| Functional supramolecular systems: Design and applications IS Antipin, MV Alfimov, VV Arslanov, VA Burilov, SZ Vatsadze, ... Russian Chemical Reviews 90 (8), 895, 2021 | 138 | 2021 |
| Discovery of novel chemical reactions by deep generative recurrent neural network W Bort, II Baskin, T Gimadiev, A Mukanov, R Nugmanov, P Sidorov, ... Scientific reports 11 (1), 3178, 2021 | 63 | 2021 |
| 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 | 60 | 2019 |
| Automatized assessment of protective group reactivity: a step toward big reaction data analysis AI Lin, TI Madzhidov, O Klimchuk, RI Nugmanov, IS Antipin, A Varnek Journal of Chemical Information and Modeling 56 (11), 2140-2148, 2016 | 60 | 2016 |
| Structure-reactivity relationships in terms of the condensed graphs of reactions TI Madzhidov, PG Polishchuk, RI Nugmanov, AV Bodrov, AI Lin, II Baskin, ... Russian Journal of Organic Chemistry 50, 459-463, 2014 | 50 | 2014 |
| ‘Click chemistry’in the synthesis of new amphiphilic 1, 3-alternate thiacalixarenes VA Burilov, RI Nugmanov, RR Ibragimova, SE Solovieva, IS Antipin Mendeleev Communications 25 (3), 177-179, 2015 | 48 | 2015 |
| Comprehensive analysis of applicability domains of QSPR models for chemical reactions A Rakhimbekova, TI Madzhidov, RI Nugmanov, TR Gimadiev, II Baskin, ... International Journal of Molecular Sciences 21 (15), 5542, 2020 | 43 | 2020 |
| 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 | 42 | 2022 |
| Structure–reactivity modeling using mixture-based representation of chemical reactions P Polishchuk, T Madzhidov, T Gimadiev, A Bodrov, R Nugmanov, ... Journal of computer-aided molecular design 31, 829-839, 2017 | 36 | 2017 |
| Structure–reactivity relationship in bimolecular elimination reactions based on the condensed graph of a reaction TI Madzhidov, AV Bodrov, TR Gimadiev, RI Nugmanov, IS Antipin, ... Journal of Structural Chemistry 56, 1227-1234, 2015 | 36 | 2015 |
| Assessment of tautomer distribution using the condensed reaction graph approach TR Gimadiev, TI Madzhidov, RI Nugmanov, II Baskin, IS Antipin, A Varnek Journal of Computer-Aided Molecular Design 32, 401-414, 2018 | 33 | 2018 |
| Using semantic analysis of texts for the identification of drugs with similar therapeutic effects EV Tutubalina, ZS Miftahutdinov, RI Nugmanov, TI Madzhidov, ... Russian Chemical Bulletin 66, 2180-2189, 2017 | 29 | 2017 |
| Synthesis of new p-tert-butylcalix [4] arene-based polyammonium triazolyl amphiphiles and their binding with nucleoside phosphates VA Burilov, GA Fatikhova, MN Dokuchaeva, RI Nugmanov, DA Mironova, ... Beilstein journal of organic chemistry 14 (1), 1980-1993, 2018 | 28 | 2018 |
| QSAR modeling based on conformation ensembles using a multi-instance learning approach DV Zankov, M Matveieva, AV Nikonenko, RI Nugmanov, II Baskin, ... Journal of chemical information and modeling 61 (10), 4913-4923, 2021 | 27 | 2021 |
| Bimolecular nucleophilic substitution reactions: Predictive models for rate constants and molecular reaction pairs analysis T Gimadiev, T Madzhidov, I Tetko, R Nugmanov, I Casciuc, O Klimchuk, ... Molecular informatics 38 (4), 1800104, 2019 | 27 | 2019 |
| Detection of sulfate surface-active substances via fluorescent response using new amphiphilic thiacalix [4] arenes bearing cationic headgroups with Eosin Y dye VA Burilov, DA Mironova, RR Ibragimova, RI Nugmanov, SE Solovieva, ... Colloids and Surfaces A: Physicochemical and Engineering Aspects 515, 41-49, 2017 | 27 | 2017 |
| Predictive models for kinetic parameters of cycloaddition reactions M Glavatskikh, T Madzhidov, D Horvath, R Nugmanov, T Gimadiev, ... Molecular Informatics 38 (1-2), 1800077, 2019 | 25 | 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 | 24 | 2021 |
| Development of “structure-property” models in nucleophilic substitution reactions involving azides RI Nugmanov, TI Madzhidov, GR Khaliullina, II Baskin, IS Antipin, ... Journal of Structural Chemistry 55, 1026-1032, 2014 | 23 | 2014 |
| Structure–reactivity relationship in Diels–Alder reactions obtained using the condensed reaction graph approach TI Madzhidov, TR Gimadiev, DA Malakhova, RI Nugmanov, II Baskin, ... Journal of Structural Chemistry 58, 650-656, 2017 | 21 | 2017 |
Madzhidov, Timur I.ElsevierVerified email at elsevier.com