacol· October 2015

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Generative topographic mapping-based classification models and their applicability domain: application to the biopharmaceutics Drug Disposition Classification System (BDDCS).
Héléna A Gaspar, Gilles Marcou, Dragos Horvath, Alban Arault, Sylvain Lozano, Philippe Vayer

J Chem Inf Model· December 2013

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New QSAR Models for Human Cytochromes P450, 1A2, 2D6 and 3A4 Implicated in the Metabolism of Drugs. Relevance of Dataset on Model Development.
Juan Martinez-Sanz, Pascal Bonnet, Sylvain Lozano, Alban Arrault, Luc Morin-Allory, Philippe Vayer

Mol Inform· July 2013

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In silico prediction of aqueous solubility: a multimodel protocol based on chemical similarity.
Florent Chevillard, David Lagorce, Christelle Reynès, Bruno O Villoutreix, Philippe Vayer

Mol Pharm· November 2012

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QSAR Modelling of CYP3A4 Inhibition as a Screening Tool in the Context of DrugDrug Interaction Studies.
Véronique Hamon, Dragos Horvath, Cédric Gaudin, Julie Desrivot, Céline Junges, Philippe Vayer

Mol Inform· September 2012

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Mining collections of compounds with Screening Assistant 2.
Vincent Le Guilloux, Alban Arrault, Lionel Colliandre, Stéphane Bourg, Philippe Vayer

J Cheminform· August 2012

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Toward in silico structure-based ADMET prediction in drug discovery.
Gautier Moroy, Virginie Y Martiny, Philippe Vayer, Bruno O Villoutreix, Maria A Miteva

Drug Discov Today· January 2012

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Genetic deletion of trace amine 1 receptors reveals their role in auto-inhibiting the actions of ecstasy (MDMA).
Benjamin Di Cara, Roberto Maggio, Gabriella Aloisi, Jean-Michel Rivet, Ebba Gregorsson Lundius, Philippe Vayer

J Neurosci· November 2011

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[Chemoinformatics and virtual screening of molecules for therapeutic use].
Philippe Vayer, Alban Arrault, Brigitte Lesur, Marc Bertrand, Bernard Walther

Med Sci (Paris)· October 2009

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