Gilles Marcou

Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information

Iurii Sushko, Sergii Novotarskyi, Robert Körner et al. · Journal of Computer-Aided Molecular Design · 2011 · 687 citations · Full text

Pharmacy, Chemistry, Computational Chemistry +16

Optimizing Fragment and Scaffold Docking by Use of Molecular Interaction Fingerprints

Gilles Marcou, Didier Rognan · Journal of Chemical Information and Modeling · 2006 · 408 citations

Pharmacy, Bioinformatics, Medicinal Chemistry +17

Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set

Iurii Sushko, Sergii Novotarskyi, Robert Körner et al. · Journal of Chemical Information and Modeling · 2010 · 259 citations · Full text

Pharmacy, Toxicology, Computational Biology +16

CoMPARA: Collaborative Modeling Project for Androgen Receptor Activity

Kamel Mansouri, Nicole Kleinstreuer, Ahmed M. Abdelaziz et al. · Environmental Health Perspectives · 2020 · 214 citations · Full text

Pharmacy, Endocrinology, Toxicology +17

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

Alexandre Varnek, Denis Fourches, Dragos Horvath et al. · Current Computer - Aided Drug Design · 2008 · 204 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17