| Estimation of the size of drug-like chemical space based on GDB-17 data PG Polishchuk, TI Madzhidov, A Varnek Journal of computer-aided molecular design 27, 675-679, 2013 | 655 | 2013 |
| Modern Trends of Organic Chemistry in Russian Universities AI Konovalov, IS Antipin, VA Burilov, TI Madzhidov, AR Kurbangalieva, ... Russian Journal of Organic Chemistry 54, 157-371, 2018 | 92* | 2018 |
| 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 | 73 | 2021 |
| Artificial intelligence in synthetic chemistry: achievements and prospects II Baskin, TI Madzhidov, IS Antipin, AA Varnek Russian Chemical Reviews 86 (11), 1127, 2017 | 68 | 2017 |
| 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 | 65 | 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 | 63 | 2016 |
| Ligand-based pharmacophore modeling using novel 3D pharmacophore signatures A Kutlushina, A Khakimova, T Madzhidov, P Polishchuk Molecules 23 (12), 3094, 2018 | 61 | 2018 |
| 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 | 52 | 2014 |
| 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 | 47 | 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 | 46 | 2022 |
| 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 | 37 | 2015 |
| 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 |
| 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 | 34 | 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 | 32 | 2017 |
| 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 | 30 | 2021 |
| Sovremennye tendentsii organicheskoi khimii v universitetakh Rossii [Modern Trends of Organic Chemistry in Russian Universities] AI Konovalov, IS Antipin, VA Burilov, TI Madzhidov, AR Kurbangalieva, ... Zhurnal organicheskoi khimii= Russian Journal of Organic Chemistry 54 (2 …, 2018 | 30 | 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 | 27 | 2021 |
| 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 | 27 | 2019 |
| The nature of hydrogen bonds with divalent selenium compounds TI Madzhidov, GA Chmutova Journal of Molecular Structure: THEOCHEM 959 (1-3), 1-7, 2010 | 27 | 2010 |
| 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 | 26 | 2019 |
Alexandre VarnekProfessor of Chemistry, University of StrasbourgVerified email at unistra.fr