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Journal of Cheminformatics
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February 3, 2023
Generative model based on junction tree variational autoencoder for HOMO value prediction and molecular optimization
Vladimir Kondratyev, Marian Dryzhakov, Timur Gimadiev, et al.
Journal of Cheminformatics
|
February 27, 2026
Graph-based transformer to predict the octanol-water partition coefficient
Vyacheslav Grigorev, Nikita Serov, Timur Gimadiev, et al.
Molecules (Basel, Switzerland)
|
January 10, 2026
Conditional Variational AutoEncoder to Predict Suitable Conditions for Hydrogenation Reactions
Daniyar Mazitov, Timur Gimadiev, Assima Poyezzhayeva, et al.
Journal of Computer-Aided Molecular Design
|
July 29, 2017
Structure-reactivity modeling using mixture-based representation of chemical reactions
Pavel Polishchuk, Timur Madzhidov, Timur Gimadiev, et al.
Angewandte Chemie (International Ed. in English)
|
January 23, 2023
Predicting Highly Enantioselective Catalysts Using Tunable Fragment Descriptors
Nobuya Tsuji, Pavel Sidorov, Chendan Zhu, et al.
Journal of Chemical Information and Modeling
|
November 29, 2021
CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical Data
Timur Gimadiev, Ramil Nugmanov, Aigul Khakimova, et al.
Journal of Chemical Information and Modeling
|
January 27, 2021
Combined Graph/Relational Database Management System for Calculated Chemical Reaction Pathway Data
Timur Gimadiev, Ramil Nugmanov, Dinar Batyrshin, et al.
Molecular Informatics
|
August 23, 2018
Predictive Models for Kinetic Parameters of Cycloaddition Reactions
Marta Glavatskikh, Timur Madzhidov, Dragos Horvath, et al.
Molecular Informatics
|
July 25, 2018
Visualization and Analysis of Complex Reaction Data: The Case of Tautomeric Equilibria
Marta Glavatskikh, Timur Madzhidov, Igor I Baskin, et al.
Molecular Informatics
|
November 24, 2018
Bimolecular Nucleophilic Substitution Reactions: Predictive Models for Rate Constants and Molecular Reaction Pairs Analysis
Timur Gimadiev, Timur Madzhidov, Igor Tetko, et al.
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Search research articles
Search
Showing results (1-10 of 11) with videos related to
Sort By:
Page
of 2
Journal of Cheminformatics
|
February 3, 2023
Generative model based on junction tree variational autoencoder for HOMO value prediction and molecular optimization
Vladimir Kondratyev, Marian Dryzhakov, Timur Gimadiev, et al.
Journal of Cheminformatics
|
February 27, 2026
Graph-based transformer to predict the octanol-water partition coefficient
Vyacheslav Grigorev, Nikita Serov, Timur Gimadiev, et al.
Molecules (Basel, Switzerland)
|
January 10, 2026
Conditional Variational AutoEncoder to Predict Suitable Conditions for Hydrogenation Reactions
Daniyar Mazitov, Timur Gimadiev, Assima Poyezzhayeva, et al.
Journal of Computer-Aided Molecular Design
|
July 29, 2017
Structure-reactivity modeling using mixture-based representation of chemical reactions
Pavel Polishchuk, Timur Madzhidov, Timur Gimadiev, et al.
Angewandte Chemie (International Ed. in English)
|
January 23, 2023
Predicting Highly Enantioselective Catalysts Using Tunable Fragment Descriptors
Nobuya Tsuji, Pavel Sidorov, Chendan Zhu, et al.
Journal of Chemical Information and Modeling
|
November 29, 2021
CGRdb2.0: A Python Database Management System for Molecules, Reactions, and Chemical Data
Timur Gimadiev, Ramil Nugmanov, Aigul Khakimova, et al.
Journal of Chemical Information and Modeling
|
January 27, 2021
Combined Graph/Relational Database Management System for Calculated Chemical Reaction Pathway Data
Timur Gimadiev, Ramil Nugmanov, Dinar Batyrshin, et al.
Molecular Informatics
|
August 23, 2018
Predictive Models for Kinetic Parameters of Cycloaddition Reactions
Marta Glavatskikh, Timur Madzhidov, Dragos Horvath, et al.
Molecular Informatics
|
July 25, 2018
Visualization and Analysis of Complex Reaction Data: The Case of Tautomeric Equilibria
Marta Glavatskikh, Timur Madzhidov, Igor I Baskin, et al.
Molecular Informatics
|
November 24, 2018
Bimolecular Nucleophilic Substitution Reactions: Predictive Models for Rate Constants and Molecular Reaction Pairs Analysis
Timur Gimadiev, Timur Madzhidov, Igor Tetko, et al.
Page
of 2