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Arkadii Lin
Arkadii Lin
Insilico Medicine
Подтвержден адрес электронной почты в домене insilicomedicine.com
Название
Процитировано
Процитировано
Год
Automatized assessment of protective group reactivity: A step toward big reaction data analysis
A Lin, T Madzhidov, O Klimchuk, R Nugmanov, I Antipin, A Varnek
Journal of Chemical Information and Modeling 56 (11), 2140-2148, 2016
632016
Structure-reactivity relationships in terms of the condensed graphs of reactions
TI Madzhidov, PG Polishchuk, RI Nugmanov, AV Bodrov, A Lin, II Baskin, ...
Russian Journal of Organic Chemistry 50 (4), 459-463, 2014
522014
Atom‐to‐atom mapping: a benchmarking study of popular mapping algorithms and consensus strategies
A Lin, N Dyubankova, TI Madzhidov, RI Nugmanov, J Verhoeven, ...
Molecular Informatics 41 (4), 2100138, 2022
462022
Mapping of the Available Chemical Space versus the Chemical Universe of Lead‐Like Compounds
A Lin, D Horvath, V Afonina, G Marcou, JL Reymond, A Varnek
ChemMedChem 13 (6), 540-554, 2018
452018
Reaction data curation I: chemical structures and transformations standardization
TR Gimadiev, A Lin, VA Afonina, D Batyrshin, RI Nugmanov, ...
Molecular Informatics 40 (12), 2100119, 2021
272021
Chemography: searching for hidden treasures
Y Zabolotna, A Lin, D Horvath, G Marcou, DM Volochnyuk, A Varnek
Journal of Chemical Information and Modeling 61 (1), 179-188, 2020
262020
Multi-task generative topographic mapping in virtual screening
A Lin, D Horvath, G Marcou, B Beck, A Varnek
Journal of Computer-Aided Molecular Design 33, 331-343, 2019
242019
Chemspace atlas: multiscale chemography of ultralarge libraries for drug discovery
Y Zabolotna, F Bonachera, D Horvath, A Lin, G Marcou, O Klimchuk, ...
Journal of Chemical Information and Modeling 62 (18), 4537-4548, 2022
202022
Parallel generative topographic mapping: an efficient approach for big data handling
A Lin, II Baskin, G Marcou, D Horvath, B Beck, A Varnek
Molecular Informatics 39 (12), 2000009, 2020
122020
Diversifying chemical libraries with generative topographic mapping
A Lin, B Beck, D Horvath, G Marcou, A Varnek
Journal of Computer-Aided Molecular Design 34, 805-815, 2020
122020
Consensus approach to atom-to-atom mapping in chemical reactions
TI Madzhidov, RI Nugmanov, TR Gimadiev, A Lin, IS Antipin, A Varnek
Butlerov Commun 44, 170-176, 2015
122015
Inverse qsar: reversing descriptor-driven prediction pipeline using attention-based conditional variational autoencoder
W Bort, D Mazitov, D Horvath, F Bonachera, A Lin, G Marcou, I Baskin, ...
Journal of Chemical Information and Modeling 62 (22), 5471-5484, 2022
82022
HyFactor: A Novel Open-Source, Graph-Based Architecture for Chemical Structure Generation
T Akhmetshin, A Lin, D Mazitov, Y Zabolotna, E Ziaikin, T Madzhidov, ...
Journal of Chemical Information and Modeling 62 (15), 3524-3534, 2022
62022
HIV-1 drug resistance profiling using amino acid sequence space cartography
K Pikalyova, A Orlov, A Lin, O Tarasova, MG Marcou, D Horvath, ...
Bioinformatics 38 (8), 2307-2314, 2022
62022
Консенсусный подход к созданию атом-атомного отображения в химических реакциях
ТИ Маджидов, РИ Нугманов, АИ Лин, ИС Антипин, ТР Гимадиев, ...
Бутлеровские сообщения 44 (12), 170-176, 2015
42015
Исследование взаимодействия в системе сера–диоксид кремния в присутствии активатора хлорида цинка
ГИ Туктарова, АА Юсупова, РТ Ахметова, ТГ Ахметов, НИ Наумкина, ...
Вестник Казанского технологического университета 15 (20), 2012
32012
Cartographie topographique générative: un outil puissant pour la visualisation, l'analyse et la modélisation de données chimiques volumineuses
A Lin
Strasbourg, 2019
22019
HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder
T Akhmetshin, A Lin, D Mazitov, E Ziaikin, T Madzhidov, A Varnek
12021
Atom-to-Atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus Strategies
T Madzhidov, AI Lin, R Nugmanov, N Dyubankova, T Gimadiev, ...
12020
Generative topographic mapping: a powerful tool for big chemical data visualization, analysis and modeling
A Lin
Université de Strasbourg, 2019
12019
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Статьи 1–20