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Leszczynski, Jerzy

One or more keywords matched the following items that are connected to Leszczynski, Jerzy

Item Type	Name
Academic Article	Predicting water solubility of congeners: chloronaphthalenes--a case study.
Academic Article	CORAL: quantitative structure-activity relationship models for estimating toxicity of organic compounds in rats.
Academic Article	CORAL: QSPR models for solubility of [C60] and [C70] fullerene derivatives.
Academic Article	CORAL: QSPR modeling of rate constants of reactions between organic aromatic pollutants and hydroxyl radical.
Academic Article	Novel application of the CORAL software to model cytotoxicity of metal oxide nanoparticles to bacteria Escherichia coli.
Academic Article	CORAL: QSPR model of water solubility based on local and global SMILES attributes.
Academic Article	SMILES-based QSAR approaches for carcinogenicity and anticancer activity: comparison of correlation weights for identical SMILES attributes.
Academic Article	Calculation of molecular features with apparent impact on both activity of mutagens and activity of anticancer agents.
Academic Article	CORAL: binary classifications (active/inactive) for Liver-Related Adverse Effects of Drugs.
Academic Article	CORAL: classification model for predictions of anti-sarcoma activity.
Academic Article	QSAR models for inhibitors of physiological impact of Escherichia coli that leads to diarrhea.
Academic Article	QSAR as a random event: modeling of nanoparticles uptake in PaCa2 cancer cells.
Academic Article	Comprehension of drug toxicity: software and databases.
Academic Article	QSAR model as a random event: A case of rat toxicity.
Academic Article	In vivo toxicity of nitroaromatics: A comprehensive quantitative structure-activity relationship study.
Academic Article	Nano-QSAR: Model of mutagenicity of fullerene as a mathematical function of different conditions.
Academic Article	Monte Carlo-based quantitative structure-activity relationship models for toxicity of organic chemicals to Daphnia magna.
Academic Article	CORAL and Nano-QFAR: Quantitative feature - Activity relationships (QFAR) for bioavailability of nanoparticles (ZnO, CuO, Co3O4, and TiO2).
Academic Article	Prediction of antimicrobial activity of large pool of peptides using quasi-SMILES.
Academic Article	Semi-correlations combined with the index of ideality of correlation: a tool to build up model of mutagenic potential.
Academic Article	Applicability Domain: A Step Toward Confident Predictions and Decidability for QSAR Modeling.
Academic Article	Impact of Pharmaceuticals on the Environment: Risk Assessment Using QSAR Modeling Approach.
Academic Article	Hydrogen-bonded trimers of DNA bases and their interaction with metal cations: ab initio quantum-chemical and empirical potential study.
Academic Article	Mechanism of action of anticancer titanocene derivatives: an insight from quantum chemical calculations.
Academic Article	Non-empirical study of the phosphorylation reaction catalyzed by 4-methyl-5-beta-hydroxyethylthiazole kinase: relevance of the theory of intermolecular interactions.
Academic Article	Determination of redox potentials for the Watson-Crick base pairs, DNA nucleosides, and relevant nucleoside analogues.
Academic Article	Hydrogen-bonding interactions in the binding of loop 1 of fasciculin 2 to Torpedo californica acetylcholinesterase: a density functional theory study.
Academic Article	Thermodynamics and kinetics of intramolecular proton transfer in Guanine. Post Hartree-Fock study.
Concept	Software
Academic Article	Chemosphere
Academic Article	How the CORAL software can be used to select compounds for efficient treatment of neurodegenerative diseases?
Academic Article	Application of quasi-SMILES to the model of gold-nanoparticles uptake in A549?cells.
Academic Article	In Silico Tools and Software to Predict ADMET of New Drug Candidates.

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