CGRtools: Python library for molecule, reaction, and condensed graph of reaction processing RI Nugmanov, RN Mukhametgaleev, T Akhmetshin, TR Gimadiev, ... Journal of chemical information and modeling 59 (6), 2516-2521, 2019 | 55 | 2019 |
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 | 21 | 2021 |
Cross-validation strategies in QSPR modelling of chemical reactions A Rakhimbekova, TN Akhmetshin, GI Minibaeva, RI Nugmanov, ... SAR and QSAR in Environmental Research 32 (3), 207-219, 2021 | 16 | 2021 |
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 | 1 | 2022 |
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 |
Construction of order-independent molecular fragments space with vector quantised graph autoencoder T Akhmetshin, A Lin, T Madzhidov, A Varnek | | 2023 |
Graph-based neural networks for generation of synthetically accessible molecular structures T Akhmetshin Université de Strasbourg; Kazanskij gosudarstvennyj universitet im. VI …, 2023 | | 2023 |