Laurent Gavara

Publication Activity (10 Years)

Years Active: 2021-2023
Publications (10 Years): 3

Top Topics

Molecular Structure

Dimensionality Reduction

Multiple Instance Learning

Top Venues

J. Comput. Chem.

J. Integr. Bioinform.

Publications

Thomas Papastergiou, Jérôme Azé, Sandra Bringay, Maxime Louet, Pascal Poncelet, Miyanou Rosales-Hurtado, Yen Vo-Hoang, Patricia Licznar-Fajardo, Jean-Denis Docquier, Laurent Gavara
Discovering NDM-1 inhibitors using molecular substructure embeddings representations. J. Integr. Bioinform. 20 (2) (2023)
Thomas Papastergiou, Jérôme Azé, Sandra Bringay, Maxime Louet, Pascal Poncelet, Laurent Gavara
Multiple Instance Learning Based on Mol2vec Molecular Substructure Embeddings for Discovery of NDM-1 Inhibitors. PACBB (2022)
Karolina Kwapien, Laurent Gavara, Jean-Denis Docquier, Dorothée Berthomieu, Jean-François Hernandez, Nohad Gresh
Intermolecular interactions of the extended recognition site of VIM-2 metallo-β-lactamase with 1, 2, 4-triazole-3-thione inhibitors. Validations of a polarizable molecular mechanics potential by ab initio QC. J. Comput. Chem. 42 (2) (2021)