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Journal of Cheminformatics|January 12, 2021
Inductive transfer learning for molecular activity prediction: Next-Gen QSAR Models with MolPMoFiTXinhao Li, Denis FourchesJournal of Chemical Information and Modeling|March 15, 2021
SMILES Pair Encoding: A Data-Driven Substructure Tokenization Algorithm for Deep LearningXinhao Li, Denis FourchesChemical Research in Toxicology|January 25, 2020
Hierarchical Quantitative Structure-Activity Relationship Modeling Approach for Integrating Binary, Multiclass, and Regression Models of Acute Oral Systemic ToxicityXinhao Li, Nicole C Kleinstreuer, Denis FourchesExpert Opinion on Drug Discovery|September 13, 2019
4D- quantitative structure-activity relationship modeling: making a comebackDenis Fourches, Jeremy AshMolecular Informatics|August 3, 2016
Using Graph Indices for the Analysis and Comparison of Chemical DatasetsDenis Fourches, Alexander TropshaBioinformatics (Oxford, England)|October 17, 2017
RealityConvert: a tool for preparing 3D models of biochemical structures for augmented and virtual realityAlexandre Borrel, Denis FourchesJournal of Chemical Information and Modeling|May 5, 2017
Characterizing the Chemical Space of ERK2 Kinase Inhibitors Using Descriptors Computed from Molecular Dynamics TrajectoriesJeremy Ash, Denis FourchesMolecular Informatics|February 24, 2018
Cheminformatics Analysis of Dynamic WNK-Inhibitor InteractionsMelaine A Kuenemann, Denis FourchesMolecular Informatics|March 8, 2017
Cheminformatics Modeling of Amine Solutions for Assessing their CO2 Absorption PropertiesMelaine A Kuenemann, Denis FourchesJournal of Chemical Information and Modeling|December 19, 2014
Target-specific native/decoy pose classifier improves the accuracy of ligand ranking in the CSAR 2013 benchmarkDenis Fourches, Regina Politi, Alexander TropshaPageof 18