Artur Kadurin

Kuban State University — Russia

Computer Science · Physical Sciences

10h-index1.6kcitations30works1.52yr avg
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Research Topics

Computational Drug Discovery Methods(13), Machine Learning in Materials Science(8), Topic Modeling(6), Biomedical Text Mining and Ontologies(6), Cell Image Analysis Techniques(4)

Publications30 total

A conformational benchmark for optical property prediction with solvent-aware graph neural networks
Communications Chemistry·2026Open Access
nablaColors: A 3D Benchmark for Optical Property Prediction with Solvent-aware Graph Neural Networks
2025· 2 citedOpen Access
Measuring Chemical LLM robustness to molecular representations: a SMILES variation-based framework
Journal of Cheminformatics·2025· 2 citedOpen Access
AFToolkit: a framework for molecular modeling of proteins with AlphaFold-derived representations
Briefings in Bioinformatics·2025Open Access
LAGNet: better electron density prediction for LCAO-based data and drug-like substances
Journal of Cheminformatics·2025· 1 citedOpen Access
Two Steps from Hell: Compositionality on Chemical LMs
2025Open Access
Doping position estimation for FeRh-based alloys
Scientific Reports·2024· 6 citedOpen Access
$\nabla^2$DFT: A Universal Quantum Chemistry Dataset of Drug-Like Molecules and a Benchmark for Neural Network Potentials
arXiv (Cornell University)·2024· 1 citedOpen Access
Doping Position Estimation for FeRh-based alloys
2024Open Access
FREED++: Improving RL Agents for Fragment-Based Molecule Generation by Thorough Reproduction
arXiv (Cornell University)·2024· 2 citedOpen Access
$\nabla^2$DFT: A Universal Quantum Chemistry Dataset of Drug-Like Molecules and a Benchmark for Neural Network Potentials
2024
Lost in Translation: Chemical Language Models and the Misunderstanding of Molecule Structures
2024· 3 citedOpen Access
Biomedical Entity Representation with Graph-Augmented Multi-Objective Transformer
2024· 3 citedOpen Access
MineralImage5k: A benchmark for zero-shot raw mineral visual recognition and description
Computers & Geosciences·2023· 17 cited
Graph-Enriched Biomedical Entity Representation Transformer
Lecture notes in computer science·2023· 5 cited
Automating Control of Overestimation Bias for Reinforcement Learning
Research Square (Research Square)·2022· 3 citedOpen Access
nablaDFT: Large-Scale Conformational Energy and Hamiltonian Prediction benchmark and dataset
Physical Chemistry Chemical Physics·2022· 20 cited
Automating Control of Overestimation Bias for Reinforcement Learning
arXiv (Cornell University)·2021Open Access
Medical concept normalization in clinical trials with drug and disease representation learning
Bioinformatics·2021· 28 citedOpen Access
Drug and Disease Interpretation Learning with Biomedical Entity\n Representation Transformer
arXiv (Cornell University)·2021Open Access
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Frequent Co-authors

Elena Tutubalina(11), Sergey Nikolenko(8), Kuzma Khrabrov(8), Artem Tsypin(8), Kuzma Khrabrov(7), Alex Zhavoronkov(6), Egor Rumiantsev(6), Alexander Aliper(5), Daniil Polykovskiy(5), Alexander Telepov(5), Konstantin Ushenin(5), Alexander Zhebrak(4), Zulfat Miftahutdinov(4), Anton Ber(4), Polina Mamoshina(3), Dmitry Vetrov(3), Rim Shayakhmetov(3), Roman Kudrin(3), Ilya Shenbin(3), Anton Alekseev(3)

Artur Kadurin | Only Research