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Drug Discovery Today. Technologies
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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
Combinatorial Chemistry & High Throughput Screening
|
April 28, 2011
Fragment-based drug design: computational & experimental state of the art
Laurent Hoffer, Jean-Paul Renaud, Dragos Horvath
Journal of Chemical Information and Modeling
|
March 30, 2013
In silico fragment-based drug discovery: setup and validation of a fragment-to-lead computational protocol using S4MPLE
Laurent Hoffer, Jean-Paul Renaud, Dragos Horvath
Molecular Informatics
|
April 20, 2017
Generative Topographic Mapping of Conformational Space
Dragos Horvath, Igor Baskin, Gilles Marcou, et al.
Molecular Informatics
|
March 18, 2025
CoLiNN: A Tool for Fast Chemical Space Visualization of Combinatorial Libraries Without Enumeration
Regina Pikalyova, Tagir Akhmetshin, Dragos Horvath, et al.
Molecular Informatics
|
July 28, 2016
ISIDA Property-Labelled Fragment Descriptors
Fiorella Ruggiu, Gilles Marcou, Alexandre Varnek, et al.
Journal of Chemical Information and Modeling
|
July 14, 2016
Chemical Space Mapping and Structure-Activity Analysis of the ChEMBL Antiviral Compound Set
Kyrylo Klimenko, Gilles Marcou, Dragos Horvath, et al.
Page
of 11
Search research articles
Search
Showing results (11-20 of 108) with videos related to
Sort By:
Page
of 11
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
Combinatorial Chemistry & High Throughput Screening
|
April 28, 2011
Fragment-based drug design: computational & experimental state of the art
Laurent Hoffer, Jean-Paul Renaud, Dragos Horvath
Journal of Chemical Information and Modeling
|
March 30, 2013
In silico fragment-based drug discovery: setup and validation of a fragment-to-lead computational protocol using S4MPLE
Laurent Hoffer, Jean-Paul Renaud, Dragos Horvath
Molecular Informatics
|
April 20, 2017
Generative Topographic Mapping of Conformational Space
Dragos Horvath, Igor Baskin, Gilles Marcou, et al.
Molecular Informatics
|
March 18, 2025
CoLiNN: A Tool for Fast Chemical Space Visualization of Combinatorial Libraries Without Enumeration
Regina Pikalyova, Tagir Akhmetshin, Dragos Horvath, et al.
Molecular Informatics
|
July 28, 2016
ISIDA Property-Labelled Fragment Descriptors
Fiorella Ruggiu, Gilles Marcou, Alexandre Varnek, et al.
Journal of Chemical Information and Modeling
|
July 14, 2016
Chemical Space Mapping and Structure-Activity Analysis of the ChEMBL Antiviral Compound Set
Kyrylo Klimenko, Gilles Marcou, Dragos Horvath, et al.
Page
of 11