Publications by authors named "Sergey Sosnin"

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Chemical space visual navigation in the era of deep learning and Big Data.
Sergey Sosnin

Drug Discov Today· July 2025

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BigSolDB 2.0, dataset of solubility values for organic compounds in different solvents at various temperatures.
Lev Krasnov, Dmitry Malikov, Marina Kiseleva, Sergei Tatarin, Sergey Sosnin

Sci Data· July 2025

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MolCompass: multi-tool for the navigation in chemical space and visual validation of QSAR/QSPR models.
Sergey Sosnin

J Cheminform· August 2024

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The macrocycle inhibitor landscape of SLC-transporter.
Nejra Granulo, Sergey Sosnin, Daniela Digles, Gerhard F Ecker

Mol Inform· May 2024

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ProteoMutaMetrics: machine learning approaches for solute carrier family 6 mutation pathogenicity prediction.
Jiahui Huang, Tanja Osthushenrich, Aidan MacNamara, Anders Mälarstig, Silvia Brocchetti, Sergey Sosnin

RSC Adv· April 2024

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Identifying Differences in the Performance of Machine Learning Models for Off-Targets Trained on Publicly Available and Proprietary Data Sets.
Aljoša Smajić, Iris Rami, Sergey Sosnin, Gerhard F Ecker

Chem Res Toxicol· August 2023

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Improvement of multi-task learning by data enrichment: application for drug discovery.
Ekaterina A Sosnina, Sergey Sosnin, Maxim V Fedorov

J Comput Aided Mol Des· April 2023

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PyFragMS-A Web Tool for the Investigation of the Collision-Induced Fragmentation Pathways.
Yury Kostyukevich, Sergey Sosnin, Sergey Osipenko, Oxana Kovaleva, Lidiia Rumiantseva

ACS Omega· March 2022

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Exploring Chemical Reaction Space with Reaction Difference Fingerprints and Parametric t-SNE.
Mikhail Andronov, Maxim V Fedorov, Sergey Sosnin

ACS Omega· November 2021

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Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite.
Kamel Mansouri, Agnes L Karmaus, Jeremy Fitzpatrick, Grace Patlewicz, Prachi Pradeep, Sergey Sosnin

Environ Health Perspect· October 2021

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Erratum: CATMoS: Collaborative Acute Toxicity Modeling Suite.
Kamel Mansouri, Agnes Karmaus, Jeremy Fitzpatrick, Grace Patlewicz, Prachi Pradeep, Sergey Sosnin

Environ Health Perspect· July 2021

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Transformer-based artificial neural networks for the conversion between chemical notations.
Lev Krasnov, Ivan Khokhlov, Maxim V Fedorov, Sergey Sosnin

Sci Rep· July 2021

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CATMoS: Collaborative Acute Toxicity Modeling Suite.
Kamel Mansouri, Agnes L Karmaus, Jeremy Fitzpatrick, Grace Patlewicz, Prachi Pradeep, Sergey Sosnin

Environ Health Perspect· April 2021

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Machine learning to predict retention time of small molecules in nano-HPLC.
Sergey Osipenko, Inga Bashkirova, Sergey Sosnin, Oxana Kovaleva, Maxim Fedorov

Anal Bioanal Chem· November 2020

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Recommender Systems in Antiviral Drug Discovery.
Ekaterina A Sosnina, Sergey Sosnin, Anastasia A Nikitina, Ivan Nazarov, Dmitry I Osolodkin

ACS Omega· June 2020

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graphDelta: MPNN Scoring Function for the Affinity Prediction of Protein-Ligand Complexes.
Dmitry S Karlov, Sergey Sosnin, Maxim V Fedorov, Petr Popov

ACS Omega· March 2020

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Hydrogen/Deuterium Exchange Aiding Compound Identification for LC-MS and MALDI Imaging Lipidomics.
Yury Kostyukevich, Gleb Vladimirov, Elena Stekolschikova, Daniil Ivanov, Arthur Yablokov, Sergey Sosnin

Anal Chem· November 2019

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A Survey of Multi-task Learning Methods in Chemoinformatics.
Sergey Sosnin, Mariia Vashurina, Michael Withnall, Pavel Karpov, Maxim Fedorov

Mol Inform· April 2019

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Comparative Study of Multitask Toxicity Modeling on a Broad Chemical Space.
Sergey Sosnin, Dmitry Karlov, Igor V Tetko, Maxim V Fedorov

J Chem Inf Model· March 2019

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Chemical space exploration guided by deep neural networks.
Dmitry S Karlov, Sergey Sosnin, Igor V Tetko, Maxim V Fedorov

RSC Adv· February 2019

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3D matters! 3D-RISM and 3D convolutional neural network for accurate bioaccumulation prediction.
Sergey Sosnin, Maksim Misin, David S Palmer, Maxim V Fedorov

J Phys Condens Matter· August 2018

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Influence of Descriptor Implementation on Compound Ranking Based on Multiparameter Assessment.
Ekaterina A Sosnina, Dmitry I Osolodkin, Eugene V Radchenko, Sergey Sosnin, Vladimir A Palyulin

J Chem Inf Model· May 2018

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