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Journal of Cheminformatics
|
October 31, 2025
Measuring Chemical LLM robustness to molecular representations: a SMILES variation-based framework
Veronika Ganeeva, Kuzma Khrabrov, Artur Kadurin, et al.
Molecular Pharmaceutics
|
July 14, 2017
druGAN: An Advanced Generative Adversarial Autoencoder Model for de Novo Generation of New Molecules with Desired Molecular Properties in Silico
Artur Kadurin, Sergey Nikolenko, Kuzma Khrabrov, et al.
Journal of Cheminformatics
|
April 29, 2025
LAGNet: better electron density prediction for LCAO-based data and drug-like substances
Konstantin Ushenin, Kuzma Khrabrov, Artem Tsypin, et al.
Oncotarget
|
December 29, 2016
The cornucopia of meaningful leads: Applying deep adversarial autoencoders for new molecule development in oncology
Artur Kadurin, Alexander Aliper, Andrey Kazennov, et al.
Communications Chemistry
|
February 18, 2026
A conformational benchmark for optical property prediction with solvent-aware graph neural networks
Denis Potapov, Sergei Rogovoi, Kuzma Khrabrov, et al.
Briefings in Bioinformatics
|
July 7, 2025
AFToolkit: a framework for molecular modeling of proteins with AlphaFold-derived representations
Maria Sindeeva, Alexander Telepov, Nikita Ivanisenko, et al.
Scientific Reports
|
September 4, 2024
Doping position estimation for FeRh-based alloys
Egor Rumiantsev, Kuzma Khrabrov, Artem Tsypin, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 24, 2022
nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset
Kuzma Khrabrov, Ilya Shenbin, Alexander Ryabov, et al.
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Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Journal of Cheminformatics
|
October 31, 2025
Measuring Chemical LLM robustness to molecular representations: a SMILES variation-based framework
Veronika Ganeeva, Kuzma Khrabrov, Artur Kadurin, et al.
Molecular Pharmaceutics
|
July 14, 2017
druGAN: An Advanced Generative Adversarial Autoencoder Model for de Novo Generation of New Molecules with Desired Molecular Properties in Silico
Artur Kadurin, Sergey Nikolenko, Kuzma Khrabrov, et al.
Journal of Cheminformatics
|
April 29, 2025
LAGNet: better electron density prediction for LCAO-based data and drug-like substances
Konstantin Ushenin, Kuzma Khrabrov, Artem Tsypin, et al.
Oncotarget
|
December 29, 2016
The cornucopia of meaningful leads: Applying deep adversarial autoencoders for new molecule development in oncology
Artur Kadurin, Alexander Aliper, Andrey Kazennov, et al.
Communications Chemistry
|
February 18, 2026
A conformational benchmark for optical property prediction with solvent-aware graph neural networks
Denis Potapov, Sergei Rogovoi, Kuzma Khrabrov, et al.
Briefings in Bioinformatics
|
July 7, 2025
AFToolkit: a framework for molecular modeling of proteins with AlphaFold-derived representations
Maria Sindeeva, Alexander Telepov, Nikita Ivanisenko, et al.
Scientific Reports
|
September 4, 2024
Doping position estimation for FeRh-based alloys
Egor Rumiantsev, Kuzma Khrabrov, Artem Tsypin, et al.
Physical Chemistry Chemical Physics : PCCP
|
October 24, 2022
nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset
Kuzma Khrabrov, Ilya Shenbin, Alexander Ryabov, et al.
Page
of 1