Gilles Marcou
Orcid: 0000-0003-1676-6708
According to our database1,
Gilles Marcou
authored at least 43 papers
between 2007 and 2024.
Collaborative distances:
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Bibliography
2024
Implementation of a soft grading system for chemistry in a Moodle plugin: reaction handling.
J. Cheminformatics, December, 2024
De Novo Drug Design - Do We Really Want to Be "Original"? - A Real-world Case Study on Colchicine-Site Tubulin Binders.
Proceedings of the Artificial Neural Networks and Machine Learning - ICANN 2024, 2024
2023
J. Chem. Inf. Model., September, 2023
GENERA: A Combined Genetic/Deep-Learning Algorithm for Multiobjective Target-Oriented De Novo Design.
J. Chem. Inf. Model., August, 2023
J. Chem. Inf. Model., July, 2023
2022
A Close-up Look at the Chemical Space of Commercially Available Building Blocks for Medicinal Chemistry.
J. Chem. Inf. Model., 2022
J. Chem. Inf. Model., 2022
J. Chem. Inf. Model., 2022
Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using Attention-Based Conditional Variational Autoencoder.
J. Chem. Inf. Model., 2022
J. Cheminformatics, 2022
Bioinform., 2022
2021
2020
Trustworthiness, the Key to Grid-Based Map-Driven Predictive Model Enhancement and Applicability Domain Control.
J. Chem. Inf. Model., 2020
"Big Data" Fast Chemoinformatics Model to Predict Generalized Born Radius and Solvent Accessibility as a Function of Geometry.
J. Chem. Inf. Model., 2020
J. Comput. Aided Mol. Des., 2020
2019
De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping.
J. Chem. Inf. Model., 2019
J. Chem. Inf. Model., 2019
J. Comput. Aided Mol. Des., 2019
2018
J. Comput. Aided Mol. Des., 2018
2017
J. Comput. Aided Mol. Des., 2017
2016
J. Chem. Inf. Model., 2016
Chemical Space Mapping and Structure-Activity Analysis of the ChEMBL Antiviral Compound Set.
J. Chem. Inf. Model., 2016
Prediction of Activity Cliffs Using Condensed Graphs of Reaction Representations, Descriptor Recombination, Support Vector Machine Classification, and Support Vector Regression.
J. Chem. Inf. Model., 2016
2015
J. Chem. Inf. Model., 2015
Chemical Data Visualization and Analysis with Incremental Generative Topographic Mapping: Big Data Challenge.
J. Chem. Inf. Model., 2015
Mappability of drug-like space: towards a polypharmacologically competent map of drug-relevant compounds.
J. Comput. Aided Mol. Des., 2015
2014
J. Comput. Aided Mol. Des., 2014
2013
Do Not Hesitate to Use Tversky - and Other Hints for Successful Active Analogue Searches with Feature Count Descriptors.
J. Chem. Inf. Model., 2013
Generative Topographic Mapping-Based Classification Models and Their Applicability Domain: Application to the Biopharmaceutics Drug Disposition Classification System (BDDCS).
J. Chem. Inf. Model., 2013
Predicting Ligand Binding Modes from Neural Networks Trained on Protein-Ligand Interaction Fingerprints.
J. Chem. Inf. Model., 2013
2012
Models for Identification of Erroneous Atom-to-Atom Mapping of Reactions Performed by Automated Algorithms.
J. Chem. Inf. Model., 2012
Mining Chemical Reactions Using Neighborhood Behavior and Condensed Graphs of Reactions Approaches.
J. Chem. Inf. Model., 2012
2011
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
J. Cheminformatics, 2011
Online chemical modeling environment (OCHEM): web platform for data storage, model development and publishing of chemical information.
J. Comput. Aided Mol. Des., 2011
J. Comput. Aided Mol. Des., 2011
2010
Applicability Domains for Classification Problems: Benchmarking of Distance to Models for Ames Mutagenicity Set.
J. Chem. Inf. Model., 2010
Learning antibacterial activity against S. Aureus on the Chimiothèque Nationale dataset.
J. Cheminformatics, 2010
J. Cheminformatics, 2010
2009
Inductive Transfer of Knowledge: Application of Multi-Task Learning and Feature Net Approaches to Model Tissue-Air Partition Coefficients.
J. Chem. Inf. Model., 2009
Predicting the Predictability: A Unified Approach to the Applicability Domain Problem of QSAR Models.
J. Chem. Inf. Model., 2009
2008
Hot-Spots-Guided Receptor-Based Pharmacophores (HS-Pharm): A Knowledge-Based Approach to Identify Ligand-Anchoring Atoms in Protein Cavities and Prioritize Structure-Based Pharmacophores.
J. Chem. Inf. Model., 2008
2007
Optimizing Fragment and Scaffold Docking by Use of Molecular Interaction Fingerprints.
J. Chem. Inf. Model., 2007