| 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 | 57 | 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 | 55 | 2019 |
| 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 | 39 | 2020 |
| 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 |
| 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 | 34 | 2015 |
| 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 | 31 | 2022 |
| Nickel(II) complexes with N-(thio)phosphorylthioureas AdNHC(S)NHP(X)(OiPr)2: Versatile coordination of phosphoryl (X=O) and thiophosphoryl (X=S) derivatives DA Safin, FD Sokolov, Ł Szyrwiel, MG Babashkina, TR Gimadiev, ... Polyhedron 27 (11), 2271-2276, 2008 | 30 | 2008 |
| Complexes of N‐Thiophosphorylthiourea tBuNHC(S)NHP(S)(OiPr)2 with Zinc(II), Cadmium(II), Nickel(II), and Cobalt(II) Cations DA Safin, FD Sokolov, TR Gimadiev, VV Brusko, MG Babashkina, ... Zeitschrift für anorganische und allgemeine Chemie 634 (5), 967-971, 2008 | 28 | 2008 |
| Complexes of N‐Thiophosphorylthiourea tBuNHC(S)NHP(S)(OiPr)2 with Zinc(II), Cadmium(II), Nickel(II), and Cobalt(II) Cations DA Safin, FD Sokolov, TR Gimadiev, VV Brusko, MG Babashkina, ... Zeitschrift für anorganische und allgemeine Chemie 634 (5), 967-971, 2008 | 28 | 2008 |
| 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 |
| 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 | 24 | 2019 |
| Studies on zinc (II) complexes with N-thioacylamidophosphates: X-ray crystal structure of the [Zn (RC (S) NP (O)(OiPr) 2) 2](R= NH2, tBuNH, c-C6H11NH) DA Safin, FD Sokolov, H Nöth, MG Babashkina, TR Gimadiev, ... Polyhedron 27 (8), 2022-2028, 2008 | 24 | 2008 |
| 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 |
| 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 | 20 | 2017 |
| Complexes of podand-containing bis(dithiophosphonate) ligands with cobalt(II), nickel(II) and cadmium(II): recognition of CH2Cl2 AR Gataulina, DA Safin, TR Gimadiev, MV Pinus Transition Metal Chemistry 33, 921-924, 2008 | 19 | 2008 |
| Complexes of N-thiophosphorylthiourea (EtO) 2P (O) CH2C6H4-4-[NHC (S) NHP (S)(OiPr) 2] with Zn (II), Cd (II), Co (II) and Cu (PPh3)(I) DA Safin, MG Babashkina, TR Gimadiev, M Bolte, MV Pinus, ... Polyhedron 27 (13), 2978-2982, 2008 | 17 | 2008 |
| 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 |
| Generative topographic mapping approach to modeling and chemical space visualization of human intestinal transporters TR Gimadiev, TI Madzhidov, G Marcou, A Varnek BioNanoScience 6, 464-472, 2016 | 16 | 2016 |
| Predicting Highly Enantioselective Catalysts Using Tunable Fragment Descriptors N Tsuji, P Sidorov, C Zhu, Y Nagata, T Gimadiev, A Varnek, B List Angewandte Chemie International Edition 62 (11), e202218659, 2023 | 12 | 2023 |
