Alla P Toropova (Alla Toropova, A P Toropova)

Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 57

Top Topics

Molecular Docking

Oxide Nanoparticles

Machine Learning

Top Venues

Toxicology mechanisms and methods

SAR and QSAR in environmental research

International journal of molecular sciences

This page only lists publications with an associated author ORCID identifier.

Publications

Nadia Iovine, Alla P Toropova, Andrey A Toropov, Alessandra Roncaglioni, Emilio Benfenati
Models for the No-Observed-Effect Concentration (NOEC) and Maximal Half-Effective Concentration (EC50). Toxics 12 (6) (2024)
Nadia Iovine, Alla P Toropova, Andrey A Toropov, Alessandra Roncaglioni, Emilio Benfenati
Models for the No-Observed-Effect Concentration (NOEC) and Maximal Half-Effective Concentration (EC50). Toxics 12 (6) (2024)
Nadia Iovine, Alla P Toropova, Andrey A Toropov, Alessandra Roncaglioni, Emilio Benfenati
Models for the No-Observed-Effect Concentration (NOEC) and Maximal Half-Effective Concentration (EC50). Toxics 12 (6) (2024)
Alla P Toropova, Andrey A Toropov, Alessandra Roncaglioni, Emilio Benfenati
Does the accounting of the local symmetry fragments in quasi-SMILES improve the predictive potential of the QSAR models of toxicity towards tadpoles? Toxicology mechanisms and methods (2024)
Alla P Toropova, Andrey A Toropov, Alessandra Roncaglioni, Emilio Benfenati
Does the accounting of the local symmetry fragments in quasi-SMILES improve the predictive potential of the QSAR models of toxicity toward tadpoles? Toxicology mechanisms and methods (2024)
Alla P Toropova, Andrey A Toropov, Alessandra Roncaglioni, Emilio Benfenati
Does the accounting of the local symmetry fragments in quasi-SMILES improve the predictive potential of the QSAR models of toxicity toward tadpoles? Toxicology mechanisms and methods 34 (7) (2024)
Alla P Toropova, Andrey A Toropov, Alessandra Roncaglioni, Emilio Benfenati
Does the accounting of the local symmetry fragments in quasi-SMILES improve the predictive potential of the QSAR models of toxicity toward tadpoles? Toxicology mechanisms and methods (2024)
Andrey A Toropov, Alla P Toropova, Danuta Leszczynska, Jerzy Leszczynski
Development of Self-Consistency Models of Anticancer Activity of Nanoparticles under Different Experimental Conditions Using Quasi-SMILES Approach. Nanomaterials (Basel, Switzerland) 13 (12) (2023)
Andrey A Toropov, Alla P Toropova, Alessandra Roncaglioni, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski
The System of Self-Consistent Models: The Case of Henry's Law Constants. Molecules (Basel, Switzerland) 28 (20) (2023)
Alla P Toropova, Andrey A Toropov, Natalja Fjodorova
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. International journal of molecular sciences 24 (3) (2023)
Andrey A Toropov, Devon A Barnes, Alla P Toropova, Alessandra Roncaglioni, Alasdair R Irvine, Rosalinde Masereeuw, Emilio Benfenati
CORAL Models for Drug-Induced Nephrotoxicity. Toxics 11 (4) (2023)
Andrey A Toropov, Alla P Toropova, Alessandra Roncaglioni, Emilio Benfenati
Semi-Correlations for Building Up a Simulation of Eye Irritation. Toxics 11 (12) (2023)
Alla P Toropova, Andrey A Toropov, Natalja Fjodorova
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. International journal of molecular sciences 24 (3) (2023)
Alla P Toropova, Andrey A Toropov, Natalja Fjodorova
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. International journal of molecular sciences 24 (3) (2023)
Andrey A Toropov, Devon A Barnes, Alla P Toropova, Alessandra Roncaglioni, Alasdair R Irvine, Rosalinde Masereeuw, Emilio Benfenati
CORAL Models for Drug-Induced Nephrotoxicity. Toxics 11 (4) (2023)
Alla P Toropova, Andrey A Toropov, Alessandra Roncaglioni, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski
The validation of predictive potential via the system of self-consistent models: the simulation of blood-brain barrier permeation of organic compounds. Journal of molecular modeling 29 (7) (2023)
Andrey A Toropov, Alla P Toropova, Danuta Leszczynska, Jerzy Leszczynski
Development of Self-Consistency Models of Anticancer Activity of Nanoparticles under Different Experimental Conditions Using Quasi-SMILES Approach. Nanomaterials (Basel, Switzerland) 13 (12) (2023)
Andrey A Toropov, Alla P Toropova, Alessandra Roncaglioni, Emilio Benfenati
The system of self-consistent models for pesticide toxicity to Daphnia magna . Toxicology mechanisms and methods (2023)
Alla P Toropova, João Meneses, Ernesto Alfaro-Moreno, Andrey A Toropov
The system of self-consistent models based on quasi-SMILES as a tool to predict the potential of nano-inhibitors of human lung carcinoma cell line A549 for different experimental conditions. Drug and chemical toxicology (2023)
Andrey A Toropov, Alla P Toropova, Alessandra Roncaglioni, Emilio Benfenati
Semi-Correlations for Building Up a Simulation of Eye Irritation. Toxics 11 (12) (2023)
Nilima Rani Das, Tripti Sharma, Andrey A Toropov, Alla P Toropova, Manish Kumar Tripathi, P Ganga Raju Achary
Machine-learning technique, QSAR and molecular dynamics for hERG-drug interactions. Journal of biomolecular structure & dynamics (2023)
Natalja Fjodorova, Marjana Novič, Katja Venko, Bakhtiyor Rasulev, Melek Türker Saçan, Gulcin Tugcu, Safiye Sağ Erdem, Alla P Toropova, Andrey A Toropov
Cheminformatics and Machine Learning Approaches to Assess Aquatic Toxicity Profiles of Fullerene Derivatives. International journal of molecular sciences 24 (18) (2023)
Alla P Toropova, Andrey A Toropov, Alessandra Roncaglioni, Emilio Benfenati
Using the Correlation Intensity Index to Build a Model of Cardiotoxicity of Piperidine Derivatives. Molecules (Basel, Switzerland) 28 (18) (2023)
Andrey A Toropov, Devon A Barnes, Alla P Toropova, Alessandra Roncaglioni, Alasdair R Irvine, Rosalinde Masereeuw, Emilio Benfenati
CORAL Models for Drug-Induced Nephrotoxicity. Toxics 11 (4) (2023)
Alla P Toropova, Andrey A Toropov, Alessandra Roncaglioni, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski
The validation of predictive potential via the system of self-consistent models: the simulation of blood-brain barrier permeation of organic compounds. Journal of molecular modeling 29 (7) (2023)
Alla P Toropova, Andrey A Toropov, Alessandra Roncaglioni, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski
The validation of predictive potential via the system of self-consistent models: the simulation of blood-brain barrier permeation of organic compounds. Journal of molecular modeling 29 (7) (2023)
Andrey A Toropov, Alla P Toropova, Alessandra Roncaglioni, Emilio Benfenati
Semi-Correlations for Building Up a Simulation of Eye Irritation. Toxics 11 (12) (2023)
Andrey A Toropov, Devon A Barnes, Alla P Toropova, Alessandra Roncaglioni, Alasdair R Irvine, Rosalinde Masereeuw, Emilio Benfenati
CORAL Models for Drug-Induced Nephrotoxicity. Toxics 11 (4) (2023)
Alla P Toropova, Andrey A Toropov, Alessandra Roncaglioni, Emilio Benfenati
The System of Self-Consistent Models: QSAR Analysis of Drug-Induced Liver Toxicity. Toxics 11 (5) (2023)
Alla P Toropova, Andrey A Toropov, Alessandra Roncaglioni, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski
CORAL: Model of Ecological Impact of Heavy Metals on Soils via the Study of Modification of Concentration of Biomolecules in Earthworms (Eisenia fetida). Archives of environmental contamination and toxicology (2023)
Andrey A Toropov, Alla P Toropova, Danuta Leszczynska, Jerzy Leszczynski
Development of Self-Consistency Models of Anticancer Activity of Nanoparticles under Different Experimental Conditions Using Quasi-SMILES Approach. Nanomaterials (Basel, Switzerland) 13 (12) (2023)
Alla P Toropova, Andrey A Toropov, Alessandra Roncaglioni, Emilio Benfenati
Monte Carlo technique to study the adsorption affinity of azo dyes by applying new statistical criteria of the predictive potential. SAR and QSAR in environmental research 33 (8) (2022)
Alla P Toropova, Andrey A Toropov, E L Viganò, E Colombo, Alessandra Roncaglioni, Emilio Benfenati
Carcinogenicity prediction using the index of ideality of correlation. SAR and QSAR in environmental research 33 (6) (2022)
Gianluca Selvestrel, Giovanna J Lavado, Alla P Toropova, Andrey A Toropov, Domenico Gadaleta, Marco Marzo, Diego Baderna, Emilio Benfenati
Monte Carlo Models for Sub-Chronic Repeated-Dose Toxicity: Systemic and Organ-Specific Toxicity. International journal of molecular sciences 23 (12) (2022)
Parvin Kumar, R Singh, A Kumar, Alla P Toropova, Andrey A Toropov, M Devi, S Lal, J Sindhu, Devender Singh
Identifications of good and bad structural fragments of hydrazone/2,5-disubstituted-1,3,4-oxadiazole hybrids with correlation intensity index and consensus modelling using Monte Carlo based QSAR studies, their molecular docking and ADME analysis. SAR and QSAR in environmental research 33 (9) (2022)
Andrey A Toropov, Alla P Toropova, P Ganga Raju Achary, Maria Raškova, Ivan Raška
The searching for agents for Alzheimer's disease treatment via the system of self-consistent models. Toxicology mechanisms and methods 32 (7) (2022)
Alla P Toropova, Andrey A Toropov
Quasi-SMILES as a basis to build up models of endpoints for nanomaterials. Environmental technology (2022)
Andrey A Toropov, Alla P Toropova, Anna Lombardo, Alessandra Roncaglioni, G J Lavado, Emilio Benfenati
The Monte Carlo method to build up models of the hydrolysis half-lives of organic compounds. SAR and QSAR in environmental research 32 (6) (2021)
Andrey A Toropov, Alla P Toropova, Emilio Benfenati
The QSAR-search of effective agents towards coronaviruses applying the Monte Carlo method. SAR and QSAR in environmental research 32 (9) (2021)
Andrey A Toropov, Alla P Toropova
The system of self-consistent models for the uptake of nanoparticles in PaCa2 cancer cells. Nanotoxicology 15 (7) (2021)
Alla P Toropova, Andrey A Toropov, Anna Lombardo, Giovanna Lavado, Emilio Benfenati
Paradox of 'ideal correlations': improved model for air half-life of persistent organic pollutants. Environmental technology (2021)
Alla P Toropova, Andrey A Toropov
Can the Monte Carlo method predict the toxicity of binary mixtures? Environmental science and pollution research international 28 (29) (2021)
Andrey A Toropov, Alla P Toropova
QSPR/QSAR: State-of-Art, Weirdness, the Future. Molecules (Basel, Switzerland) 25 (6) (2020)
Andrey A Toropov, Alla P Toropova, Aleksandar M Veselinović, Danuta Leszczynska, Jerzy Leszczynski
SARS-CoV Mpro inhibitory activity of aromatic disulfide compounds: QSAR model. Journal of biomolecular structure & dynamics (2020)
Shahin Ahmadi, Alla P Toropova, Andrey A Toropov
Correlation intensity index: mathematical modeling of cytotoxicity of metal oxide nanoparticles. Nanotoxicology 14 (8) (2020)
Andrey A Toropov, Alla P Toropova, Gianluca Selvestrel, Diego Baderna, Emilio Benfenati
Prediction of No Observed Adverse Effect Concentration for inhalation toxicity using Monte Carlo approach. SAR and QSAR in environmental research 31 (12) (2020)
M Marzo, G J Lavado, F Como, Alla P Toropova, Andrey A Toropov, D Baderna, C Cappelli, A Lombardo, C Toma, M Blázquez, E Benfenati
QSAR models for biocides: The example of the prediction of Daphnia magna acute toxicity. SAR and QSAR in environmental research 31 (3) (2020)
Alla P Toropova, Andrey A Toropov, Edoardo Carnesecchi, Emilio Benfenati, Jean Lou Dorne
The using of the Index of Ideality of Correlation (IIC) to improve predictive potential of models of water solubility for pesticides. Environmental science and pollution research international 27 (12) (2020)
Domenico Gadaleta, Marco Marzo, Andrey Toropov, Alla P Toropova, Giovanna J Lavado, Sylvia E Escher, Jean Lou C M Dorne, Emilio Benfenati
Integrated In Silico Models for the Prediction of No-Observed-(Adverse)-Effect Levels and Lowest-Observed-(Adverse)-Effect Levels in Rats for Sub-chronic Repeated-Dose Toxicity. Chemical research in toxicology 34 (2) (2020)
Andrey A Toropov, Alla P Toropova, Emilio Benfenati
'Ideal correlations' for the predictive toxicity to Tetrahymena pyriformis. Toxicology mechanisms and methods 30 (8) (2020)
Alla P Toropova, Andrey A Toropov
Does the Index of Ideality of Correlation Detect the Better Model Correctly? Molecular informatics 38 (8-9) (2019)
Andrey A Toropov, Alla P Toropova, G Selvestrel, E Benfenati
Idealization of correlations between optimal simplified molecular input-line entry system-based descriptors and skin sensitization. SAR and QSAR in environmental research 30 (6) (2019)
Andrey A Toropov, Alla P Toropova, Emilio Benfenati, Mario Salmona
Mutagenicity, anticancer activity and blood brain barrier: similarity and dissimilarity of molecular alerts. Toxicology mechanisms and methods 28 (5) (2018)
Alla P Toropova, Andrey A Toropov
The index of ideality of correlation: improvement of models for toxicity to algae. Natural product research 33 (15) (2018)
Alla P Toropova, Andrey A Toropov
Use of the index of ideality of correlation to improve models of eco-toxicity. Environmental science and pollution research international 25 (31) (2018)
Andrey A Toropov, Natalia Sizochenko, Alla P Toropova, Jerzy Leszczynski
Towards the Development of Global Nano-Quantitative Structure-Property Relationship Models: Zeta Potentials of Metal Oxide Nanoparticles. Nanomaterials (Basel, Switzerland) 8 (4) (2018)
Andrey A Toropov, Alla P Toropova
Use of the index of ideality of correlation to improve predictive potential for biochemical endpoints. Toxicology mechanisms and methods 29 (1) (2018)