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Journal of Chemical Information and Modeling
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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 Molecules
Fiorella 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 Mapping
Louis 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 cartography
Karina 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 Regression
Dragos Horvath, Gilles Marcou, Alexandre Varnek, et al.
Molecular Informatics
|
August 23, 2018
Predictive Models for Kinetic Parameters of Cycloaddition Reactions
Marta 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 Reactions
Assima 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 Analysis
Arkadii 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 materials
Julong Jiang, Zhi Jian Wang, Ruben Staub, et al.
Molecular Informatics
|
July 25, 2018
Visualization and Analysis of Complex Reaction Data: The Case of Tautomeric Equilibria
Marta Glavatskikh, Timur Madzhidov, Igor I Baskin, et al.
Page
of 16
Search research articles
Search
Showing results (91-100 of 158) with videos related to
Sort By:
Page
of 16
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 Molecules
Fiorella 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 Mapping
Louis 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 cartography
Karina 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 Regression
Dragos Horvath, Gilles Marcou, Alexandre Varnek, et al.
Molecular Informatics
|
August 23, 2018
Predictive Models for Kinetic Parameters of Cycloaddition Reactions
Marta 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 Reactions
Assima 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 Analysis
Arkadii 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 materials
Julong Jiang, Zhi Jian Wang, Ruben Staub, et al.
Molecular Informatics
|
July 25, 2018
Visualization and Analysis of Complex Reaction Data: The Case of Tautomeric Equilibria
Marta Glavatskikh, Timur Madzhidov, Igor I Baskin, et al.
Page
of 16