Philippe Vayer

发表

Mining Chemical Libraries with "Screening Assistant 2"

Vincent Le Guilloux, Alban Arrault, Lionel Colliandre, 2012, J. Cheminformatics.

Comprehensive Network Map of ADME‐Tox Databases

Stéphane Bourg, Philippe Vayer, Baptiste Canault, 2017, Molecular informatics.

Integrated structure- and ligand-based in silico approach to predict inhibition of cytochrome P450 2D6

Florent Chevillard, Philippe Vayer, Pablo Carbonell, 2015, Bioinform..

Generative Topographic Mapping-Based Classification Models and Their Applicability Domain: Application to the Biopharmaceutics Drug Disposition Classification System (BDDCS)

Alban Arrault, Philippe Vayer, Dragos Horvath, 2013, J. Chem. Inf. Model..

Knowledge Discovery in Pharmaceutical Drug Transport using Emerging Graph Patterns

Alban Arrault, Philippe Vayer, Ronan Bureau, 2014 .

Automatic Discovery of Molecular Graph Patterns Inhibiting Multiple Drug Transporters

Alban Arrault, Philippe Vayer, Ronan Bureau, 2014 .

Mining collections of compounds with Screening Assistant 2

Vincent Le Guilloux, Alban Arrault, Lionel Colliandre, 2012, Journal of Cheminformatics.

Apports chémo- informatique la recherche et l'optimisation des molécules d'intérêt

Alban Arrault, Philippe Vayer, Bernard Walther, 2009 .

ADME-Space: a new tool for medicinal chemists to explore ADME properties

Alban Arrault, Philippe Vayer, Gabriele Cruciani, 2017, Scientific Reports.

QSAR Modelling of CYP3A4 Inhibition as a Screening Tool in the Context of DrugDrug Interaction Studies

Alban Arrault, Philippe Vayer, Dragos Horvath, 2012, Molecular informatics.

Toward in silico structure-based ADMET prediction in drug discovery.

Philippe Vayer, Maria A Miteva, Bruno O Villoutreix, 2012, Drug discovery today.

UPLC–MS retention time prediction: a machine learning approach to metabolite identification in untargeted profiling

Alban Arrault, Philippe Vayer, Sylvain Lozano, 2015, Metabolomics.

In silico prediction of aqueous solubility: a multimodel protocol based on chemical similarity.

Florent Chevillard, Philippe Vayer, Maria A Miteva, 2012, Molecular pharmaceutics.