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Alexandre Varnek

Showing results (81-90 of 158) with videos related to

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Chemistry (Weinheim an Der Bergstrasse, Germany)|July 25, 2013
Synthesis of a strained acetylenic macrocycle incorporating a para-oligo[2]cruciform bridge bent over nanoscopic dimensions: structural, electronic, spectroscopic, and ion-sensing propertiesPaul N W Baxter, Jean-Paul Gisselbrecht, Lydia Karmazin-Brelot, et al.
Journal of Chemical Information and Modeling|July 16, 2016
Structural and Physico-Chemical Interpretation (SPCI) of QSAR Models and Its Comparison with Matched Molecular Pair AnalysisPavel Polishchuk, Oleg Tinkov, Tatiana Khristova, et al.
Molecular Informatics|May 5, 2020
A Chemographic Audit of anti-Coronavirus Structure-activity Information from Public Databases (ChEMBL)Dragos Horvath, Alexey Orlov, Dmitry I Osolodkin, et al.
Journal of Chemical Information and Modeling|January 8, 2009
Inductive transfer of knowledge: application of multi-task learning and feature net approaches to model tissue-air partition coefficientsAlexandre Varnek, Cédric Gaudin, Gilles Marcou, et al.
Journal of Chemical Information and Modeling|January 27, 2021
Combined Graph/Relational Database Management System for Calculated Chemical Reaction Pathway DataTimur Gimadiev, Ramil Nugmanov, Dinar Batyrshin, et al.
Journal of Chemical Information and Modeling|December 31, 2024
SynPlanner: An End-to-End Tool for Synthesis PlanningTagir Akhmetshin, Dmitry Zankov, Philippe Gantzer, et al.
Molecular Informatics|November 24, 2020
Visualization and Analysis of the REACH-chemical Space with Generative Topographic MappingFilippo Lunghini, Marcou Gilles, Philippe Azam, et al.
ACS Central Science|April 27, 2026
Predicting Enantioselectivity via Kinetic Simulations on Gigantic Reaction Path NetworksYu Harabuchi, Ruben Staub, Min Gao, et al.
Journal of Chemical Information and Modeling|August 9, 2023
GENERA: A Combined Genetic/Deep-Learning Algorithm for Multiobjective Target-Oriented De Novo DesignGiuseppe Lamanna, Pietro Delre, Gilles Marcou, et al.
Journal of Computer-Aided Molecular Design|April 5, 2017
QSAR modeling and chemical space analysis of antimalarial compoundsPavel Sidorov, Birgit Viira, Elisabeth Davioud-Charvet, et al.
Pageof 16

Showing results (81-90 of 158) with videos related to

Sort By:
Pageof 16
Chemistry (Weinheim an Der Bergstrasse, Germany)|July 25, 2013
Synthesis of a strained acetylenic macrocycle incorporating a para-oligo[2]cruciform bridge bent over nanoscopic dimensions: structural, electronic, spectroscopic, and ion-sensing propertiesPaul N W Baxter, Jean-Paul Gisselbrecht, Lydia Karmazin-Brelot, et al.
Journal of Chemical Information and Modeling|July 16, 2016
Structural and Physico-Chemical Interpretation (SPCI) of QSAR Models and Its Comparison with Matched Molecular Pair AnalysisPavel Polishchuk, Oleg Tinkov, Tatiana Khristova, et al.
Molecular Informatics|May 5, 2020
A Chemographic Audit of anti-Coronavirus Structure-activity Information from Public Databases (ChEMBL)Dragos Horvath, Alexey Orlov, Dmitry I Osolodkin, et al.
Journal of Chemical Information and Modeling|January 8, 2009
Inductive transfer of knowledge: application of multi-task learning and feature net approaches to model tissue-air partition coefficientsAlexandre Varnek, Cédric Gaudin, Gilles Marcou, et al.
Journal of Chemical Information and Modeling|January 27, 2021
Combined Graph/Relational Database Management System for Calculated Chemical Reaction Pathway DataTimur Gimadiev, Ramil Nugmanov, Dinar Batyrshin, et al.
Journal of Chemical Information and Modeling|December 31, 2024
SynPlanner: An End-to-End Tool for Synthesis PlanningTagir Akhmetshin, Dmitry Zankov, Philippe Gantzer, et al.
Molecular Informatics|November 24, 2020
Visualization and Analysis of the REACH-chemical Space with Generative Topographic MappingFilippo Lunghini, Marcou Gilles, Philippe Azam, et al.
ACS Central Science|April 27, 2026
Predicting Enantioselectivity via Kinetic Simulations on Gigantic Reaction Path NetworksYu Harabuchi, Ruben Staub, Min Gao, et al.
Journal of Chemical Information and Modeling|August 9, 2023
GENERA: A Combined Genetic/Deep-Learning Algorithm for Multiobjective Target-Oriented De Novo DesignGiuseppe Lamanna, Pietro Delre, Gilles Marcou, et al.
Journal of Computer-Aided Molecular Design|April 5, 2017
QSAR modeling and chemical space analysis of antimalarial compoundsPavel Sidorov, Birgit Viira, Elisabeth Davioud-Charvet, et al.
Pageof 16