Highly selective binding of methyl orange dye by cationic water-soluble pillar [5] arenes LS Yakimova, DN Shurpik, LH Gilmanova, AR Makhmutova, ... Organic & Biomolecular Chemistry 14 (18), 4233-4238, 2016 | 57 | 2016 |
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 | 38 | 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 | 27 | 2022 |
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 |
Machine learning modelling of chemical reaction characteristics: Yesterday, today, tomorrow TI Madzhidov, A Rakhimbekova, VA Afonina, TR Gimadiev, ... Mendeleev Communications 31 (6), 769-780, 2021 | 12 | 2021 |
Conjugated quantitative structure–property relationship models: application to simultaneous prediction of tautomeric equilibrium constants and acidity of molecules DV Zankov, TI Madzhidov, A Rakhimbekova, TR Gimadiev, RI Nugmanov, ... Journal of Chemical Information and Modeling 59 (11), 4569-4576, 2019 | 8 | 2019 |
SERS investigation of neocuproine adsorption on silver: Influence of electrode potential on methyl groups EV Solovyeva, A Rakhimbekova, YV Lanchuk, LA Myund, AS Denisova Journal of Raman Spectroscopy 49 (2), 207-214, 2018 | 7 | 2018 |
Probabilistic approach for virtual screening based on multiple pharmacophores TI Madzhidov, A Rakhimbekova, A Kutlushuna, P Polishchuk Molecules 25 (2), 385, 2020 | 6 | 2020 |
Efficient design of peptide-binding polymers using active learning approaches A Rakhimbekova, A Lopukhov, N Klyachko, A Kabanov, TI Madzhidov, ... Journal of Controlled Release 353, 903-914, 2023 | 5 | 2023 |
Multi-instance learning for structure-activity modeling for molecular properties DV Zankov, MD Shevelev, AV Nikonenko, PG Polishchuk, ... Analysis of Images, Social Networks and Texts: 8th International Conference …, 2020 | 3 | 2020 |
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 |
2022-RA-1354-ESGO A new algorithm may highlight benefits from adding HE4 to CA125 in the preoperative assessment of premenopausal patients with pelvic mass M Katsyuba, R Khasanov, T Madzhidov, G Muratova, G Usmanova, ... International Journal of Gynecologic Cancer 32 (Suppl 2), 2022 | | 2022 |
CONDENSED GRAPH OF REACTION-SWISS-KNIFE TOOL FOR REACTION INFORMATICS T Madzhidov, A Rakhimbekova, V Afonina, A Fatykhova, D Zankov, ... XXXVIII Symposium of Bioinformatics and Computer-Aided Drug Discovery, 23-23, 2022 | | 2022 |
723 New algorithm to assess the risk of malignancy in premenopausal patients with pelvic mass M Katsyuba, R Khasanov, T Madzhidov, G Usmanova, G Muratova, ... International Journal of Gynecologic Cancer 31 (Suppl 3), 2021 | | 2021 |
ARTIFICIAL INTELLIGENCE IN SYNTHETIC CHEMISTRY: COMPUTER MEETS SYNTHESIS TI Madzhidov, RI Nugmanov, VA Afonina, AA Fatykhova, ... | | 2021 |
REACTIONS MODELING WORKFLOW USING CONDENSED GRAPH OF REACTION VA Gimadiev T.R., Akhmetshin T.N., Rahimbekova A., Nugmanov R.I., Polishchuk ... ХХI Mendeleev Congress on General and Applied Chemistry, 81, 2019 | | 2019 |
TOOLCHAIN FOR REACTIONS PROCESSING, MODELING AND STORAGE VA Nugmanov R.I., Fatykhova A.A., Mukhametgaleev R.N., Rakhimbekova A ... ХХI Mendeleev Congress on General and Applied Chemistry, 71, 2019 | | 2019 |
DATA MINING IN SYNTHETIC CHEMISTRY USING CONDENSED GRAPH OF REACTION VA Madzhidov T.I., Afonina V.A., Nugmanov R.I., Gimadiev T.I., Rahimbekova A ... ХХI Mendeleev Congress on General and Applied Chemistry, 63, 2019 | | 2019 |
REACTIONS MODELING WORKFLOW USING CONDENSED GRAPH OF REACTION AV T.R. Gimadiev, T.N. Akhmetshin, A. Rahimbekova, R.I. Nugmanov, P.G ... Mendeleev 2019, the XI International Conference on Chemistry for Young …, 2019 | | 2019 |
BENCHMARKING ANALYSIS OF APPLICABILITY DOMAIN DEFINITION: CHEMICAL REACTIONS CASE AV Rakhimbekova, R.I. Nugmanov, T.R. Gimadiev, T.I. Madzhidov Mendeleev 2019, the XI International Conference on Chemistry for Young …, 2019 | | 2019 |