| 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 | 62 | 2016 |
| 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 | 52 | 2014 |
| 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 | 45 | 2022 |
| 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 | 44 | 2018 |
| 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 | 25 | 2021 |
| 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 | 23 | 2020 |
| 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 | 23 | 2019 |
| 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 | 17 | 2022 |
| 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 | 12 | 2020 |
| 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 | 12 | 2015 |
| 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 | 11 | 2020 |
| 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 | 6 | 2022 |
| 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 | 5 | 2022 |
| 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 | 4 | 2015 |
| 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 | 3 | 2012 |
| 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 | 2 | 2022 |
| Cartographie topographique générative: un outil puissant pour la visualisation, l'analyse et la modélisation de données chimiques volumineuses A Lin Strasbourg, 2019 | 2 | 2019 |
| HyFactor: Hydrogen-count labelled graph-based defactorization Autoencoder T Akhmetshin, A Lin, D Mazitov, E Ziaikin, T Madzhidov, A Varnek | 1 | 2021 |
| Atom-to-Atom Mapping: A Benchmarking Study of Popular Mapping Algorithms and Consensus Strategies T Madzhidov, AI Lin, R Nugmanov, N Dyubankova, T Gimadiev, ... | 1 | 2020 |
| Generative topographic mapping: a powerful tool for big chemical data visualization, analysis and modeling A Lin Université de Strasbourg, 2019 | 1 | 2019 |
Alexandre VarnekProfessor of Chemistry, University of StrasbourgVerified email at unistra.fr
