Publications by authors named "Igor Baskin"

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Artificial Solid Electrolyte Interphase Developed In Vitro by Tailoring Molecular Layer Deposition of a Li-Ion-Containing Electrolyte on Carbonaceous Anode Materials.
Roman G Fedorov, Jonas Schlaier, Nickolay Solomatin, Mahmud Auinat, Igor Baskin

ACS Appl Mater Interfaces· October 2025

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Talc Nanosheet Ionogel Electrolytes with High Lithium-Ion Conductivity for Solid-State Lithium Metal Batteries.
Xinjie Luo, Jiaming Li, Yuxing Gu, Jian Du, Yijia Huang, Igor Baskin

Nano Lett· March 2025

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Chemoinformatics for corrosion science: Data-driven modeling of corrosion inhibition by organic molecules.
Igor Baskin, Yair Ein-Eli

Mol Inform· November 2024

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Conjugated quantitative structure-property relationship models: Prediction of kinetic characteristics linked by the Arrhenius equation.
Dmitry Zankov, Timur Madzhidov, Igor Baskin, Alexandre Varnek

Mol Inform· October 2023

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Inverse QSAR: Reversing Descriptor-Driven Prediction Pipeline Using Attention-Based Conditional Variational Autoencoder.
William Bort, Daniyar Mazitov, Dragos Horvath, Fanny Bonachera, Arkadii Lin, Igor Baskin

J Chem Inf Model· November 2022

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Multiple Conformer Descriptors for QSAR Modeling.
Aleksandra Nikonenko, Dmitry Zankov, Igor Baskin, Timur Madzhidov, Pavel Polishchuk

Mol Inform· November 2021

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QSAR Modeling Based on Conformation Ensembles Using a Multi-Instance Learning Approach.
Dmitry V Zankov, Mariia Matveieva, Aleksandra V Nikonenko, Ramil I Nugmanov, Igor I Baskin

J Chem Inf Model· October 2021

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Practical constraints with machine learning in drug discovery.
Igor I Baskin

Expert Opin Drug Discov· September 2021

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Discovery of novel chemical reactions by deep generative recurrent neural network.
William Bort, Igor I Baskin, Timur Gimadiev, Artem Mukanov, Ramil Nugmanov

Sci Rep· February 2021

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Parallel Generative Topographic Mapping: An Efficient Approach for Big Data Handling.
Arkadii Lin, Igor I Baskin, Gilles Marcou, Dragos Horvath, Bernd Beck

Mol Inform· December 2020

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Comprehensive Analysis of Applicability Domains of QSPR Models for Chemical Reactions.
Assima Rakhimbekova, Timur I Madzhidov, Ramil I Nugmanov, Timur R Gimadiev, Igor I Baskin

Int J Mol Sci· August 2020

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The power of deep learning to ligand-based novel drug discovery.
Igor I Baskin

Expert Opin Drug Discov· July 2020

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Application of the mol2vec Technology to Large-size Data Visualization and Analysis.
Shojiro Shibayama, Gilles Marcou, Dragos Horvath, Igor I Baskin, Kimito Funatsu

Mol Inform· June 2020

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QSAR without borders.
Eugene N Muratov, Jürgen Bajorath, Robert P Sheridan, Igor V Tetko, Dmitry Filimonov, Igor I Baskin

Chem Soc Rev· June 2020

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Correction: QSAR without borders.
Eugene N Muratov, Jürgen Bajorath, Robert P Sheridan, Igor V Tetko, Dmitry Filimonov, Igor I Baskin

Chem Soc Rev· June 2020

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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, Timur R Gimadiev, Ramil I Nugmanov, Igor I Baskin

J Chem Inf Model· November 2019

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Continuous molecular fields and the concept of molecular co-fields in structure-activity studies.
Igor I Baskin, Nelly I Zhokhova

Future Med Chem· October 2019

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Is one-shot learning a viable option in drug discovery?
Igor I Baskin

Expert Opin Drug Discov· July 2019

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De Novo Molecular Design by Combining Deep Autoencoder Recurrent Neural Networks with Generative Topographic Mapping.
Boris Sattarov, Igor I Baskin, Dragos Horvath, Gilles Marcou, Esben Jannik Bjerrum

J Chem Inf Model· March 2019

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Machine Learning Methods in Computational Toxicology.
Igor I Baskin

Methods Mol Biol· February 2019

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Visualization and Analysis of Complex Reaction Data: The Case of Tautomeric Equilibria.
Marta Glavatskikh, Timur Madzhidov, Igor I Baskin, Dragos Horvath, Ramil Nugmanov

Mol Inform· September 2018

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Energy-based Neural Networks as a Tool for Harmony-based Virtual Screening.
Nelly I Zhokhova, Igor I Baskin

Mol Inform· November 2017

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Generative Topographic Mapping of Conformational Space.
Dragos Horvath, Igor Baskin, Gilles Marcou, Alexandre Varnek

Mol Inform· October 2017

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Predictive cartography of metal binders using generative topographic mapping.
Igor I Baskin, Vitaly P Solov'ev, Alexander A Bagatur'yants, Alexandre Varnek

J Comput Aided Mol Des· August 2017

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A renaissance of neural networks in drug discovery.
Igor I Baskin, David Winkler, Igor V Tetko

Expert Opin Drug Discov· August 2016

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