ISIDA - Platform for Virtual Screening Based on Fragment and Pharmacophoric Descriptors

Alexandre Varnek, Denis Fourches, Dragos Horvath, +7

Current Computer - Aided Drug Design

Drug discovery and development: introduction to the general public and patient groups

Natesh Singh, Philippe Vayer, Shivalika Tanwar, +3

Frontiers in Drug Discovery

Artificial IntelligenceDrug TargetEngineeringSystems PharmacologyDrug Design +15

A specific gamma-hydroxybutyrate receptor ligand possesses both antagonistic and anticonvulsant properties.

Michel Maître, Viviane Hechler, Philippe Vayer, +4

Journal of Pharmacology and Experimental Therapeutics

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, +19

Journal of Neuroscience

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

Giovanni Bocci, Emanuele Carosati, Philippe Vayer, +3

Scientific Reports

Pharmaceutical ScienceDrug TargetEngineeringNew ToolAdme Properties +17

Tryptophan 5‐hydroxylase

C. Cash, Philippe Vayer, Paul Mandel, +1

European Journal of Biochemistry

Conversion of γ‐Hydroxybutyrate to γ‐Aminobutyrate In Vitro

Philippe Vayer, Paul Mandel, Michel Maître

Journal of Neurochemistry

Gamma hydroxybutyrate distribution and turnover rates in discrete brain regions of the rat

Philippe Vayer, Jean‐Daniel Ehrhardt, Serge Gobaille, +2

Neurochemistry International

Gamma Hydroxybutyrate DistributionNeurophysiologyNeuroanatomyPhysiologyNeuroendocrine Mechanism +9

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, +4

Journal of Chemical Information and Modeling

EngineeringDrug ClassClassification MethodData ScienceData Mining +14

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

Arnaud M Wolfer, Sylvain Lozano, Thierry Umbdenstock, +3

Metabolomics

Untargeted ProfilingEngineeringData ScienceData MiningBioanalysis +7