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Gilles Marcou

Showing results (61-70 of 94) with videos related to

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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 RegressionDragos Horvath, Gilles Marcou, Alexandre Varnek, et al.
Molecular Informatics|August 23, 2018
Predictive Models for Kinetic Parameters of Cycloaddition ReactionsMarta Glavatskikh, Timur Madzhidov, Dragos Horvath, et al.
Regulatory Toxicology and Pharmacology : RTP|April 17, 2024
Benchmarking of BMDC assay and related QSAR study for identifying sensitizing chemicalsLisa Chedik, Shamkhal Baybekov, Gilles Marcou, et al.
ACS Central Science|June 27, 2022
Toward in Silico Modeling of Dynamic Combinatorial LibrariesIuri Casciuc, Artem Osypenko, Bohdan Kozibroda, et al.
Chemmedchem|March 8, 2016
Redox Polypharmacology as an Emerging Strategy to Combat Malarial ParasitesPavel Sidorov, Israel Desta, Matthieu Chessé, et al.
Molecular Informatics|July 25, 2018
Visualization and Analysis of Complex Reaction Data: The Case of Tautomeric EquilibriaMarta Glavatskikh, Timur Madzhidov, Igor I Baskin, et al.
Molecular Informatics|August 6, 2016
Predictive Models for Halogen-bond Basicity of Binding Sites of Polyfunctional MoleculesMarta Glavatskikh, Timur Madzhidov, Vitaly Solov'ev, et al.
Journal of Chemical Information and Modeling|November 4, 2022
Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using Attention-Based Conditional Variational AutoencoderWilliam Bort, Daniyar Mazitov, Dragos Horvath, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 6, 2015
Electrochemical properties of substituted 2-methyl-1,4-naphthoquinones: redox behavior predictionsMourad Elhabiri, Pavel Sidorov, Elena Cesar-Rodo, et al.
Analytical Chemistry|February 1, 2014
Quantitative structure-property relationship modeling: a valuable support in high-throughput screening quality controlFiorella Ruggiu, Patrick Gizzi, Jean-Luc Galzi, et al.
Pageof 10

Showing results (61-70 of 94) with videos related to

Sort By:
Pageof 10
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 RegressionDragos Horvath, Gilles Marcou, Alexandre Varnek, et al.
Molecular Informatics|August 23, 2018
Predictive Models for Kinetic Parameters of Cycloaddition ReactionsMarta Glavatskikh, Timur Madzhidov, Dragos Horvath, et al.
Regulatory Toxicology and Pharmacology : RTP|April 17, 2024
Benchmarking of BMDC assay and related QSAR study for identifying sensitizing chemicalsLisa Chedik, Shamkhal Baybekov, Gilles Marcou, et al.
ACS Central Science|June 27, 2022
Toward in Silico Modeling of Dynamic Combinatorial LibrariesIuri Casciuc, Artem Osypenko, Bohdan Kozibroda, et al.
Chemmedchem|March 8, 2016
Redox Polypharmacology as an Emerging Strategy to Combat Malarial ParasitesPavel Sidorov, Israel Desta, Matthieu Chessé, et al.
Molecular Informatics|July 25, 2018
Visualization and Analysis of Complex Reaction Data: The Case of Tautomeric EquilibriaMarta Glavatskikh, Timur Madzhidov, Igor I Baskin, et al.
Molecular Informatics|August 6, 2016
Predictive Models for Halogen-bond Basicity of Binding Sites of Polyfunctional MoleculesMarta Glavatskikh, Timur Madzhidov, Vitaly Solov'ev, et al.
Journal of Chemical Information and Modeling|November 4, 2022
Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using Attention-Based Conditional Variational AutoencoderWilliam Bort, Daniyar Mazitov, Dragos Horvath, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)|January 6, 2015
Electrochemical properties of substituted 2-methyl-1,4-naphthoquinones: redox behavior predictionsMourad Elhabiri, Pavel Sidorov, Elena Cesar-Rodo, et al.
Analytical Chemistry|February 1, 2014
Quantitative structure-property relationship modeling: a valuable support in high-throughput screening quality controlFiorella Ruggiu, Patrick Gizzi, Jean-Luc Galzi, et al.
Pageof 10