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Journal of Chemical Information and Modeling
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November 11, 2020
Trustworthiness, the Key to Grid-Based Map-Driven Predictive Model Enhancement and Applicability Domain Control
Dragos Horvath, Gilles Marcou, Alexandre Varnek
Molecules (Basel, Switzerland)
|
June 21, 2019
Generative Topographic Mapping of the Docking Conformational Space
Dragos 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 descriptors
Dragos 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 constants
Vitaly 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 Geometry
Dragos Horvath, Gilles Marcou, Alexandre Varnek
Journal of Chemical Information and Modeling
|
December 18, 2015
Kernel Target Alignment Parameter: A New Modelability Measure for Regression Tasks
Gilles Marcou, Dragos Horvath, Alexandre Varnek
Molecular Informatics
|
December 19, 2017
Monitoring of the Conformational Space of Dipeptides by Generative Topographic Mapping
Dragos Horvath, Gilles Marcou, Alexandre Varnek
Molecular Informatics
|
July 28, 2016
The One-Class Classification Approach to Data Description and to Models Applicability Domain
Igor I Baskin, Natalia Kireeva, Alexandre Varnek
Molecular Informatics
|
August 3, 2016
Transductive Support Vector Machines: Promising Approach to Model Small and Unbalanced Datasets
Evgeny 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 equation
Dmitry Zankov, Timur Madzhidov, Igor Baskin, et al.
Page
of 16
Search research articles
Search
Showing results (11-20 of 158) with videos related to
Sort By:
Page
of 16
Journal of Chemical Information and Modeling
|
November 11, 2020
Trustworthiness, the Key to Grid-Based Map-Driven Predictive Model Enhancement and Applicability Domain Control
Dragos Horvath, Gilles Marcou, Alexandre Varnek
Molecules (Basel, Switzerland)
|
June 21, 2019
Generative Topographic Mapping of the Docking Conformational Space
Dragos 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 descriptors
Dragos 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 constants
Vitaly 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 Geometry
Dragos Horvath, Gilles Marcou, Alexandre Varnek
Journal of Chemical Information and Modeling
|
December 18, 2015
Kernel Target Alignment Parameter: A New Modelability Measure for Regression Tasks
Gilles Marcou, Dragos Horvath, Alexandre Varnek
Molecular Informatics
|
December 19, 2017
Monitoring of the Conformational Space of Dipeptides by Generative Topographic Mapping
Dragos Horvath, Gilles Marcou, Alexandre Varnek
Molecular Informatics
|
July 28, 2016
The One-Class Classification Approach to Data Description and to Models Applicability Domain
Igor I Baskin, Natalia Kireeva, Alexandre Varnek
Molecular Informatics
|
August 3, 2016
Transductive Support Vector Machines: Promising Approach to Model Small and Unbalanced Datasets
Evgeny 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 equation
Dmitry Zankov, Timur Madzhidov, Igor Baskin, et al.
Page
of 16