Jerzy Leszczynski to Reproducibility of Results
This is a "connection" page, showing publications Jerzy Leszczynski has written about Reproducibility of Results.
Connection Strength
0.852
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Toropova AP, Toropov AA, Roncaglioni A, Benfenati E, Leszczynska D, Leszczynski J. The validation of predictive potential via the system of self-consistent models: the simulation of blood-brain barrier permeation of organic compounds. J Mol Model. 2023 Jun 29; 29(7):218.
Score: 0.185
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Kar S, Leszczynski J. Open access in silico tools to predict the ADMET profiling of drug candidates. Expert Opin Drug Discov. 2020 12; 15(12):1473-1487.
Score: 0.151
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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: 0.103
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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: 0.087
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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: 0.087
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Close DM, Crespo-Hern?ndez CE, Gorb L, Leszczynski J. Theoretical elucidation of conflicting experimental data on vertical ionization potentials of microhydrated thymine. J Phys Chem A. 2008 May 15; 112(19):4405-9.
Score: 0.064
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Kholod Y, Kosenkov D, Okovytyy S, Gorb L, Qasim M, Leszczynski J. CL-20 photodecomposition: ab initio foundations for identification of products. Spectrochim Acta A Mol Biomol Spectrosc. 2008 Nov 01; 71(1):230-7.
Score: 0.063
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Kapusta K, Kar S, Collins JT, Franklin LM, Kolodziejczyk W, Leszczynski J, Hill GA. Protein reliability analysis and virtual screening of natural inhibitors for SARS-CoV-2 main protease (Mpro) through docking, molecular mechanic & dynamic, and ADMET profiling. J Biomol Struct Dyn. 2021 10; 39(17):6810-6827.
Score: 0.038
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C P A, Subhramanian S, Sizochenko N, Melge AR, Leszczynski J, Mohan CG. Multiple e-Pharmacophore modeling to identify a single molecule that could target both streptomycin and paromomycin binding sites for 30S ribosomal subunit inhibition. J Biomol Struct Dyn. 2019 Apr; 37(6):1582-1596.
Score: 0.032
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Campbell PE, Isayev O, Ali SA, Roth WW, Huang MB, Powell MD, Leszczynski J, Bond VC. Validation of a novel secretion modification region (SMR) of HIV-1 Nef using cohort sequence analysis and molecular modeling. J Mol Model. 2012 Oct; 18(10):4603-13.
Score: 0.021
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Nguyen VS, Swinnen S, Leszczynski J, Nguyen MT. Formation and hydrogen release of hydrazine bisborane: transfer vs. attachment of a borane. Phys Chem Chem Phys. 2011 Apr 14; 13(14):6649-56.
Score: 0.020