Jerzy Leszczynski to Software
This is a "connection" page, showing publications Jerzy Leszczynski has written about Software.
Connection Strength
5.915
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Toropova AP, Toropov AA, Leszczynska D, Leszczynski J. How the CORAL software can be used to select compounds for efficient treatment of neurodegenerative diseases? Toxicol Appl Pharmacol. 2020 12 01; 408:115276.
Score: 0.689
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Toropova AP, Toropov AA, Veselinovic AM, Veselinovic JB, Leszczynska D, Leszczynski J. Semi-correlations combined with the index of ideality of correlation: a tool to build up model of mutagenic potential. Mol Cell Biochem. 2019 Feb; 452(1-2):133-140.
Score: 0.592
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Toropov AA, Toropova AP, Benfenati E, Gini G, Leszczynska D, Leszczynski J. CORAL: QSPR model of water solubility based on local and global SMILES attributes. Chemosphere. 2013 Jan; 90(2):877-80.
Score: 0.392
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Toropov AA, Toropova AP, Benfenati E, Gini G, Puzyn T, Leszczynska D, Leszczynski J. Novel application of the CORAL software to model cytotoxicity of metal oxide nanoparticles to bacteria Escherichia coli. Chemosphere. 2012 Nov; 89(9):1098-102.
Score: 0.387
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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. J Comput Chem. 2012 Sep 05; 33(23):1902-6.
Score: 0.386
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Toropov AA, Toropova AP, Benfenati E, Gini G, Leszczynska D, Leszczynski J. CORAL: classification model for predictions of anti-sarcoma activity. Curr Top Med Chem. 2012; 12(24):2741-4.
Score: 0.375
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Toropov AA, Toropova AP, Benfenati E, Gini G, Leszczynska D, Leszczynski J. SMILES-based QSAR approaches for carcinogenicity and anticancer activity: comparison of correlation weights for identical SMILES attributes. Anticancer Agents Med Chem. 2011 Dec; 11(10):974-82.
Score: 0.373
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Toropova AP, Toropov AA, Benfenati E, Gini G, Leszczynska D, Leszczynski J. CORAL: QSPR models for solubility of [C60] and [C70] fullerene derivatives. Mol Divers. 2011 Feb; 15(1):249-56.
Score: 0.332
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Kar S, Roy K, Leszczynski J. In Silico Tools and Software to Predict ADMET of New Drug Candidates. Methods Mol Biol. 2022; 2425:85-115.
Score: 0.188
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Toropova AP, Toropov AA, Leszczynska D, Leszczynski J. Application of quasi-SMILES to the model of gold-nanoparticles uptake in A549?cells. Comput Biol Med. 2021 09; 136:104720.
Score: 0.182
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Toropova AP, Toropov AA, Benfenati E, Leszczynska D, Leszczynski J. Prediction of antimicrobial activity of large pool of peptides using quasi-SMILES. Biosystems. 2018 Jul; 169-170:5-12.
Score: 0.146
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Kar S, Roy K, Leszczynski J. Applicability Domain: A Step Toward Confident Predictions and Decidability for QSAR Modeling. Methods Mol Biol. 2018; 1800:141-169.
Score: 0.142
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Kar S, Roy K, Leszczynski J. Impact of Pharmaceuticals on the Environment: Risk Assessment Using QSAR Modeling Approach. Methods Mol Biol. 2018; 1800:395-443.
Score: 0.142
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Gooch A, Sizochenko N, Rasulev B, Gorb L, Leszczynski J. In vivo toxicity of nitroaromatics: A comprehensive quantitative structure-activity relationship study. Environ Toxicol Chem. 2017 08; 36(8):2227-2233.
Score: 0.135
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Toropova AP, Toropov AA, Leszczynska D, Leszczynski J. CORAL and Nano-QFAR: Quantitative feature - Activity relationships (QFAR) for bioavailability of nanoparticles (ZnO, CuO, Co3O4, and TiO2). Ecotoxicol Environ Saf. 2017 May; 139:404-407.
Score: 0.134
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Toropova AP, Toropov AA, Veselinovic AM, Veselinovic JB, Leszczynska D, Leszczynski J. Monte Carlo-based quantitative structure-activity relationship models for toxicity of organic chemicals to Daphnia magna. Environ Toxicol Chem. 2016 11; 35(11):2691-2697.
Score: 0.128
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Toropova AP, Toropov AA, Veselinovic AM, Veselinovic JB, Benfenati E, Leszczynska D, Leszczynski J. Nano-QSAR: Model of mutagenicity of fullerene as a mathematical function of different conditions. Ecotoxicol Environ Saf. 2016 Feb; 124:32-36.
Score: 0.122
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Toropova AP, Toropov AA, Benfenati E, Leszczynska D, Leszczynski J. QSAR model as a random event: A case of rat toxicity. Bioorg Med Chem. 2015 Mar 15; 23(6):1223-30.
Score: 0.116
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Toropov AA, Toropova AP, Raska I, Leszczynska D, Leszczynski J. Comprehension of drug toxicity: software and databases. Comput Biol Med. 2014 Feb; 45:20-5.
Score: 0.107
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Toropov AA, Toropova AP, Puzyn T, Benfenati E, Gini G, Leszczynska D, Leszczynski J. QSAR as a random event: modeling of nanoparticles uptake in PaCa2 cancer cells. Chemosphere. 2013 Jun; 92(1):31-7.
Score: 0.102
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Toropov AA, Toropova AP, Benfenati E, Gini G, Leszczynska D, Leszczynski J, De Nucci G. QSAR models for inhibitors of physiological impact of Escherichia coli that leads to diarrhea. Biochem Biophys Res Commun. 2013 Mar 08; 432(2):214-25.
Score: 0.101
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Toropov AA, Toropova AP, Benfenati E, Gini G, Leszczynska D, Leszczynski J. Calculation of molecular features with apparent impact on both activity of mutagens and activity of anticancer agents. Anticancer Agents Med Chem. 2012 Sep; 12(7):807-17.
Score: 0.098
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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. Curr Drug Saf. 2012 Sep; 7(4):257-61.
Score: 0.098
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Toropova AP, Toropov AA, Benfenati E, Gini G, Leszczynska D, Leszczynski J. CORAL: quantitative structure-activity relationship models for estimating toxicity of organic compounds in rats. J Comput Chem. 2011 Sep; 32(12):2727-33.
Score: 0.090
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Puzyn T, Mostrag A, Falandysz J, Kholod Y, Leszczynski J. Predicting water solubility of congeners: chloronaphthalenes--a case study. J Hazard Mater. 2009 Oct 30; 170(2-3):1014-22.
Score: 0.078
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Crespo-Hernandez CE, Close DM, Gorb L, Leszczynski J. Determination of redox potentials for the Watson-Crick base pairs, DNA nucleosides, and relevant nucleoside analogues. J Phys Chem B. 2007 May 17; 111(19):5386-95.
Score: 0.068
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Dyguda-Kazimierowicz E, Sokalski WA, Leszczynski J. Non-empirical study of the phosphorylation reaction catalyzed by 4-methyl-5-beta-hydroxyethylthiazole kinase: relevance of the theory of intermolecular interactions. J Mol Model. 2007 Jul; 13(6-7):839-49.
Score: 0.067
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Wang J, Gu J, Leszczynski J. Hydrogen-bonding interactions in the binding of loop 1 of fasciculin 2 to Torpedo californica acetylcholinesterase: a density functional theory study. J Phys Chem B. 2005 Jul 21; 109(28):13761-9.
Score: 0.060
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Gorb L, Kaczmarek A, Gorb A, Sadlej AJ, Leszczynski J. Thermodynamics and kinetics of intramolecular proton transfer in Guanine. Post Hartree-Fock study. J Phys Chem B. 2005 Jul 21; 109(28):13770-6.
Score: 0.060
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Sponer JE, Leszczynski J, Sponer J. Mechanism of action of anticancer titanocene derivatives: an insight from quantum chemical calculations. J Phys Chem B. 2006 Oct 05; 110(39):19632-6.
Score: 0.016
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Sponer J, Burda JV, Mejzl?k P, Leszczynski J, Hobza P. Hydrogen-bonded trimers of DNA bases and their interaction with metal cations: ab initio quantum-chemical and empirical potential study. J Biomol Struct Dyn. 1997 Apr; 14(5):613-28.
Score: 0.008