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Alexandre Varnek

Showing results (111-120 of 158) with videos related to

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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.
Molecular Informatics|April 22, 2026
Current Insights on Skin Permeability Data and Quantitative Structure-Property Relationship ModelingFarah Asgarkhanova, Shamkhal Baybekov, Gilles Marcou, et al.
Journal of Chemical Information and Modeling|November 1, 2021
SynthI: A New Open-Source Tool for Synthon-Based Library DesignYuliana Zabolotna, Dmitriy M Volochnyuk, Sergey V Ryabukhin, et al.
Molecular Informatics|November 24, 2018
Bimolecular Nucleophilic Substitution Reactions: Predictive Models for Rate Constants and Molecular Reaction Pairs AnalysisTimur Gimadiev, Timur Madzhidov, Igor Tetko, et al.
The Journal of Physical Chemistry. B|December 16, 2025
Machine Learning-Based Thermodynamic Modeling of Acid Gas Absorption in Aqueous Methyldiethanolamine and Aqueous PiperazineKyrylo Klimenko, Rui Afonso, Paolo Stringari, et al.
Environmental Science & Technology|November 5, 2021
Chemoinformatics-Driven Design of New Physical Solvents for Selective CO<sub>2</sub> AbsorptionAlexey A Orlov, Daryna Yu Demenko, Charles Bignaud, et al.
Molecular Informatics|December 27, 2023
Kinetic solubility: Experimental and machine-learning modeling perspectivesShamkhal Baybekov, Pierre Llompart, Gilles Marcou, et al.
Journal of Chemical Information and Modeling|March 4, 2008
Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformisHao Zhu, Alexander Tropsha, Denis Fourches, et al.
European Journal of Medicinal Chemistry|January 28, 2019
Pros and cons of virtual screening based on public "Big Data": In silico mining for new bromodomain inhibitorsIuri Casciuc, Dragos Horvath, Anastasiia Gryniukova, et al.
Journal of Chemical Information and Modeling|September 23, 2021
QSAR Modeling Based on Conformation Ensembles Using a Multi-Instance Learning ApproachDmitry V Zankov, Mariia Matveieva, Aleksandra V Nikonenko, et al.
Pageof 16

Showing results (111-120 of 158) with videos related to

Sort By:
Pageof 16
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.
Molecular Informatics|April 22, 2026
Current Insights on Skin Permeability Data and Quantitative Structure-Property Relationship ModelingFarah Asgarkhanova, Shamkhal Baybekov, Gilles Marcou, et al.
Journal of Chemical Information and Modeling|November 1, 2021
SynthI: A New Open-Source Tool for Synthon-Based Library DesignYuliana Zabolotna, Dmitriy M Volochnyuk, Sergey V Ryabukhin, et al.
Molecular Informatics|November 24, 2018
Bimolecular Nucleophilic Substitution Reactions: Predictive Models for Rate Constants and Molecular Reaction Pairs AnalysisTimur Gimadiev, Timur Madzhidov, Igor Tetko, et al.
The Journal of Physical Chemistry. B|December 16, 2025
Machine Learning-Based Thermodynamic Modeling of Acid Gas Absorption in Aqueous Methyldiethanolamine and Aqueous PiperazineKyrylo Klimenko, Rui Afonso, Paolo Stringari, et al.
Environmental Science & Technology|November 5, 2021
Chemoinformatics-Driven Design of New Physical Solvents for Selective CO<sub>2</sub> AbsorptionAlexey A Orlov, Daryna Yu Demenko, Charles Bignaud, et al.
Molecular Informatics|December 27, 2023
Kinetic solubility: Experimental and machine-learning modeling perspectivesShamkhal Baybekov, Pierre Llompart, Gilles Marcou, et al.
Journal of Chemical Information and Modeling|March 4, 2008
Combinatorial QSAR modeling of chemical toxicants tested against Tetrahymena pyriformisHao Zhu, Alexander Tropsha, Denis Fourches, et al.
European Journal of Medicinal Chemistry|January 28, 2019
Pros and cons of virtual screening based on public "Big Data": In silico mining for new bromodomain inhibitorsIuri Casciuc, Dragos Horvath, Anastasiia Gryniukova, et al.
Journal of Chemical Information and Modeling|September 23, 2021
QSAR Modeling Based on Conformation Ensembles Using a Multi-Instance Learning ApproachDmitry V Zankov, Mariia Matveieva, Aleksandra V Nikonenko, et al.
Pageof 16