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Bakhtiyor Rasulev, Ph.D. - Publications

Affiliations: 
2014-2016 Center for Computationally Assisted Science and Technology North Dakota State University, Fargo, ND, United States 
 2017- Coatings and Polymeric Materials North Dakota State University, Fargo, ND, United States 
Area:
computational chemistry, QSAR, machine learning, nanotoxicology, cheminformatics
Website:
http://www.rasulev.org
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Year Citation  Score
2024 Casanola-Martin GM, Wang J, Zhou JG, Rasulev B, Leszczynski J. Chemical feature-based machine learning model for predicting photophysical properties of BODIPY compounds: density functional theory and quantitative structure-property relationship modeling. Journal of Molecular Modeling. 31: 18. PMID 39666215 DOI: 10.1007/s00894-024-06240-4  0.658
2024 Ascencio-Medina E, He S, Daghighi A, Iduoku K, Casanola-Martin GM, Arrasate S, González-Díaz H, Rasulev B. Prediction of Dielectric Constant in Series of Polymers by Quantitative Structure-Property Relationship (QSPR). Polymers. 16. PMID 39408442 DOI: 10.3390/polym16192731  0.802
2024 Casanola-Martin GM, Karuth A, Pham-The H, González-Díaz H, Webster DC, Rasulev B. Machine learning analysis of a large set of homopolymers to predict glass transition temperatures. Communications Chemistry. 7: 226. PMID 39358434 DOI: 10.1038/s42004-024-01305-0  0.804
2024 Ray P, Sedigh A, Confeld M, Alhalhooly L, Iduoku K, Casanola-Martin GM, Pham-The H, Rasulev B, Choi Y, Yang Z, Mallik S, Quadir M. Design and evaluation of nanoscale materials with programmed responsivity towards epigenetic enzymes. Journal of Materials Chemistry. B. PMID 39021201 DOI: 10.1039/d4tb00514g  0.773
2024 Iduoku K, Ngongang M, Kulathunga J, Daghighi A, Casanola-Martin G, Simsek S, Rasulev B. Phenolic Acid-β-Cyclodextrin Complexation Study to Mask Bitterness in Wheat Bran: A Machine Learning-Based QSAR Study. Foods (Basel, Switzerland). 13. PMID 38998653 DOI: 10.3390/foods13132147  0.79
2024 Daghighi A, Casanola-Martin GM, Iduoku K, Kusic H, González-Díaz H, Rasulev B. Multi-Endpoint Acute Toxicity Assessment of Organic Compounds Using Large-Scale Machine Learning Modeling. Environmental Science & Technology. PMID 38797941 DOI: 10.1021/acs.est.4c01017  0.798
2024 Ray P, Sedigh A, Confeld M, Alhalhooly L, Iduoku K, Casanola-Martin GM, Pham-The H, Rasulev B, Choi Y, Yang Z, Mallik S, Quadir M. Design and Evaluation of Nanoscale Materials with Programmed Responsivity towards Epigenetic Enzymes. Biorxiv : the Preprint Server For Biology. PMID 38586020 DOI: 10.1101/2024.03.26.585429  0.771
2024 Zhuravskyi Y, Iduoku K, Erickson ME, Karuth A, Usmanov D, Casanola-Martin G, Sayfiyev MN, Ziyaev DA, Smanova Z, Mikolajczyk A, Rasulev B. Quantitative Structure-Permittivity Relationship Study of a Series of Polymers. Acs Materials Au. 4: 195-203. PMID 38496050 DOI: 10.1021/acsmaterialsau.3c00079  0.789
2024 Erickson M, Casañola-Martin G, Han Y, Rasulev B, Kilin D. Relationships between the Photodegradation Reaction Rate and Structural Properties of Polymer Systems. The Journal of Physical Chemistry. B. 128: 2190-2200. PMID 38386478 DOI: 10.1021/acs.jpcb.3c06854  0.723
2024 Karuth A, Casanola-Martin GM, Lystrom L, Sun W, Kilin D, Kilina S, Rasulev B. Combined Machine Learning, Computational, and Experimental Analysis of the Iridium(III) Complexes with Red to Near-Infrared Emission. The Journal of Physical Chemistry Letters. 471-480. PMID 38190332 DOI: 10.1021/acs.jpclett.3c02533  0.769
2022 Daghighi A, Casanola-Martin GM, Timmerman T, Milenković D, Lučić B, Rasulev B. In Silico Prediction of the Toxicity of Nitroaromatic Compounds: Application of Ensemble Learning QSAR Approach. Toxics. 10. PMID 36548579 DOI: 10.3390/toxics10120746  0.826
2022 Erickson M, Han Y, Rasulev B, Kilin D. Molecular Dynamics Study of the Photodegradation of Polymeric Chains. The Journal of Physical Chemistry Letters. 4374-4380. PMID 35544382 DOI: 10.1021/acs.jpclett.2c00802  0.692
2022 Varghese P J G, David DA, Karuth A, Manamkeri Jafferali JF, P M SB, George JJ, Rasulev B, Raghavan P. Experimental and Simulation Studies on Nonwoven Polypropylene-Nitrile Rubber Blend: Recycling of Medical Face Masks to an Engineering Product. Acs Omega. 7: 4791-4803. PMID 35187299 DOI: 10.1021/acsomega.1c04913  0.761
2022 Patnode K, Rasulev B, Voronov A. Synergistic Behavior of Plant Proteins and Biobased Latexes in Bioplastic Food Packaging Materials: Experimental and Machine Learning Study. Acs Applied Materials & Interfaces. 14: 8384-8393. PMID 35119263 DOI: 10.1021/acsami.1c21650  0.613
2021 Han Y, Iduoku K, Grant G, Rasulev B, Leontyev A, Hobbie EK, Tretiak S, Kilina SV, Kilin DS. Hot Carrier Dynamics at Ligated Silicon(111) Surfaces: A Computational Study. The Journal of Physical Chemistry Letters. 7504-7511. PMID 34342460 DOI: 10.1021/acs.jpclett.1c02084  0.75
2020 Serdiuk V, Shogren KL, Kovalenko T, Rasulev B, Yaszemski M, Maran A, Voronov A. Detection of macromolecular inversion-induced structural changes in osteosarcoma cells by FTIR microspectroscopy. Analytical and Bioanalytical Chemistry. PMID 32879994 DOI: 10.1007/S00216-020-02858-4  0.62
2020 Erickson ME, Ngongang M, Rasulev B. A Refractive Index Study of a Diverse Set of Polymeric Materials by QSPR with Quantum-Chemical and Additive Descriptors. Molecules (Basel, Switzerland). 25. PMID 32825028 DOI: 10.3390/Molecules25173772  0.687
2020 Fjodorova N, Novič M, Venko K, Rasulev B. A Comprehensive Cheminformatics Analysis of Structural Features Affecting the Binding Activity of Fullerene Derivatives. Nanomaterials (Basel, Switzerland). 10. PMID 31906497 DOI: 10.3390/Nano10010090  0.358
2020 Sigurnjak M, Ukić Š, Cvetnić M, Markić M, Stankov MN, Rasulev B, Kušić H, Božić AL, Rogošić M, Bolanča T. Combined toxicities of binary mixtures of alachlor, chlorfenvinphos, diuron and isoproturon. Chemosphere. 240: 124973. PMID 31726602 DOI: 10.1016/J.Chemosphere.2019.124973  0.347
2020 Usmanov D, Rasulev B, Syrov V, Yusupova U, Ramazonov N. Structure-Hepatoprotective Activity Relationship Study of Iridoids International Journal of Quantitative Structure-Property Relationships. 5: 108-118. DOI: 10.4018/ijqspr.20200701.oa3  0.347
2019 Ukić Š, Sigurnjak M, Cvetnić M, Markić M, Stankov MN, Rogošić M, Rasulev B, Božić AL, Kušić H, Bolanča T. Toxicity of pharmaceuticals in binary mixtures: Assessment by additive and non-additive toxicity models. Ecotoxicology and Environmental Safety. 185: 109696. PMID 31585393 DOI: 10.1016/J.Ecoenv.2019.109696  0.357
2019 Sizochenko N, Syzochenko M, Fjodorova N, Rasulev B, Leszczynski J. Evaluating genotoxicity of metal oxide nanoparticles: Application of advanced supervised and unsupervised machine learning techniques. Ecotoxicology and Environmental Safety. 185: 109733. PMID 31580980 DOI: 10.1016/J.Ecoenv.2019.109733  0.792
2019 Mikolajczyk A, Sizochenko N, Mulkiewicz E, Malankowska A, Rasulev B, Puzyn T. A chemoinformatics approach for the characterization of hybrid nanomaterials: safer and efficient design perspective. Nanoscale. 11: 11808-11818. PMID 31184677 DOI: 10.1039/C9Nr01162E  0.795
2019 Petrosyan LS, Sizochenko N, Leszczynski J, Rasulev B. Modeling of Glass Transition Temperatures for Polymeric Coating Materials: Application of QSPR Mixture-based Approach. Molecular Informatics. PMID 30945811 DOI: 10.1002/Minf.201800150  0.797
2019 Diéguez-Santana K, Rivera-Borroto OM, Puris A, Pham-The H, Le-Thi-Thu H, Rasulev B, Casañola-Martin GM. Beyond model interpretability using LDA and decision trees for α-amylase and α-glucosidase inhibitor classification studies. Chemical Biology & Drug Design. 94: 1414-1421. PMID 30908888 DOI: 10.1111/Cbdd.13518  0.343
2019 Cvetnić M, Novak Stankov M, Kovačić M, Ukić Š, Bolanča T, Kušić H, Rasulev B, Dionysiou DD, Lončarić Božić A. Key structural features promoting radical driven degradation of emerging contaminants in water. Environment International. 124: 38-48. PMID 30639906 DOI: 10.1016/J.Envint.2018.12.043  0.392
2019 Cvetnic M, Juretic Perisic D, Kovacic M, Ukic S, Bolanca T, Rasulev B, Kusic H, Loncaric Bozic A. Toxicity of aromatic pollutants and photooxidative intermediates in water: A QSAR study. Ecotoxicology and Environmental Safety. 169: 918-927. PMID 30597792 DOI: 10.1016/J.Ecoenv.2018.10.100  0.443
2019 Simsek T, Simsek S, Mayer C, Rasulev B. Combined computational and experimental study on the inclusion complexes of β-cyclodextrin with selected food phenolic compounds Structural Chemistry. 30: 1395-1406. DOI: 10.1007/S11224-019-01347-4  0.306
2018 Pham-The H, Cabrera-Pérez MÁ, Nam NH, Garit JAC, Rasulev B, Le-Thi-Thu H, Casañola-Martin GM. In silico assessment of ADME properties: Advances in Caco-2 Cell Monolayer Permeability Modeling. Current Topics in Medicinal Chemistry. PMID 30499410 DOI: 10.2174/1568026619666181130140350  0.374
2018 Golbamaki A, Golbamaki N, Sizochenko N, Rasulev B, Leszczynski J, Benfenati E. Genotoxicity induced by metal oxide nanoparticles: a weight of evidence study and effect of particle surface and electronic properties. Nanotoxicology. 1-17. PMID 29888633 DOI: 10.1080/17435390.2018.1478999  0.781
2018 Sizochenko N, Mikolajczyk A, Jagiello K, Puzyn T, Leszczynski J, Rasulev B. How the toxicity of nanomaterials towards different species could be simultaneously evaluated: a novel multi-nano-read-across approach. Nanoscale. 10: 582-591. PMID 29168526 DOI: 10.1039/C7Nr05618D  0.817
2018 Mikolajczyk A, Gajewicz A, Mulkiewicz E, Rasulev B, Marchelek M, Diak M, Hirano S, Zaleska-Medynska A, Puzyn T. Nano-QSAR modeling for ecosafe design of heterogeneous TiO2-based nano-photocatalysts Environmental Science. Nano. 5: 1150-1160. DOI: 10.1039/C8En00085A  0.616
2018 Chen M, Jabeen F, Rasulev B, Ossowski M, Boudjouk P. A computational structure-property relationship study of glass transition temperatures for a diverse set of polymers Journal of Polymer Science Part B: Polymer Physics. 56: 877-885. DOI: 10.1002/Polb.24602  0.57
2017 Ahmed L, Rasulev B, Kar S, Krupa P, Mozolewska MA, Leszczynski J. Inhibitors or toxins? Large library target-specific screening of fullerene-based nanoparticles for drug design purpose. Nanoscale. PMID 28696446 DOI: 10.1039/C7Nr00770A  0.789
2017 Han Y, Meng Q, Rasulev B, May PS, Berry MT, Kilin DS. Photoinduced Charge Transfer versus Fragmentation Pathways in Lanthanum Cyclopentadienyl Complexes. Journal of Chemical Theory and Computation. PMID 28651045 DOI: 10.1021/Acs.Jctc.7B00050  0.571
2017 Han Y, Rasulev B, Kilin DS. Photofragmentation of Tetranitromethane: Spin-Unrestricted Time-Dependent Excited-State Molecular Dynamics. The Journal of Physical Chemistry Letters. PMID 28618779 DOI: 10.1021/Acs.Jpclett.7B01330  0.564
2017 Fjodorova N, Novic M, Gajewicz A, Rasulev B. The way to cover prediction for cytotoxicity for all existing nano-sized metal oxides by using neural network method. Nanotoxicology. 11: 475-483. PMID 28330416 DOI: 10.1080/17435390.2017.1310949  0.347
2017 Gooch A, Sizochenko N, Rasulev B, Gorb L, Leszczynski J. In vivo toxicity of nitroaromatics: A comprehensive quantitative structure-activity relationship study. Environmental Toxicology and Chemistry. 36: 2227-2233. PMID 28169452 DOI: 10.1002/Etc.3761  0.804
2017 Petrosyan LS, Kar S, Leszczynski J, Rasulev B. Exploring Simple, Interpretable, and Predictive QSPR Model of Fullerene C60 Solubility in Organic Solvents Journal of Nanotoxicology and Nanomedicine. 2: 28-43. DOI: 10.4018/JNN.2017010103  0.761
2017 Jabeen F, Chen M, Rasulev B, Ossowski M, Boudjouk P. Refractive indices of diverse data set of polymers: A computational QSPR based study Computational Materials Science. 137: 215-224. DOI: 10.1016/J.Commatsci.2017.05.022  0.641
2016 Rasulev B, Jabeen F, Stafslien SJ, Chisholm BJ, Bahr J, Ossowski M, Boudjouk P. Polymer coating materials and their fouling release activity: A cheminformatics approach to predict properties. Acs Applied Materials & Interfaces. PMID 27982587 DOI: 10.1021/Acsami.6B12766  0.625
2016 Jagiello K, Grzonkowska M, Swirog M, Ahmed L, Rasulev B, Avramopoulos A, Papadopoulos MG, Leszczynski J, Puzyn T. Advantages and limitations of classic and 3D QSAR approaches in nano-QSAR studies based on biological activity of fullerene derivatives. Journal of Nanoparticle Research : An Interdisciplinary Forum For Nanoscale Science and Technology. 18: 256. PMID 27642255 DOI: 10.1007/S11051-016-3564-1  0.809
2016 Antypenko O, Kovalenko S, Rasulev B, Leszczynski J. Synthesis of 6-N-R-Tetrazolo[1,5-c]quinazolin-5(6H)-ones and Their Anticancer Activity. Acta Chimica Slovenica. 63: 638-45. PMID 27640391 DOI: 10.17344/Acsi.2016.2464  0.601
2016 Watkins M, Sizochenko N, Rasulev B, Leszczynski J. Estimation of melting points of large set of persistent organic pollutants utilizing QSPR approach. Journal of Molecular Modeling. 22: 55. PMID 26874948 DOI: 10.1007/S00894-016-2917-0  0.781
2016 Golbamaki A, Golbamaki N, Sizochenko N, Rasulev B, Cassano A, Puzyn T, Leszczynski J, Benfenati E. P17-030Classification nano-SAR modeling of metal oxides nanoparticles genotoxicity based on comet assay data Toxicology Letters. 258. DOI: 10.1016/J.Toxlet.2016.06.1950  0.789
2016 Yilmaz H, Ahmed L, Rasulev B, Leszczynski J. Application of ligand- and receptor-based approaches for prediction of the HIV-RT inhibitory activity of fullerene derivatives Journal of Nanoparticle Research. 18. DOI: 10.1007/S11051-016-3429-7  0.756
2016 Watkins M, Sizochenko N, Rasulev B, Leszczynski J. Estimation of melting points of large set of persistent organic pollutants utilizing QSPR approach Journal of Molecular Modeling. 22: 1-14. DOI: 10.1007/s00894-016-2917-0  0.732
2015 Yilmaz H, Sizochenko N, Rasulev B, Toropov A, Guzel Y, Kuz'min V, Leszczynska D, Leszczynski J. Amino substituted nitrogen heterocycle ureas as kinase insert domain containing receptor (KDR) inhibitors: Performance of structure-activity relationship approaches. Journal of Food and Drug Analysis. 23: 168-175. PMID 28911371 DOI: 10.1016/J.Jfda.2015.03.001  0.781
2015 Yilmaz H, Rasulev B, Leszczynski J. Modeling the Dispersibility of Single Walled Carbon Nanotubes in Organic Solvents by Quantitative Structure-Activity Relationship Approach. Nanomaterials (Basel, Switzerland). 5: 778-791. PMID 28347035 DOI: 10.3390/Nano5020778  0.656
2015 Han Y, Meng Q, Rasulev B, May PS, Berry MT, Kilin DS. Photofragmentation of the Gas-Phase Lanthanum Isopropylcyclopentadienyl Complex: Computational Modeling vs Experiment. The Journal of Physical Chemistry. A. 119: 10838-48. PMID 26438124 DOI: 10.1021/Acs.Jpca.5B07209  0.565
2015 Reis H, Rasulev B, Papadopoulos MG, Leszczynski J. Reliable but Timesaving: In Search of an Efficient Quantum-chemical Method for the Description of Functional Fullerenes. Current Topics in Medicinal Chemistry. 15: 1845-58. PMID 25961522 DOI: 10.2174/1568026615666150506150601  0.629
2015 Golbamaki N, Rasulev B, Cassano A, Robinson RL, Benfenati E, Leszczynski J, Cronin MT. Correction: Genotoxicity of metal oxide nanomaterials: review of recent data and discussion of possible mechanisms. Nanoscale. 7: 6388. PMID 25776996 DOI: 10.1039/C5Nr90036K  0.579
2015 Golbamaki N, Rasulev B, Cassano A, Marchese Robinson RL, Benfenati E, Leszczynski J, Cronin MT. Genotoxicity of metal oxide nanomaterials: review of recent data and discussion of possible mechanisms. Nanoscale. 7: 2154-98. PMID 25580680 DOI: 10.1039/C4Nr06670G  0.63
2015 Gajewicz A, Cronin MT, Rasulev B, Leszczynski J, Puzyn T. Novel approach for efficient predictions properties of large pool of nanomaterials based on limited set of species: nano-read-across. Nanotechnology. 26: 015701. PMID 25473798 DOI: 10.1088/0957-4484/26/1/015701  0.766
2015 Gajewicz A, Schaeublin N, Rasulev B, Hussain S, Leszczynska D, Puzyn T, Leszczynski J. Towards understanding mechanisms governing cytotoxicity of metal oxides nanoparticles: hints from nano-QSAR studies. Nanotoxicology. 9: 313-25. PMID 24983896 DOI: 10.3109/17435390.2014.930195  0.728
2015 Toropov AA, Toropova AP, Benfenati E, Nicolotti O, Carotti A, Nesmerak K, Veselinovic AM, Veselinovic JB, Duchowicz PR, Bacelo DE, Castro EA, Rasulev BF, Leszczynska D, Leszczynski J. QSPR/QSAR analyses by means of the CORAL software: Results, challenges, perspectives Quantitative Structure-Activity Relationships in Drug Design, Predictive Toxicology, and Risk Assessment. 560-585. DOI: 10.4018/978-1-4666-8136-1.ch015  0.535
2015 Sizochenko N, Rasulev B, Gajewicz A, Mokshyna E, Kuz'min VE, Leszczynski J, Puzyn T. Causal inference methods to assist in mechanistic interpretation of classification nano-SAR models Rsc Advances. 5: 77739-77745. DOI: 10.1039/C5Ra11399G  0.813
2015 Mikolajczyk A, Gajewicz A, Rasulev B, Schaeublin N, Maurer-Gardner E, Hussain S, Leszczynski J, Puzyn T. Zeta potential for metal oxide nanoparticles: A predictive model developed by a nano-quantitative structure-property relationship approach Chemistry of Materials. 27: 2400-2407. DOI: 10.1021/Cm504406A  0.746
2015 Yilmaz H, Sizochenko N, Rasulev B, Toropov A, Guzel Y, Kuz'Min V, Leszczynska D, Leszczynski J. Amino substituted nitrogen heterocycle ureas as kinase insert domain containing receptor (KDR) inhibitors: Performance of structure-activity relationship approaches Journal of Food and Drug Analysis. 23: 168-175. DOI: 10.1016/j.jfda.2015.03.001  0.735
2015 Juretic D, Kusic H, Dionysiou DD, Rasulev B, Peternel I, Loncaric Bozic A. Prediction of key structural features responsible for aromaticity of single-benzene ring pollutants and their photooxidative intermediates Chemical Engineering Journal. 276: 261-273. DOI: 10.1016/J.Cej.2015.04.082  0.379
2014 Sizochenko N, Rasulev B, Gajewicz A, Kuz'min V, Puzyn T, Leszczynski J. From basic physics to mechanisms of toxicity: the "liquid drop" approach applied to develop predictive classification models for toxicity of metal oxide nanoparticles. Nanoscale. 6: 13986-93. PMID 25317542 DOI: 10.1039/C4Nr03487B  0.814
2014 Turabekova MA, Rasulev BF, Dzhakhangirov FN, Toropov AA, Leszczynska D, Leszczynski J. Aconitum and delphinium diterpenoid alkaloids of local anesthetic activity: comparative QSAR analysis based on GA-MLRA/PLS and optimal descriptors approach. Journal of Environmental Science and Health. Part C, Environmental Carcinogenesis & Ecotoxicology Reviews. 32: 213-38. PMID 25226219 DOI: 10.1080/10590501.2014.938886  0.633
2014 Turabekova M, Rasulev B, Theodore M, Jackman J, Leszczynska D, Leszczynski J. Immunotoxicity of nanoparticles: a computational study suggests that CNTs and C60 fullerenes might be recognized as pathogens by Toll-like receptors. Nanoscale. 6: 3488-95. PMID 24548972 DOI: 10.1039/C3Nr05772K  0.593
2014 Juretic D, Kusic H, Dionysiou DD, Rasulev B, Loncaric Bozic A. Modeling of photooxidative degradation of aromatics in water matrix; combination of mechanistic and structural-relationship approach Chemical Engineering Journal. 257: 229-241. DOI: 10.1016/J.Cej.2014.07.053  0.395
2013 Ahmed L, Rasulev B, Turabekova M, Leszczynska D, Leszczynski J. Receptor- and ligand-based study of fullerene analogues: comprehensive computational approach including quantum-chemical, QSAR and molecular docking simulations. Organic & Biomolecular Chemistry. 11: 5798-808. PMID 23900343 DOI: 10.1039/C3Ob40878G  0.76
2012 Toropov AA, Toropova AP, Rasulev BF, Benfenati E, Gini G, Leszczynska D, Leszczynski J. CORAL: binary classifications (active/inactive) for Liver-Related Adverse Effects of Drugs. Current Drug Safety. 7: 257-61. PMID 23062237 DOI: 10.2174/157488612804096542  0.589
2012 Gajewicz A, Rasulev B, Dinadayalane TC, Urbaszek P, Puzyn T, Leszczynska D, Leszczynski J. Advancing risk assessment of engineered nanomaterials: application of computational approaches. Advanced Drug Delivery Reviews. 64: 1663-93. PMID 22664229 DOI: 10.1016/J.Addr.2012.05.014  0.723
2012 Toropov AA, Toropova AP, Rasulev BF, Benfenati E, Gini G, Leszczynska D, Leszczynski J. CORAL: QSPR modeling of rate constants of reactions between organic aromatic pollutants and hydroxyl radical. Journal of Computational Chemistry. 33: 1902-6. PMID 22641453 DOI: 10.1002/Jcc.23022  0.622
2012 Primera-Pedrozo OM, Arslan Z, Rasulev B, Leszczynski J. Room temperature synthesis of PbSe quantum dots in aqueous solution: stabilization by interactions with ligands. Nanoscale. 4: 1312-20. PMID 22273747 DOI: 10.1039/C2Nr11439A  0.58
2012 Rasulev B, Turabekova M, Gorska M, Kulig K, Bielejewska A, Lipkowski J, Leszczynski J. Use of quantitative structure-enantioselective retention relationship for the liquid chromatography chiral separation prediction of the series of pyrrolidin-2-one compounds. Chirality. 24: 72-7. PMID 22121071 DOI: 10.1002/Chir.21028  0.662
2012 Rasulev B, Watkins M, Theodore M, Jackman J, Leszczynski J. Structures and stabilities: Quantum-chemical study of Aun (n = 2-2016) nanoclusters by extended Huckel and DFT approaches Nanoscience and Nanotechnology - Asia. 2: 2-10. DOI: 10.2174/2210681211202010002  0.559
2012 Toropova AP, Toropov AA, Rasulev BF, Benfenati E, Gini G, Leszczynska D, Leszczynski J. QSAR models for ACE-inhibitor activity of tri-peptides based on representation of the molecular structure by graph of atomic orbitals and SMILES Structural Chemistry. 23: 1873-1878. DOI: 10.1007/S11224-012-9996-Z  0.607
2011 Puzyn T, Rasulev B, Gajewicz A, Hu X, Dasari TP, Michalkova A, Hwang HM, Toropov A, Leszczynska D, Leszczynski J. Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles. Nature Nanotechnology. 6: 175-8. PMID 21317892 DOI: 10.1038/Nnano.2011.10  0.759
2011 Gajewicz A, Puzyn T, Rasulev B, Leszczynska D, Leszczynski J. Metal oxide nanoparticles: Size-dependence of quantum-mechanical properties Nanoscience and Nanotechnology - Asia. 1: 53-58. DOI: 10.2174/2210681211101010053  0.686
2011 Petrova T, Rasulev BF, Toropov AA, Leszczynska D, Leszczynski J. Improved model for fullerene C60 solubility in organic solvents based on quantum-chemical and topological descriptors Journal of Nanoparticle Research. 13: 3235-3247. DOI: 10.1007/S11051-011-0238-X  0.634
2010 Rasulev B, Kusić H, Leszczynska D, Leszczynski J, Koprivanac N. QSAR modeling of acute toxicity on mammals caused by aromatic compounds: the case study using oral LD50 for rats. Journal of Environmental Monitoring : Jem. 12: 1037-44. PMID 21491673 DOI: 10.1039/B919489D  0.676
2010 Turabekova MA, Rasulev BF, Dzhakhangirov FN, Leszczynska D, Leszczynski J. Aconitum and Delphinium alkaloids of curare-like activity. QSAR analysis and molecular docking of alkaloids into AChBP. European Journal of Medicinal Chemistry. 45: 3885-94. PMID 20594622 DOI: 10.1016/J.Ejmech.2010.05.042  0.594
2010 Cook SM, Aker WG, Rasulev BF, Hwang HM, Leszczynski J, Jenkins JJ, Shockley V. Choosing safe dispersing media for C60 fullerenes by using cytotoxicity tests on the bacterium Escherichia coli. Journal of Hazardous Materials. 176: 367-73. PMID 19962827 DOI: 10.1016/J.Jhazmat.2009.11.039  0.567
2009 Kusić H, Rasulev B, Leszczynska D, Leszczynski J, Koprivanac N. Prediction of rate constants for radical degradation of aromatic pollutants in water matrix: a QSAR study. Chemosphere. 75: 1128-34. PMID 19201442 DOI: 10.1016/J.Chemosphere.2009.01.019  0.657
2009 Paukku Y, Rasulev B, Syrov V, Khushbaktova Z, Leszczynski J. Structure-hepatoprotective activity relationship study of sesquiterpene lactones: A QSAR analysis International Journal of Quantum Chemistry. 109: 17-27. DOI: 10.1002/Qua.21647  0.68
2008 Toropov AA, Rasulev BF, Leszczynski J. QSAR modeling of acute toxicity by balance of correlations. Bioorganic & Medicinal Chemistry. 16: 5999-6008. PMID 18482841 DOI: 10.1016/J.Bmc.2008.04.055  0.629
2008 Turabekova MA, Rasulev BF, Levkovich MG, Abdullaev ND, Leszczynski J. Aconitum and Delphinium sp. alkaloids as antagonist modulators of voltage-gated Na+ channels. AM1/DFT electronic structure investigations and QSAR studies. Computational Biology and Chemistry. 32: 88-101. PMID 18201930 DOI: 10.1016/J.Compbiolchem.2007.10.003  0.587
2008 Rasulev BF, Toropov AA, Hamme AT, Leszczynski J. Multiple linear regression analysis and optimal descriptors: Predicting the cholesteryl ester transfer protein inhibition activity Qsar and Combinatorial Science. 27: 595-606. DOI: 10.1002/Qsar.200710006  0.623
2007 Rasulev BF, Saidkhodzhaev AI, Nazrullaev SS, Akhmedkhodzhaeva KS, Khushbaktova ZA, Leszczynski J. Molecular modelling and QSAR analysis of the estrogenic activity of terpenoids isolated from Ferula plants. Sar and Qsar in Environmental Research. 18: 663-73. PMID 18038366 DOI: 10.1080/10629360701428631  0.622
2007 Toropov AA, Rasulev BF, Leszczynska D, Leszczynski J. Additive SMILES based optimal descriptors: QSPR modeling of fullerene C60 solubility in organic solvents Chemical Physics Letters. 444: 209-214. DOI: 10.1016/J.Cplett.2007.07.024  0.584
2007 Toropov AA, Rasulev BF, Leszczynski J. QSAR modeling of acute toxicity for nitrobenzene derivatives towards rats: Comparative analysis by MLRA and optimal descriptors Qsar and Combinatorial Science. 26: 686-693. DOI: 10.1002/Qsar.200610135  0.634
2006 Isayev O, Rasulev B, Gorb L, Leszczynski J. Structure-toxicity relationships of nitroaromatic compounds. Molecular Diversity. 10: 233-45. PMID 16710810 DOI: 10.1007/S11030-005-9002-4  0.771
2005 Rasulev BF, Abdullaev ND, Syrov VN, Leszczynski J. A Quantitative Structure-Activity Relationship (QSAR) study of the antioxidant activity of flavonoids Qsar and Combinatorial Science. 24: 1056-1065. DOI: 10.1002/Qsar.200430013  0.632
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