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Alexandre Varnek

Showing results (11-20 of 158) with videos related to

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Journal of Chemical Information and Modeling|November 11, 2020
Trustworthiness, the Key to Grid-Based Map-Driven Predictive Model Enhancement and Applicability Domain ControlDragos Horvath, Gilles Marcou, Alexandre Varnek
Molecules (Basel, Switzerland)|June 21, 2019
Generative Topographic Mapping of the Docking Conformational SpaceDragos Horvath, Gilles Marcou, Alexandre Varnek
Journal of Chemical Information and Modeling|June 5, 2013
Do not hesitate to use Tversky-and other hints for successful active analogue searches with feature count descriptorsDragos Horvath, Gilles Marcou, Alexandre Varnek
Journal of Computer-Aided Molecular Design|April 17, 2014
QSPR ensemble modelling of the 1:1 and 1:2 complexation of Co²⁺, Ni²⁺, and Cu²⁺ with organic ligands: relationships between stability constantsVitaly Solov'ev, Alexandre Varnek, Aslan Tsivadze
Journal of Chemical Information and Modeling|May 7, 2020
"Big Data" Fast Chemoinformatics Model to Predict Generalized Born Radius and Solvent Accessibility as a Function of GeometryDragos Horvath, Gilles Marcou, Alexandre Varnek
Journal of Chemical Information and Modeling|December 18, 2015
Kernel Target Alignment Parameter: A New Modelability Measure for Regression TasksGilles Marcou, Dragos Horvath, Alexandre Varnek
Molecular Informatics|December 19, 2017
Monitoring of the Conformational Space of Dipeptides by Generative Topographic MappingDragos Horvath, Gilles Marcou, Alexandre Varnek
Molecular Informatics|July 28, 2016
The One-Class Classification Approach to Data Description and to Models Applicability DomainIgor I Baskin, Natalia Kireeva, Alexandre Varnek
Molecular Informatics|August 3, 2016
Transductive Support Vector Machines: Promising Approach to Model Small and Unbalanced DatasetsEvgeny Kondratovich, Igor I Baskin, Alexandre Varnek
Molecular Informatics|July 25, 2023
Conjugated quantitative structure-property relationship models: Prediction of kinetic characteristics linked by the Arrhenius equationDmitry Zankov, Timur Madzhidov, Igor Baskin, et al.
Pageof 16

Showing results (11-20 of 158) with videos related to

Sort By:
Pageof 16
Journal of Chemical Information and Modeling|November 11, 2020
Trustworthiness, the Key to Grid-Based Map-Driven Predictive Model Enhancement and Applicability Domain ControlDragos Horvath, Gilles Marcou, Alexandre Varnek
Molecules (Basel, Switzerland)|June 21, 2019
Generative Topographic Mapping of the Docking Conformational SpaceDragos Horvath, Gilles Marcou, Alexandre Varnek
Journal of Chemical Information and Modeling|June 5, 2013
Do not hesitate to use Tversky-and other hints for successful active analogue searches with feature count descriptorsDragos Horvath, Gilles Marcou, Alexandre Varnek
Journal of Computer-Aided Molecular Design|April 17, 2014
QSPR ensemble modelling of the 1:1 and 1:2 complexation of Co²⁺, Ni²⁺, and Cu²⁺ with organic ligands: relationships between stability constantsVitaly Solov'ev, Alexandre Varnek, Aslan Tsivadze
Journal of Chemical Information and Modeling|May 7, 2020
"Big Data" Fast Chemoinformatics Model to Predict Generalized Born Radius and Solvent Accessibility as a Function of GeometryDragos Horvath, Gilles Marcou, Alexandre Varnek
Journal of Chemical Information and Modeling|December 18, 2015
Kernel Target Alignment Parameter: A New Modelability Measure for Regression TasksGilles Marcou, Dragos Horvath, Alexandre Varnek
Molecular Informatics|December 19, 2017
Monitoring of the Conformational Space of Dipeptides by Generative Topographic MappingDragos Horvath, Gilles Marcou, Alexandre Varnek
Molecular Informatics|July 28, 2016
The One-Class Classification Approach to Data Description and to Models Applicability DomainIgor I Baskin, Natalia Kireeva, Alexandre Varnek
Molecular Informatics|August 3, 2016
Transductive Support Vector Machines: Promising Approach to Model Small and Unbalanced DatasetsEvgeny Kondratovich, Igor I Baskin, Alexandre Varnek
Molecular Informatics|July 25, 2023
Conjugated quantitative structure-property relationship models: Prediction of kinetic characteristics linked by the Arrhenius equationDmitry Zankov, Timur Madzhidov, Igor Baskin, et al.
Pageof 16