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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.
Journal of Chemical Information and Modeling
|
August 9, 2023
GENERA: A Combined Genetic/Deep-Learning Algorithm for Multiobjective Target-Oriented De Novo Design
Giuseppe Lamanna, Pietro Delre, Gilles Marcou, et al.
Journal of Computer-Aided Molecular Design
|
April 5, 2017
QSAR modeling and chemical space analysis of antimalarial compounds
Pavel Sidorov, Birgit Viira, Elisabeth Davioud-Charvet, 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
|
August 2, 2016
QSAR Modelling of CYP3A4 Inhibition as a Screening Tool in the Context of DrugDrug Interaction Studies
Véronique Hamon, Dragos Horvath, Cédric Gaudin, 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.
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.
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.
ACS Central Science
|
June 27, 2022
Toward in Silico Modeling of Dynamic Combinatorial Libraries
Iuri Casciuc, Artem Osypenko, Bohdan Kozibroda, et al.
Page
of 11
Search research articles
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Showing results (61-70 of 108) with videos related to
Sort By:
Page
of 11
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.
Journal of Chemical Information and Modeling
|
August 9, 2023
GENERA: A Combined Genetic/Deep-Learning Algorithm for Multiobjective Target-Oriented De Novo Design
Giuseppe Lamanna, Pietro Delre, Gilles Marcou, et al.
Journal of Computer-Aided Molecular Design
|
April 5, 2017
QSAR modeling and chemical space analysis of antimalarial compounds
Pavel Sidorov, Birgit Viira, Elisabeth Davioud-Charvet, 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
|
August 2, 2016
QSAR Modelling of CYP3A4 Inhibition as a Screening Tool in the Context of DrugDrug Interaction Studies
Véronique Hamon, Dragos Horvath, Cédric Gaudin, 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.
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.
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.
ACS Central Science
|
June 27, 2022
Toward in Silico Modeling of Dynamic Combinatorial Libraries
Iuri Casciuc, Artem Osypenko, Bohdan Kozibroda, et al.
Page
of 11