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Journal of Chemical Information and Modeling|December 11, 2013
Generative topographic mapping-based classification models and their applicability domain: application to the biopharmaceutics Drug Disposition Classification System (BDDCS)Héléna A Gaspar, Gilles Marcou, Dragos Horvath, et al.Molecular Informatics|August 4, 2016
Individual Hydrogen-Bond Strength QSPR Modelling with ISIDA Local Descriptors: a Step Towards Polyfunctional MoleculesFiorella Ruggiu, Vitaly Solov'ev, Gilles Marcou, et al.Molecular Informatics|March 26, 2026
Interpretable and Scalable Similarity Metrics for DNA-Encoded Library Design Using Generative Topographic MappingLouis Plyer, Alexey A Orlov, Tagir N Akhmetshin, et al.Bioinformatics (Oxford, England)|February 14, 2022
HIV-1 drug resistance profiling using amino acid sequence space cartographyKarina Pikalyova, Alexey Orlov, Arkadii Lin, et al.Journal of Chemical Information and Modeling|August 27, 2016
Prediction of Activity Cliffs Using Condensed Graphs of Reaction Representations, Descriptor Recombination, Support Vector Machine Classification, and Support Vector RegressionDragos Horvath, Gilles Marcou, Alexandre Varnek, et al.Molecular Informatics|August 23, 2018
Predictive Models for Kinetic Parameters of Cycloaddition ReactionsMarta Glavatskikh, Timur Madzhidov, Dragos Horvath, et al.International Journal of Molecular Sciences|August 7, 2020
Comprehensive Analysis of Applicability Domains of QSPR Models for Chemical ReactionsAssima Rakhimbekova, Timur I Madzhidov, Ramil I Nugmanov, et al.Journal of Chemical Information and Modeling|October 27, 2016
Automatized Assessment of Protective Group Reactivity: A Step Toward Big Reaction Data AnalysisArkadii I Lin, Timur I Madzhidov, Olga Klimchuk, et al.Chemical Science|July 14, 2025
"Node" facilitated thermostable mechanophores for rapid self-strengthening in double network materialsJulong Jiang, Zhi Jian Wang, Ruben Staub, et al.Molecular Informatics|July 25, 2018
Visualization and Analysis of Complex Reaction Data: The Case of Tautomeric EquilibriaMarta Glavatskikh, Timur Madzhidov, Igor I Baskin, et al.Pageof 16