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Journal of Computer-Aided Molecular Design
|
December 3, 2014
Continuous indicator fields: a novel universal type of molecular fields
Gleb V Sitnikov, Nelly I Zhokhova, Yury A Ustynyuk, et al.
Journal of Chemical Information and Modeling
|
February 21, 2019
De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping
Boris Sattarov, Igor I Baskin, Dragos Horvath, et al.
Journal of Medicinal Chemistry
|
August 23, 2002
Structural basis for understanding structure-activity relationships for the glutamate binding site of the NMDA receptor
Irina G Tikhonova, Igor I Baskin, Vladimir A Palyulin, et al.
Bioorganic & Medicinal Chemistry Letters
|
October 11, 2011
One-class classification as a novel method of ligand-based virtual screening: the case of glycogen synthase kinase 3β inhibitors
Pavel V Karpov, Dmitry I Osolodkin, Igor I Baskin, et al.
International Journal of Molecular Sciences
|
August 7, 2020
Comprehensive Analysis of Applicability Domains of QSPR Models for Chemical Reactions
Assima Rakhimbekova, Timur I Madzhidov, Ramil I Nugmanov, 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.
Journal of Medicinal Chemistry
|
October 28, 2005
Molecular modeling and molecular dynamics simulation of the human A2B adenosine receptor. The study of the possible binding modes of the A2B receptor antagonists
Andrei A Ivanov, Igor I Baskin, Vladimir A Palyulin, et al.
Journal of Chemical Information and Modeling
|
September 23, 2021
QSAR Modeling Based on Conformation Ensembles Using a Multi-Instance Learning Approach
Dmitry V Zankov, Mariia Matveieva, Aleksandra V Nikonenko, et al.
Journal of Chemical Information and Modeling
|
October 23, 2019
Conjugated Quantitative Structure-Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules
Dmitry V Zankov, Timur I Madzhidov, Assima Rakhimbekova, et al.
Scientific Reports
|
February 5, 2021
Discovery of novel chemical reactions by deep generative recurrent neural network
William Bort, Igor I Baskin, Timur Gimadiev, et al.
Page
of 4
Search research articles
Search
Showing results (21-30 of 37) with videos related to
Sort By:
Page
of 4
Journal of Computer-Aided Molecular Design
|
December 3, 2014
Continuous indicator fields: a novel universal type of molecular fields
Gleb V Sitnikov, Nelly I Zhokhova, Yury A Ustynyuk, et al.
Journal of Chemical Information and Modeling
|
February 21, 2019
De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping
Boris Sattarov, Igor I Baskin, Dragos Horvath, et al.
Journal of Medicinal Chemistry
|
August 23, 2002
Structural basis for understanding structure-activity relationships for the glutamate binding site of the NMDA receptor
Irina G Tikhonova, Igor I Baskin, Vladimir A Palyulin, et al.
Bioorganic & Medicinal Chemistry Letters
|
October 11, 2011
One-class classification as a novel method of ligand-based virtual screening: the case of glycogen synthase kinase 3β inhibitors
Pavel V Karpov, Dmitry I Osolodkin, Igor I Baskin, et al.
International Journal of Molecular Sciences
|
August 7, 2020
Comprehensive Analysis of Applicability Domains of QSPR Models for Chemical Reactions
Assima Rakhimbekova, Timur I Madzhidov, Ramil I Nugmanov, 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.
Journal of Medicinal Chemistry
|
October 28, 2005
Molecular modeling and molecular dynamics simulation of the human A2B adenosine receptor. The study of the possible binding modes of the A2B receptor antagonists
Andrei A Ivanov, Igor I Baskin, Vladimir A Palyulin, et al.
Journal of Chemical Information and Modeling
|
September 23, 2021
QSAR Modeling Based on Conformation Ensembles Using a Multi-Instance Learning Approach
Dmitry V Zankov, Mariia Matveieva, Aleksandra V Nikonenko, et al.
Journal of Chemical Information and Modeling
|
October 23, 2019
Conjugated Quantitative Structure-Property Relationship Models: Application to Simultaneous Prediction of Tautomeric Equilibrium Constants and Acidity of Molecules
Dmitry V Zankov, Timur I Madzhidov, Assima Rakhimbekova, et al.
Scientific Reports
|
February 5, 2021
Discovery of novel chemical reactions by deep generative recurrent neural network
William Bort, Igor I Baskin, Timur Gimadiev, et al.
Page
of 4