Publications by authors named "Maxim Fedorov"

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Towards Explainable Computational Toxicology: Linking Antitargets to Rodent Acute Toxicity.
Ilia Nikitin, Igor Morgunov, Victor Safronov, Anna Kalyuzhnaya, Maxim Fedorov

Pharmaceutics· December 2025

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Analysis of the Toxicological Profile of Manden. Metabolites Using Methods.
Anna E Rassabina, Maxim V Fedorov

Plants (Basel)· October 2025

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Expanding Predictive Capacities in Toxicology: Insights from Hackathon-Enhanced Data and Model Aggregation.
Dmitrii O Shkil, Alina A Muhamedzhanova, Philipp I Petrov, Ekaterina V Skorb, Timur A Aliev, Maxim V Fedorov

Molecules· April 2024

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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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Biphenyl scaffold for the design of NMDA-receptor negative modulators: molecular modeling, synthesis, and biological activity.
Dmitry S Karlov, Nadezhda S Temnyakova, Dmitry A Vasilenko, Oleg I Barygin, Mikhail Y Dron, Maxim V Fedorov

RSC Med Chem· July 2022

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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, Maxim Fedorov

ACS Omega· March 2022

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How risky is it to visit a supermarket during the pandemic?
Alexey A Tsukanov, Alexandra M Senjkevich, Maxim V Fedorov, Nikolai V Brilliantov

PLoS One· November 2021

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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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Evolution of MEG: A first MEG-feasible fluxgate magnetometer.
Nikolay Koshev, Anna Butorina, Ekaterina Skidchenko, Alexey Kuzmichev, Alexei Ossadtchi, Maxim Fedorov

Hum Brain Mapp· October 2021

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

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, Maxim Fedorov

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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Electroencephalographic Source Reconstruction by the Finite-Element Approximation of the Elliptic Cauchy Problem.
Mikhail Malovichko, Nikolay Koshev, Nikolay Yavich, Alexandra Razorenova, Maxim Fedorov

IEEE Trans Biomed Eng· June 2021

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

Environ Health Perspect· April 2021

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Baseline Model for Predicting Protein-Ligand Unbinding Kinetics through Machine Learning.
Nurlybek Amangeldiuly, Dmitry Karlov, Maxim V Fedorov

J Chem Inf Model· December 2020

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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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Optical Mapping-Validated Machine Learning Improves Atrial Fibrillation Driver Detection by Multi-Electrode Mapping.
Alexander M Zolotarev, Brian J Hansen, Ekaterina A Ivanova, Katelynn M Helfrich, Ning Li, Maxim V Fedorov, Vadim V Fedorov

Circ Arrhythm Electrophysiol· October 2020

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Multisolvent Models for Solvation Free Energy Predictions Using 3D-RISM Hydration Thermodynamic Descriptors.
Vigneshwari Subramanian, Ekaterina Ratkova, David Palmer, Ola Engkvist, Maxim Fedorov

J Chem Inf Model· June 2020

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

ACS Omega· June 2020

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Artificial intelligence models to predict acute phytotoxicity in petroleum contaminated soils.
Dmitrii Shadrin, Mariia Pukalchik, Ekaterina Kovaleva, Maxim Fedorov

Ecotoxicol Environ Saf· May 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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Combining HF rTMS over the Left DLPFC with Concurrent Cognitive Activity for the Offline Modulation of Working Memory in Healthy Volunteers: A Proof-of-Concept Study.
Ilya Bakulin, Alfiia Zabirova, Dmitry Lagoda, Alexandra Poydasheva, Anastasiia Cherkasova, Maxim Fedorov

Brain Sci· February 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, Maxim Fedorov

Anal Chem· November 2019

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Computational characterization of the glutamate receptor antagonist perampanel and its close analogs: density functional exploration of conformational space and molecular docking study.
Abdul-Akim D Guseynov, Sergey A Pisarev, Dmitry A Shulga, Vladimir A Palyulin, Maxim V Fedorov

J Mol Model· September 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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