A review of recent advances towards the development of QSAR models for toxicity assessment of ionic liquids N Abramenko, L Kustov, L Metelytsia, V Kovalishyn, I Tetko, ... Journal of hazardous materials 384, 121429, 2020 | 73 | 2020 |
Design, synthesis and evaluation of novel sulfonamides as potential anticancer agents MV Kachaeva, DM Hodyna, IV Semenyuta, SG Pilyo, VM Prokopenko, ... Computational Biology and Chemistry 74, 294-303, 2018 | 59 | 2018 |
Antibacterial activity of imidazolium‐based ionic liquids investigated by QSAR modeling and experimental studies D Hodyna, V Kovalishyn, S Rogalsky, V Blagodatnyi, K Petko, ... Chemical Biology & Drug Design 88 (3), 422-433, 2016 | 51 | 2016 |
Modelling the toxicity of a large set of metal and metal oxide nanoparticles using the OCHEM platform V Kovalishyn, N Abramenko, I Kopernyk, L Charochkina, L Metelytsia, ... Food and Chemical Toxicology 112, 507-517, 2018 | 50 | 2018 |
1, 3-Oxazole derivatives as potential anticancer agents: Computer modeling and experimental study I Semenyuta, V Kovalishyn, V Tanchuk, S Pilyo, V Zyabrev, V Blagodatnyy, ... Computational biology and chemistry 65, 8-15, 2016 | 50 | 2016 |
Efficient antimicrobial activity and reduced toxicity of 1-dodecyl-3-methylimidazolium tetrafluoroborate ionic liquid/β-cyclodextrin complex D Hodyna, JF Bardeau, L Metelytsia, S Riabov, L Kobrina, S Laptiy, ... Chemical Engineering Journal 284, 1136-1145, 2016 | 41 | 2016 |
Synthesis, spectroscopic and molecular docking studies of imidazolium and pyridinium based ionic liquids with HSA as potential antimicrobial agents MM Trush, IV Semenyuta, SI Vdovenko, SP Rogalsky, EO Lobko, ... Journal of Molecular Structure 1137, 692-699, 2017 | 27 | 2017 |
Design of (quinolin-4-ylthio) carboxylic acids as new Escherichia coli DNA gyrase B inhibitors: machine learning studies, molecular docking, synthesis and biological testing L Metelytsia, D Hodyna, I Dobrodub, I Semenyuta, M Zavhorodnii, ... Computational Biology and Chemistry 85, 107224, 2020 | 26 | 2020 |
Reduced ecotoxicity and improved biodegradability of cationic biocides based on ester-functionalized pyridinium ionic liquids M Trush, L Metelytsia, I Semenyuta, L Kalashnikova, O Papeykin, I Venger, ... Environmental Science and Pollution Research 26, 4878-4889, 2019 | 25 | 2019 |
Imidazolium ionic liquids as effective antiseptics and disinfectants against drug resistant S. aureus: In silico and in vitro studies D Hodyna, V Kovalishyn, I Semenyuta, V Blagodatnyi, S Rogalsky, ... Computational Biology and Chemistry 73, 127-138, 2018 | 24 | 2018 |
New promising antifouling agent based on polymeric biocide polyhexamethylene guanidine molybdate A Protasov, JF Bardeau, I Morozovskaya, M Boretska, T Cherniavska, ... Environmental toxicology and chemistry 36 (9), 2543-2551, 2017 | 20 | 2017 |
eDNA inactivation and biofilm inhibition by the PolymericBiocide polyhexamethylene guanidine hydrochloride (PHMG-Cl) OV Moshynets, TP Baranovskyi, OS Iungin, NP Kysil, LO Metelytsia, ... International journal of molecular sciences 23 (2), 731, 2022 | 16 | 2022 |
Rational design of isonicotinic acid hydrazide derivatives with antitubercular activity: Machine learning, molecular docking, synthesis and biological testing V Kovalishyn, J Grouleff, I Semenyuta, VO Sinenko, SR Slivchuk, ... Chemical biology & drug design 92 (1), 1272-1278, 2018 | 16 | 2018 |
Использование искусственных нейронных сетей для прогнозирования американского фондового рынка в период кризиса СС Головачев Управление экономическими системами: электроннный научный журнал, 15, 2012 | 13 | 2012 |
Design and synthesis of new potent inhibitors of farnesyl pyrophosphate synthase V Prokopenko, V Kovalishyn, M Shevchuk, I Kopernyk, L Metelytsia, ... Current Drug Discovery Technologies 11 (2), 133-144, 2014 | 12 | 2014 |
Design and Synthesis of Potent Inhibitors of Farnesyl Pyrophosphate Synthase V Рrокореnко, V Коvalishin, M Shevchuk, I Kopernyk, L Metelytsia, ... Curren Drug Discovery 11 (2), 133-144, 2014 | 12* | 2014 |
Structure-Activity Relationship Modeling and Experimental Validation of the Imidazolium and Pyridinium Based Ionic Liquids as Potential Antibacterials of MDR Acinetobacter … IV Semenyuta, MM Trush, VV Kovalishyn, SP Rogalsky, DM Hodyna, ... International Journal of Molecular Sciences 22 (2), 563, 2021 | 11 | 2021 |
Imidazolium ionic liquids as potential anti-candida inhibitors: QSAR modeling and experimental studies D Hodyna, V Kovalishyn, S Rogalsky, V Blagodatnyi, L Metelytsia Current Drug Discovery Technologies 13 (2), 109-119, 2016 | 11 | 2016 |
New 1, 3-oxazolylphosphonium salts as potential biocides: QSAR study, synthesis, antibacterial activity and toxicity evaluation MM Trush, V Kovalishyn, AD Ocheretniuk, LE Kalashnikova, ... Letters in Drug Design & Discovery 15 (12), 1259-1267, 2018 | 10 | 2018 |
Functionalized imidazolium-based ionic liquids: biological activity evaluation, toxicity screening, spectroscopic, and molecular docking studies MM Trush, IV Semenyuta, D Hodyna, AD Ocheretniuk, SI Vdovenko, ... Medicinal Chemistry Research 29, 2181-2191, 2020 | 9 | 2020 |