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Journal of Chemical Information and Modeling
|
January 24, 2007
Optimizing fragment and scaffold docking by use of molecular interaction fingerprints
Gilles Marcou, Didier Rognan
Journal of Chemical Information and Modeling
|
June 24, 2008
Hot-spots-guided receptor-based pharmacophores (HS-Pharm): a knowledge-based approach to identify ligand-anchoring atoms in protein cavities and prioritize structure-based pharmacophores
Caterina Barillari, Gilles Marcou, Didier Rognan
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
Drug Discovery Today. Technologies
|
January 2, 2021
Generative topographic mapping in drug design
Dragos Horvath, Gilles Marcou, Alexandre Varnek
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)
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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
Molecular Informatics
|
July 28, 2016
ISIDA Property-Labelled Fragment Descriptors
Fiorella Ruggiu, Gilles Marcou, Alexandre Varnek, et al.
Page
of 10
Search research articles
Search
Showing results (1-10 of 94) with videos related to
Sort By:
Page
of 10
Journal of Chemical Information and Modeling
|
January 24, 2007
Optimizing fragment and scaffold docking by use of molecular interaction fingerprints
Gilles Marcou, Didier Rognan
Journal of Chemical Information and Modeling
|
June 24, 2008
Hot-spots-guided receptor-based pharmacophores (HS-Pharm): a knowledge-based approach to identify ligand-anchoring atoms in protein cavities and prioritize structure-based pharmacophores
Caterina Barillari, Gilles Marcou, Didier Rognan
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
Drug Discovery Today. Technologies
|
January 2, 2021
Generative topographic mapping in drug design
Dragos Horvath, Gilles Marcou, Alexandre Varnek
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
Molecular Informatics
|
July 28, 2016
ISIDA Property-Labelled Fragment Descriptors
Fiorella Ruggiu, Gilles Marcou, Alexandre Varnek, et al.
Page
of 10