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Molecular Informatics
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July 25, 2023
Conjugated quantitative structure-property relationship models: Prediction of kinetic characteristics linked by the Arrhenius equation
Dmitry Zankov, Timur Madzhidov, Igor Baskin, et al.
Molecules (Basel, Switzerland)
|
November 30, 2018
Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures
Alina Kutlushina, Aigul Khakimova, Timur Madzhidov, et al.
Molecules (Basel, Switzerland)
|
April 3, 2019
Correction: Kutlushina, A., et al. Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures. Molecules, 2018, 23, 3094
Alina Kutlushina, Aigul Khakimova, Timur Madzhidov, et al.
Journal of Chemical Information and Modeling
|
October 30, 2023
Multi-Instance Learning Approach to the Modeling of Enantioselectivity of Conformationally Flexible Organic Catalysts
Dmitry Zankov, Timur Madzhidov, Pavel Polishchuk, et al.
International Journal of Molecular Sciences
|
November 24, 2019
Virtual Screening Using Pharmacophore Models Retrieved from Molecular Dynamic Simulations
Pavel Polishchuk, Alina Kutlushina, Dayana Bashirova, 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.
Molecular Informatics
|
August 3, 2021
Multiple Conformer Descriptors for QSAR Modeling
Aleksandra Nikonenko, Dmitry Zankov, Igor Baskin, et al.
Molecular Informatics
|
August 17, 2016
Predictive Models for the Free Energy of Hydrogen Bonded Complexes with Single and Cooperative Hydrogen Bonds
Marta Glavatskikh, Timur Madzhidov, Vitaly Solov'ev, 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.
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.
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Search research articles
Search
Showing results (1-10 of 19) with videos related to
Sort By:
Page
of 2
Molecular Informatics
|
July 25, 2023
Conjugated quantitative structure-property relationship models: Prediction of kinetic characteristics linked by the Arrhenius equation
Dmitry Zankov, Timur Madzhidov, Igor Baskin, et al.
Molecules (Basel, Switzerland)
|
November 30, 2018
Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures
Alina Kutlushina, Aigul Khakimova, Timur Madzhidov, et al.
Molecules (Basel, Switzerland)
|
April 3, 2019
Correction: Kutlushina, A., et al. Ligand-Based Pharmacophore Modeling Using Novel 3D Pharmacophore Signatures. Molecules, 2018, 23, 3094
Alina Kutlushina, Aigul Khakimova, Timur Madzhidov, et al.
Journal of Chemical Information and Modeling
|
October 30, 2023
Multi-Instance Learning Approach to the Modeling of Enantioselectivity of Conformationally Flexible Organic Catalysts
Dmitry Zankov, Timur Madzhidov, Pavel Polishchuk, et al.
International Journal of Molecular Sciences
|
November 24, 2019
Virtual Screening Using Pharmacophore Models Retrieved from Molecular Dynamic Simulations
Pavel Polishchuk, Alina Kutlushina, Dayana Bashirova, 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.
Molecular Informatics
|
August 3, 2021
Multiple Conformer Descriptors for QSAR Modeling
Aleksandra Nikonenko, Dmitry Zankov, Igor Baskin, et al.
Molecular Informatics
|
August 17, 2016
Predictive Models for the Free Energy of Hydrogen Bonded Complexes with Single and Cooperative Hydrogen Bonds
Marta Glavatskikh, Timur Madzhidov, Vitaly Solov'ev, 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.
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.
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of 2