Alban Lepailleur

发表

Consensus QSAR Related to Global or MOA Models: Application to Acute Toxicity for Fish

S. Rault, Sylvain Lozano, M. Halm-Lemeille, 2010, Molecular informatics.

hERG toxicity assessment: Useful guidelines for drug design.

S. Mignani, Alban Lepailleur, Amanda Garrido, 2020, European journal of medicinal chemistry.

A Computational Selection of Metabolite Biomarkers Using Emerging Pattern Mining: A Case Study in Human Hepatocellular Carcinoma.

P. Vayer, Sylvain Lozano, Alban Lepailleur, 2017, Journal of proteome research.

Interpretation of honeybees contact toxicity associated to acetylcholinesterase inhibitors.

S. Rault, F. Dulin, Sylvain Lozano, 2012, Ecotoxicology and environmental safety.

Phe369(7.38) at human 5‐HT7 receptors confers interspecies selectivity to antagonists and partial agonists

J. Åqvist, M. Loza, H. Gutiérrez‐de‐Terán, 2010, British journal of pharmacology.

Structure-activity relationships of serotonin 5-HT7 receptors ligands: A review.

Alban Lepailleur, C. Rochais, Sangeetha-Laura Thirumaran, 2019, European journal of medicinal chemistry.

Phenylpyrroles, a new chemolibrary virtual screening class of 5-HT7 receptor ligands.

H. Vaudry, S. Rault, Magalie Paillet-Loilier, 2005, Bioorganic & medicinal chemistry letters.

Acute toxicity of 8 antidepressants: what are their modes of action?

J. Lebel, M. Halm-Lemeille, Alban Lepailleur, 2014, Chemosphere.

Synthesis of dual AChE/5-HT4 receptor multi-target directed ligands

Jana Sopkova-de Oliveira Santos, S. Corvaisier, F. Dulin, 2012 .

Novel antagonists of serotonin-4 receptors: synthesis and biological evaluation of pyrrolothienopyrazines.

B. Pfeiffer, S. Rault, F. Lezoualc’h, 2009, Bioorganic & medicinal chemistry.

Comparing chemical fingerprints for ecotoxicology

J. Ramon, K. Grave, Leander Schietgat, 2013 .

New Pharmacophore Fingerprints and Weight‐matrix Learning for Virtual Screening. Application to Bcr‐Abl Data

J. Lamotte, Alban Lepailleur, R. Bureau, 2022, Molecular informatics.

Deciphering a Pharmacophore Network: A Case Study Using BCR-ABL Data

J. Lamotte, Alban Lepailleur, R. Bureau, 2022, J. Chem. Inf. Model..

Four Partners, Three‐Step, One‐Pot Reaction for a Library of New 2‐Alkyl(dialkyl)aminoquinazolin‐4(3H)‐ones

Aurélien Lesnard, S. Rault, Rémi Legay, 2014 .

Synthesis and Biological Evaluation of Thienopyrrolizines, a New Family of CDK/GSK-3 Inhibitors

Jana Sopkova-de Oliveira Santos, L. Meijer, S. Rault, 2004, Journal of enzyme inhibition and medicinal chemistry.

The Pharmacophore Network: A Computational Method for Exploring Structure-Activity Relationships from a Large Chemical Data Set.

Jean-Philippe Métivier, Alban Lepailleur, R. Bureau, 2018, Journal of medicinal chemistry.

Conformation and Dynamics of Human Urotensin II and Urotensin Related Peptide in Aqueous Solution

Timothy Clark, Jonathan W. Essex, Jana Sopkova-de Oliveira Santos, 2017, J. Chem. Inf. Model..

Assessment of the genotoxic and carcinogenic potentials of 3‐aminothiophene derivatives using in vitro and in silico methodologies

P. Vasseur, M. Halm-Lemeille, Alban Lepailleur, 2014, Journal of applied toxicology : JAT.

Automated detection of structural alerts (chemical fragments) in (eco)toxicology

Ronan Bureau, Alban Lepailleur, Guillaume Poezevara, 2013, Computational and structural biotechnology journal.

Molecular Modeling Studies Focused on 5-HT7 versus 5-HT1A Selectivity. Discovery of Novel Phenylpyrrole Derivatives with High Affinity for 5-HT7 Receptors

Aurélien Lesnard, Frédéric Fabis, Ronan Bureau, 2005, J. Chem. Inf. Model..

Novel aminoethylbiphenyls as 5-HT7 receptor ligands.

H. Vaudry, Aurélien Lesnard, S. Rault, 2007, Bioorganic & medicinal chemistry letters.

Discovering Structural Alerts for Mutagenicity Using Stable Emerging Molecular Patterns

Aleksey Buzmakov, Amedeo Napoli, Ronan Bureau, 2015, J. Chem. Inf. Model..

Skypattern mining: From pattern condensed representations to dynamic constraint satisfaction problems

Patrice Boizumault, Chedy Raïssi, Bruno Crémilleux, 2017, Artif. Intell..

Dynamic microfluidic single-cell screening identifies pheno-tuning compounds to potentiate tuberculosis therapy

J. Tinevez, S. LaPlante, G. Manina, 2023, bioRxiv.

Automated detection of toxicophores and prediction of mutagenicity using PMCSFG algorithm

J. Ramon, Leander Schietgat, B. Crémilleux, 2022, Molecular informatics.

Prediction of acute toxicity in fish by using QSAR methods and chemical modes of action

Ronan Bureau, Sylvain Rault, Alban Lepailleur, 2010, Journal of enzyme inhibition and medicinal chemistry.

Receptor- and Ligand-Based Study on Novel 2, 2′-Bithienyl Derivatives as Non-Peptidic AANAT Inhibitors

Xiao Feng, Jana Sopkova-de Oliveira Santos, Ronan Bureau, 2010, J. Chem. Inf. Model..

Dual Histamine H3R/Serotonin 5-HT4R Ligands with Antiamnesic Properties: Pharmacophore-Based Virtual Screening and Polypharmacology

Aurélien Lesnard, Ronan Bureau, Sylvain Rault, 2014, J. Chem. Inf. Model..

Novel antagonists of serotonin-4 receptors: synthesis and biological evaluation of pyrrolothienopyrazines.

B. Pfeiffer, S. Rault, F. Lezoualc’h, 2009, Bioorganic & medicinal chemistry.