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Global variation in copy number in the human genome.
Framing Commercial Determinants of Health: An Assessment of Potential for Guiding More Effective Responses to the Public Health Crises of the 21st Century.
Assessing the health impact of transnational corporations: its importance and a framework.
Thyroid hormones regulate the frequency of miniature end-plate currents in pre- and prometamorphic stages of the tadpole tail.
In Reply to von Eyben et al.
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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
SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations.
Academic Article
Predicting water solubility of congeners: chloronaphthalenes--a case study.
Academic Article
InChI-based optimal descriptors: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibitors by correlation balance.
Academic Article
CORAL: quantitative structure-activity relationship models for estimating toxicity of organic compounds in rats.
Academic Article
Toward the development of "nano-QSARs": advances and challenges.
Academic Article
Choosing safe dispersing media for C60 fullerenes by using cytotoxicity tests on the bacterium Escherichia coli.
Academic Article
New QSPR equations for prediction of aqueous solubility for military compounds.
Academic Article
CORAL: QSPR models for solubility of [C60] and [C70] fullerene derivatives.
Academic Article
Aconitum and Delphinium alkaloids of curare-like activity. QSAR analysis and molecular docking of alkaloids into AChBP.
Academic Article
Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles.
Academic Article
QSAR modeling of acute toxicity on mammals caused by aromatic compounds: the case study using oral LD50 for rats.
Academic Article
QSAR analysis of the toxicity of nitroaromatics in Tetrahymena pyriformis: structural factors and possible modes of action.
Academic Article
Use of quantitative structure-enantioselective retention relationship for the liquid chromatography chiral separation prediction of the series of pyrrolidin-2-one compounds.
Academic Article
CORAL: QSPR modeling of rate constants of reactions between organic aromatic pollutants and hydroxyl radical.
Academic Article
Advancing risk assessment of engineered nanomaterials: application of computational approaches.
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
In silico structure-function analysis of E. cloacae nitroreductase.
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
Receptor- and ligand-based study of fullerene analogues: comprehensive computational approach including quantum-chemical, QSAR and molecular docking simulations.
Academic Article
Evaluation criteria for the quality of published experimental data on nanomaterials and their usefulness for QSAR modelling.
Academic Article
Comprehension of drug toxicity: software and databases.
Academic Article
Optimal descriptor as a translator of eclectic information into the prediction of membrane damage: the case of a group of ZnO and TiO2 nanoparticles.
Academic Article
From basic physics to mechanisms of toxicity: the "liquid drop" approach applied to develop predictive classification models for toxicity of metal oxide nanoparticles.
Academic Article
Periodic table-based descriptors to encode cytotoxicity profile of metal oxide nanoparticles: a mechanistic QSTR approach.
Academic Article
Towards understanding mechanisms governing cytotoxicity of metal oxides nanoparticles: hints from nano-QSAR studies.
Academic Article
Optimal nano-descriptors as translators of eclectic data into prediction of the cell membrane damage by means of nano metal-oxides.
Academic Article
Aconitum and delphinium diterpenoid alkaloids of local anesthetic activity: comparative QSAR analysis based on GA-MLRA/PLS and optimal descriptors approach.
Academic Article
Optimal descriptor as a translator of eclectic data into prediction of cytotoxicity for metal oxide nanoparticles under different conditions.
Academic Article
Novel approach for efficient predictions properties of large pool of nanomaterials based on limited set of species: nano-read-across.
Academic Article
QSAR model as a random event: A case of rat toxicity.
Academic Article
The Monte Carlo method based on eclectic data as an efficient tool for predictions of endpoints for nanomaterials - two examples of application.
Academic Article
Estimation of melting points of large set of persistent organic pollutants utilizing QSPR approach.
Academic Article
Causation or only correlation? Application of causal inference graphs for evaluating causality in nano-QSAR models.
Academic Article
In vivo toxicity of nitroaromatics: A comprehensive quantitative structure-activity relationship study.
Academic Article
Modeling the Dispersibility of Single Walled Carbon Nanotubes in Organic Solvents by Quantitative Structure-Activity Relationship Approach.
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
A DFT-based QSAR study on inhibition of human dihydrofolate reductase.
Academic Article
CORAL and Nano-QFAR: Quantitative feature - Activity relationships (QFAR) for bioavailability of nanoparticles (ZnO, CuO, Co3O4, and TiO2).
Academic Article
A quantum chemical based toxicity study of estimated reduction potential and hydrophobicity in series of nitroaromatic compounds.
Academic Article
Endocrine-disrupting activity of per- and polyfluoroalkyl substances: Exploring combined approaches of ligand and structure based modeling.
Academic Article
Remarkable hexafunctional anion receptor with operational urea-based inner cleft and thiourea-based outer cleft: Novel design with high-efficiency for sulfate binding.
Academic Article
Amino substituted nitrogen heterocycle ureas as kinase insert domain containing receptor (KDR) inhibitors: Performance of structure-activity relationship approaches.
Academic Article
QSPR modeling of optical rotation of amino acids using specific quantum chemical descriptors.
Academic Article
Genotoxicity induced by metal oxide nanoparticles: a weight of evidence study and effect of particle surface and electronic properties.
Academic Article
Toward comprehension of multiple human cells uptake of engineered nano metal oxides: quantitative inter cell line uptake specificity (QICLUS) modeling.
Academic Article
Virtual Screening of Anti-Cancer Compounds: Application of Monte Carlo Technique.
Academic Article
QSAR modeling of adipose/blood partition coefficients of Alcohols, PCBs, PBDEs, PCDDs and PAHs: A data gap filling approach.
Academic Article
Ecotoxicological Modeling, Ranking and Prioritization of Pharmaceuticals Using QSTR and i-QSTTR Approaches: Application of 2D and Fragment Based Descriptors.
Academic Article
Diffusion of energetic compounds through biological membrane: Application of classical MD and COSMOmic approximations.
Academic Article
Multiple e-Pharmacophore modeling to identify a single molecule that could target both streptomycin and paromomycin binding sites for 30S ribosomal subunit inhibition.
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
Single or mixture halogenated chemicals? Risk assessment and developmental toxicity prediction on zebrafish embryos based on weighted descriptors approach.
Academic Article
Recent Advances of In-Silico Modeling of Potent Antagonists for the Adenosine Receptors.
Academic Article
Modeling of Glass Transition Temperatures for Polymeric Coating Materials: Application of QSPR Mixture-based Approach.
Academic Article
"Ideal correlations" for biological activity of peptides.
Academic Article
Evaluating genotoxicity of metal oxide nanoparticles: Application of advanced supervised and unsupervised machine learning techniques.
Academic Article
Structure-toxicity relationships of nitroaromatic compounds.
Academic Article
Molecular modelling and QSAR analysis of the estrogenic activity of terpenoids isolated from Ferula plants.
Academic Article
The effect of nitroaromatics' composition on their toxicity in vivo: novel, efficient non-additive 1D QSAR analysis.
Academic Article
Prediction of rate constants for radical degradation of aromatic pollutants in water matrix: a QSAR study.
Academic Article
Aconitum and Delphinium sp. alkaloids as antagonist modulators of voltage-gated Na+ channels. AM1/DFT electronic structure investigations and QSAR studies.
Academic Article
The effects of characteristics of substituents on toxicity of the nitroaromatics: HiT QSAR study.
Academic Article
QSAR modeling of acute toxicity by balance of correlations.
Concept
Structure-Activity Relationship
Concept
Quantitative Structure-Activity Relationship
Academic Article
SARS-CoV Mpro inhibitory activity of aromatic disulfide compounds: QSAR model.
Academic Article
How the CORAL software can be used to select compounds for efficient treatment of neurodegenerative diseases?
Academic Article
Using quasi-SMILES for the predictive modeling of the safety of 574 metal oxide nanoparticles measured in different experimental conditions.
Academic Article
Application of quasi-SMILES to the model of gold-nanoparticles uptake in A549?cells.
Academic Article
Identification of potential antivirals against 3CLpro enzyme for the treatment of SARS-CoV-2: A multi-step virtual screening study.
Academic Article
In vitro and in silico study of mixtures cytotoxicity of metal oxide nanoparticles to Escherichia coli: a mechanistic approach.
Search Criteria
Structure Activity Relationship