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Marta Glavatskikh

Showing results (1-10 of 13) with videos related to

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Journal of Cheminformatics|October 3, 2021
Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimizationJules Leguy, Marta Glavatskikh, Thomas Cauchy, et al.
Journal of Cheminformatics|January 12, 2021
Dataset's chemical diversity limits the generalizability of machine learning predictionsMarta Glavatskikh, Jules Leguy, Gilles Hunault, et al.
Journal of Cheminformatics|January 12, 2021
EvoMol: a flexible and interpretable evolutionary algorithm for unbiased de novo molecular generationJules Leguy, Thomas Cauchy, Marta Glavatskikh, et al.
Molecular Informatics|August 17, 2016
Predictive Models for the Free Energy of Hydrogen Bonded Complexes with Single and Cooperative Hydrogen BondsMarta Glavatskikh, Timur Madzhidov, Vitaly Solov'ev, et al.
ACS Chemical Biology|December 9, 2022
Enzymatic Macrolactamization of mRNA Display Libraries for Inhibitor SelectionMatthew M Bowler, Marta Glavatskikh, Chad V Pecot, et al.
Molecular Informatics|July 25, 2018
Visualization and Analysis of Complex Reaction Data: The Case of Tautomeric EquilibriaMarta Glavatskikh, Timur Madzhidov, Igor I Baskin, et al.
Molecular Informatics|August 23, 2018
Predictive Models for Kinetic Parameters of Cycloaddition ReactionsMarta Glavatskikh, Timur Madzhidov, Dragos Horvath, et al.
Molecular Informatics|August 6, 2016
Predictive Models for Halogen-bond Basicity of Binding Sites of Polyfunctional MoleculesMarta Glavatskikh, Timur Madzhidov, Vitaly Solov'ev, et al.
European Journal of Medicinal Chemistry|December 10, 2022
Combining pharmacophore models derived from DNA-encoded chemical libraries with structure-based exploration to predict Tankyrase 1 inhibitorsAlba L Montoya, Marta Glavatskikh, Brayden J Halverson, et al.
Nature Communications|July 2, 2024
In silico fragment-based discovery of CIB1-directed anti-tumor agents by FRASE-botYi An, Jiwoong Lim, Marta Glavatskikh, et al.
Pageof 2

Showing results (1-10 of 13) with videos related to

Sort By:
Pageof 2
Journal of Cheminformatics|October 3, 2021
Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimizationJules Leguy, Marta Glavatskikh, Thomas Cauchy, et al.
Journal of Cheminformatics|January 12, 2021
Dataset's chemical diversity limits the generalizability of machine learning predictionsMarta Glavatskikh, Jules Leguy, Gilles Hunault, et al.
Journal of Cheminformatics|January 12, 2021
EvoMol: a flexible and interpretable evolutionary algorithm for unbiased de novo molecular generationJules Leguy, Thomas Cauchy, Marta Glavatskikh, et al.
Molecular Informatics|August 17, 2016
Predictive Models for the Free Energy of Hydrogen Bonded Complexes with Single and Cooperative Hydrogen BondsMarta Glavatskikh, Timur Madzhidov, Vitaly Solov'ev, et al.
ACS Chemical Biology|December 9, 2022
Enzymatic Macrolactamization of mRNA Display Libraries for Inhibitor SelectionMatthew M Bowler, Marta Glavatskikh, Chad V Pecot, et al.
Molecular Informatics|July 25, 2018
Visualization and Analysis of Complex Reaction Data: The Case of Tautomeric EquilibriaMarta Glavatskikh, Timur Madzhidov, Igor I Baskin, et al.
Molecular Informatics|August 23, 2018
Predictive Models for Kinetic Parameters of Cycloaddition ReactionsMarta Glavatskikh, Timur Madzhidov, Dragos Horvath, et al.
Molecular Informatics|August 6, 2016
Predictive Models for Halogen-bond Basicity of Binding Sites of Polyfunctional MoleculesMarta Glavatskikh, Timur Madzhidov, Vitaly Solov'ev, et al.
European Journal of Medicinal Chemistry|December 10, 2022
Combining pharmacophore models derived from DNA-encoded chemical libraries with structure-based exploration to predict Tankyrase 1 inhibitorsAlba L Montoya, Marta Glavatskikh, Brayden J Halverson, et al.
Nature Communications|July 2, 2024
In silico fragment-based discovery of CIB1-directed anti-tumor agents by FRASE-botYi An, Jiwoong Lim, Marta Glavatskikh, et al.
Pageof 2