Cargando…

The System of Self-Consistent Models: The Case of Henry’s Law Constants

Data on Henry’s law constants make it possible to systematize geochemical conditions affecting atmosphere status and consequently triggering climate changes. The constants of Henry’s law are desired for assessing the processes related to atmospheric contaminations caused by pollutants. The most impo...

Descripción completa

Detalles Bibliográficos
Autores principales:	Toropov, Andrey A., Toropova, Alla P., Roncaglioni, Alessandra, Benfenati, Emilio, Leszczynska, Danuta, Leszczynski, Jerzy
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10609047/ https://www.ncbi.nlm.nih.gov/pubmed/37894710 http://dx.doi.org/10.3390/molecules28207231

Ejemplares similares

The System of Self-Consistent Models: QSAR Analysis of Drug-Induced Liver Toxicity
por: Toropova, Alla P., et al.
Publicado: (2023)

Development of Self-Consistency Models of Anticancer Activity of Nanoparticles under Different Experimental Conditions Using Quasi-SMILES Approach
por: Toropov, Andrey A., et al.
Publicado: (2023)

Using the Correlation Intensity Index to Build a Model of Cardiotoxicity of Piperidine Derivatives
por: Toropova, Alla P., et al.
Publicado: (2023)

QSAR Development for Plasma Protein Binding: Influence of the Ionization State
por: Toma, Cosimo, et al.
Publicado: (2018)

CORAL Models for Drug-Induced Nephrotoxicity
por: Toropov, Andrey A., et al.
Publicado: (2023)

Additive SMILES-Based Carcinogenicity Models: Probabilistic Principles in the Search for Robust Predictions
por: Toropov, Andrey A., et al.
Publicado: (2009)

Towards the Development of Global Nano-Quantitative Structure–Property Relationship Models: Zeta Potentials of Metal Oxide Nanoparticles
por: Toropov, Andrey A., et al.
Publicado: (2018)

CORAL: Building up QSAR models for the chromosome aberration test
por: Toropov, Andrey A., et al.
Publicado: (2019)

CORAL: model for no observed adverse effect level (NOAEL)
por: Toropov, Andrey A., et al.
Publicado: (2015)

Interactions of Substituted Nitroaromatics with Model Graphene Systems: Applicability of Hammett Substituent Constants To Predict Binding Energies
por: Khan, Mehedi H., et al.
Publicado: (2018)

Monte Carlo Models for Sub-Chronic Repeated-Dose Toxicity: Systemic and Organ-Specific Toxicity
por: Selvestrel, Gianluca, et al.
Publicado: (2022)

Amino substituted nitrogen heterocycle ureas as kinase insert domain containing receptor (KDR) inhibitors: Performance of structure–activity relationship approaches
por: Yilmaz, Hayriye, et al.
Publicado: (2015)

QSPR/QSAR: State-of-Art, Weirdness, the Future
por: Toropov, Andrey A., et al.
Publicado: (2020)

In Silico Simulation of Impacts of Metal Nano-Oxides on Cell Viability in THP-1 Cells Based on the Correlation Weights of the Fragments of Molecular Structures and Codes of Experimental Conditions Represented by Means of Quasi-SMILES
por: Toropova, Alla P., et al.
Publicado: (2023)

Henry’s Law Constants and Vapor–Liquid Distribution Coefficients of Noncondensable Gases Dissolved in Carbon Dioxide
por: Martynov, Sergey B., et al.
Publicado: (2022)

The sequence of amino acids as the basis for the model of biological activity of peptides
por: Toropova, Alla P., et al.
Publicado: (2021)

Modeling of Interactions between the Zebrafish Hatching Enzyme ZHE1 and A Series of Metal Oxide Nanoparticles: Nano-QSAR and Causal Analysis of Inactivation Mechanisms
por: Sizochenko, Natalia, et al.
Publicado: (2017)

Nanomaterials – the Next Great Challenge for Qsar Modelers
por: Puzyn, Tomasz, et al.
Publicado: (2009)

Blood Brain Barrier and Alzheimer’s Disease: Similarity and Dissimilarity of Molecular Alerts
por: Toropova, Alla P., et al.
Publicado: (2018)

New public QSAR model for carcinogenicity
por: Fjodorova, Natalja, et al.
Publicado: (2010)

Assessment and validation of the CAESAR predictive model for bioconcentration factor (BCF) in fish
por: Lombardo, Anna, et al.
Publicado: (2010)

Quantitative Structure-Activity Relationship Modeling of the Amplex Ultrared Assay to Predict Thyroperoxidase Inhibitory Activity
por: Gadaleta, Domenico, et al.
Publicado: (2021)

Exploring the role of octanol-water partition coefficient and Henry’s law constant in predicting the lipid-water partition coefficients of organic chemicals
por: Khawar, Muhammad Irfan, et al.
Publicado: (2022)

Prediction of the Neurotoxic Potential of Chemicals Based on Modelling of Molecular Initiating Events Upstream of the Adverse Outcome Pathways of (Developmental) Neurotoxicity
por: Gadaleta, Domenico, et al.
Publicado: (2022)

A Nano-QSTR model to predict nano-cytotoxicity: an approach using human lung cells data
por: Meneses, João, et al.
Publicado: (2023)

Henri-Michaelis-Menten kinetics of reversible enzymic reactions, and the determination of rate constants from kinetic constants
por: Barnsley, Eric A.
Publicado: (2022)

A KNIME Workflow to Assist the Analogue Identification for Read-Across, Applied to Aromatase Activity
por: Caballero Alfonso, Ana Yisel, et al.
Publicado: (2023)

Self-Consistent Examination of Donachie's Constant Initiation Size at the Single-Cell Level
por: Taheri-Araghi, Sattar
Publicado: (2015)

QSAR Models for Human Carcinogenicity: An Assessment Based on Oral and Inhalation Slope Factors
por: Toma, Cosimo, et al.
Publicado: (2020)

Breaking of Henry’s law for sulfide liquid–basaltic melt partitioning of Pt and Pd
por: Zhang, Mingdong, et al.
Publicado: (2021)

The Natural Laws of the Universe: Understanding Fundamental Constants
por: Uzan, Jean-Philippe, et al.
Publicado: (2008)

Cheminformatics and Machine Learning Approaches to Assess Aquatic Toxicity Profiles of Fullerene Derivatives
por: Fjodorova, Natalja, et al.
Publicado: (2023)

Parametric study of lotus-type pore shape in solid subject to Henry's laws at interfaces
por: Lee, B.Y., et al.
Publicado: (2023)

Ligand-based prediction of hERG-mediated cardiotoxicity based on the integration of different machine learning techniques
por: Delre, Pietro, et al.
Publicado: (2022)

How fullerene derivatives (FDs) act on therapeutically important targets associated with diabetic diseases
por: Fjodorova, Natalja, et al.
Publicado: (2022)

Dynamical law of the phase interface motion in the presence of crystals nucleation
por: Toropova, Liubov V., et al.
Publicado: (2022)

SAR and QSAR modeling of a large collection of LD(50) rat acute oral toxicity data
por: Gadaleta, Domenico, et al.
Publicado: (2019)

The VEGA Tool to Check the Applicability Domain Gives Greater Confidence in the Prediction of In Silico Models
por: Danieli, Alberto, et al.
Publicado: (2023)

Model Balancing: A Search for In-Vivo Kinetic Constants and Consistent Metabolic States
por: Liebermeister, Wolfram, et al.
Publicado: (2021)

Henry Miller
por: Widmer, Kingsley, 1925-
Publicado: (1975)

Cannot write session to /tmp/vufind_sessions/sess_ooqacbl1eo39cv78t63fqp5r0b