A. Toropov

Emilio Benfenati, Andrey A Toropov, Alla P Toropova, 2017, Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.

QSAR as a random event: a case of NOAEL

A. Toropova, A. Toropov, A. Veselinović, 2015, Environmental Science and Pollution Research.

QSPR Modeling of Gibbs Free Energy of Organic Compounds by Weighting of Nearest Neighboring Codes

E. Castro, A. Toropova, A. Toropov, 2005 .

Maximum Topological Distances Based Indices as Molecular Descriptors for QSPR. 4. Modeling the Enthalpy of Formation of Hydrocarbons from Elements

Andrey A. Toropov, Eduardo A. Castro, E. Castro, 2001 .

Building up a QSAR model for toxicity toward Tetrahymena pyriformis by the Monte Carlo method: A case of benzene derivatives.

Andrey A Toropov, Alla P Toropova, Terry W Schultz, 2016, Environmental toxicology and pharmacology.

Improved building up a model of toxicity towards Pimephales promelas by the Monte Carlo method.

I. Raška, A. Toropova, A. Toropov, 2016, Environmental toxicology and pharmacology.

QSPR modeling of the water solubility of diverse functional aliphatic compounds by optimization of correlation weights of local graph invariants

K. Roy, A. Toropov, 2005, Journal of molecular modeling.

CORAL: QSPR models for solubility of [C60] and [C70] fullerene derivatives

Jerzy Leszczynski, Emilio Benfenati, Giuseppina Gini, 2011, Molecular Diversity.

Use of the index of ideality of correlation to improve aquatic solubility model.

E. Benfenati, A. Toropova, A. Toropov, 2019, Journal of molecular graphics & modelling.

QSPR modelling of normal boiling points and octanol/water partition coefficient for acyclic and cyclic hydrocarbons using SMILES-based optimal descriptors

E. Benfenati, A. Toropova, A. Toropov, 2010 .

Chapter 3 – Characterization of chemical structures

E. Benfenati, A. Toropov, Morena Spreafico, 2007 .

Correlations of indices calculated from the matrix of maximal topological distances with boiling points of alkylbenzenes

A. Toropova, A. Toropov, N. L. Voropaeva, 1997 .

Design and development of novel antibiotics based on FtsZ inhibition – in silico studies

A. Toropova, A. Toropov, A. Veselinović, 2018 .

CORAL: QSAR modeling of toxicity of organic chemicals towards Daphnia magna

Jerzy Leszczynski, Emilio Benfenati, Giuseppina Gini, 2012 .

QSAR models for biocides: The example of the prediction of Daphnia magna acute toxicity

E. Benfenati, A. Toropova, A. Toropov, 2020, SAR and QSAR in environmental research.

Ecosystem ecology: Models for acute toxicity of pesticides towards Daphnia magna.

E. Benfenati, A. Toropova, A. Toropov, 2020, Environmental toxicology and pharmacology.

How the CORAL software can be used to select compounds for efficient treatment of neurodegenerative diseases?

J. Leszczynski, D. Leszczyńska, A. Toropova, 2020, Toxicology and applied pharmacology.

QSAR Development for Plasma Protein Binding: Influence of the Ionization State

E. Benfenati, A. Toropova, A. Toropov, 2018, Pharmaceutical Research.

QSAR of antimycobacterial activity of benzoxazoles by optimal SMILES-based descriptors

A. Toropova, A. Toropov, I. Yildiz, 2017, Medicinal Chemistry Research.

Monte Carlo based QSAR models for toxicity of organic chemicals to Daphnia magna

J. Leszczynski, D. Leszczyńska, A. Toropova, 2016 .

Quantitative structure–activity relationship models for bee toxicity

E. Benfenati, A. Toropova, A. Toropov, 2016 .

Application of the Monte Carlo Method to prediction of Dispersibility of Graphene in Various Solvents

E. Benfenati, J. Leszczynski, D. Leszczyńska, 2015 .

QSAR based on hybrid optimal descriptors as a tool to predict antibacterial activity against Staphylococcus aureus.

A. Toropov, I. Yildiz, K. Nesměrák, 2022, Frontiers in bioscience.

QSAR Models for Toxicity of Organic Substances to Daphnia magna Built up by Using the CORAL Freeware

G. Gini, E. Benfenati, A. Toropova, 2012, Chemical biology & drug design.

Pesticides, cosmetics, drugs: identical and opposite influences of various molecular features as measures of endpoints similarity and dissimilarity

E. Benfenati, A. Toropova, A. Toropov, 2020, Molecular Diversity.

Amino substituted nitrogen heterocycle ureas as kinase insert domain containing receptor (KDR) inhibitors: Performance of structure-activity relationship approaches.

J. Leszczynski, D. Leszczyńska, A. Toropov, 2015, Journal of food and drug analysis.

The study of the index of ideality of correlation as a new criterion of predictive potential of QSPR/QSAR-models.

I. Raška, A. Toropova, A. Toropov, 2019, The Science of the total environment.

Estimation of 2D autocorrelation descriptors and 2D Monte Carlo descriptors as a tool to build up predictive models for acetylcholinesterase (AChE) inhibitory activity

Julio Caballero, A. Toropova, A. Toropov, 2019, Chemometrics and Intelligent Laboratory Systems.

Towards predicting the solubility of CO2 and N2 in different polymers using a quasi-SMILES based QSPR approach

A. Toropova, A. Toropov, P. Achary, 2016, SAR and QSAR in environmental research.

Quasi-SMILES and nano-QFPR: The predictive model for zeta potentials of metal oxide nanoparticles

A. Toropova, A. Toropov, P. Achary, 2016 .

Structure-toxicity relationships for aliphatic compounds based on correlation weighting of local graph invariants

A. Toropov, P. Duchowicz, 2003 .

Corrigendum to "The application of new HARD-descriptor available from the CORAL software to building up NOAEL models" [Food Chem. Toxicol. 112 (2018) 544-550].

Emilio Benfenati, Jean Lou Dorne, Andrey A Toropov, 2019, Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.

Applying of the Monte Carlo method for the prediction of behavior of peptides.

A. Toropova, A. Toropov, 2019, Current protein & peptide science.

The Monte Carlo technique as a tool to predict LOAEL.

A. Toropova, A. Toropov, A. Veselinović, 2016, European journal of medicinal chemistry.

Quasi-QSPR to Predict Proteins Behavior Under Various Concentrations of Drug Using Nanoconductometric Assay

C. Nicolini, N. Bragazzi, E. Pechkova, 2016 .

CORAL: prediction of binding affinity and efficacy of thyroid hormone receptor ligands.

E. Benfenati, A. Toropova, A. Toropov, 2015, European journal of medicinal chemistry.

QSPR models for estimating retention in HPLC with the p solute polarity parameter based on the Monte Carlo method

G. Nikolic, A. Toropova, A. Toropov, 2016, Structural Chemistry.

QSAR models for inhibitors of physiological impact of Escherichia coli that leads to diarrhea.

G. Gini, E. Benfenati, J. Leszczynski, 2013, Biochemical and biophysical research communications.

SMILES-based QSPR model for half-wave potentials of 1-phenyl-5-benzyl-sulfanyltetrazoles using CORAL

A. Toropov, K. Nesměrák, 2012 .

QSAR modeling of anxiolytic activity taking into account the presence of keto- and enol-tautomers by balance of correlations with ideal slopes

G. Gini, E. Benfenati, J. Leszczynski, 2011 .

QSPR modelling of the octanol/water partition coefficient of organometallic substances by optimal SMILES-based descriptors

E. Benfenati, A. Toropova, A. Toropov, 2009 .

QSPR modeling bioconcentration factor (BCF) by balance of correlations.

E. Benfenati, A. Toropova, A. Toropov, 2009, European journal of medicinal chemistry.

Conformation-Independent QSAR on c-Src Tyrosine Kinase Inhibitors

E. Castro, N. C. Comelli, A. Toropova, 2014 .

Improved QSAR modeling of anti-HIV-1 acivities by means of the optimized correlation weights of local graph invariants

E. Castro, D. Marino, A. Toropov, 2006 .

QSAR Modeling ANTI-HIV-1 Activities by Optimization of Correlation Weights of Local Graph Invariants

E. Castro, F. Torrens, A. Toropov, 2004 .

Calculation of pK values of flavylium salts from the optimization of correlation weights of local graph invariants

D. Marino, A. Toropov, P. Peruzzo, 2001 .

Use of the international chemical identifier for constructing QSPR-model of normal boiling points of acyclic carbonyl substances

E. Benfenati, J. Leszczynski, D. Leszczyńska, 2009 .

Monte Carlo Models for Sub-Chronic Repeated-Dose Toxicity: Systemic and Organ-Specific Toxicity

E. Benfenati, A. Toropova, A. Toropov, 2022, International journal of molecular sciences.

QSAR Modeling of Mutagenicity Based on Graphs of Atomic Orbitals

BioChem Press, A. Toropova, A. Toropov, 2002 .

Prediction of the self‐accelerating decomposition temperature of organic peroxides

A. Toropova, A. Toropov, P. Achary, 2021, Process Safety Progress.

3D and 4D molecular models derived from the ideal symmetry method: prediction of alkanes normal boiling points

E. Castro, A. Toropov, Germán Krenkel, 2002 .

Fractal dimensionality of molecular models obtained by the ideal symmetry method as a structural descriptor for QSPR investigations

B. Oksengendler, A. Toropov, I. N. Ruban, 1999 .

Ideal symmetry method for 4D models: Application for QSPR studies of alkanes and alkylbenzenes

A. Toropov, 1999 .

Testing the atomic orbital graph as a basis for QSPR modeling of the boiling points of haloalkanes

A. Toropova, A. Toropov, N. L. Voropaeva, 1999 .

Using the maximal topological distance matrix for QSPR modeling of the boiling points of cyclic hydrocarbons

A. Toropova, A. Toropov, N. L. Voropaeva, 1999 .

QSAR models for 1,2,4-benzotriazines as Src inhibitors based on Monte Carlo method

A. Toropova, A. Toropov, A. Veselinović, 2014, Medicinal Chemistry Research.

CORAL: Predictive models for cytotoxicity of functionalized nanozeolites based on quasi-SMILES.

E. Benfenati, A. Toropova, A. Toropov, 2018, Chemosphere.

QSAR models for HEPT derivates as NNRTI inhibitors based on Monte Carlo method.

A. Toropova, A. Toropov, A. Veselinović, 2014, European journal of medicinal chemistry.

SAR for gastro-intestinal absorption and blood-brain barrier permeation of pesticides.

E. Benfenati, J. Dorne, A. Toropova, 2018, Chemico-biological interactions.

The Index of Ideality of Correlation: QSAR Model of Acute Toxicity for Zebrafish (Danio rerio) Embryo

E. Benfenati, A. Toropova, A. Toropov, 2019, International Journal of Environmental Research.

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

A. Kumar, A. Toropova, A. Toropov, 2022, SAR and QSAR in environmental research.

Carcinogenicity prediction using the index of ideality of correlation

E. Benfenati, A. Roncaglioni, A. Toropova, 2022, SAR and QSAR in environmental research.

Computational approach for building QSAR models for inhibition of HIF-1A

Tripti Sharma, A. Toropova, A. Toropov, 2022, Journal of the Indian Chemical Society.

QSPR/QSAR: State-of-Art, Weirdness, the Future

A. Toropova, A. Toropov, 2020, Molecules.

Odor threshold prediction by means of the Monte Carlo method.

E. Benfenati, E. Davoli, A. Toropova, 2016, Ecotoxicology and environmental safety.

QSPR as a random event: solubility of fullerenes C[60] and C[70]

E. Benfenati, A. Toropova, A. Toropov, 2019, Fullerenes, Nanotubes and Carbon Nanostructures.

QSAR Modeling of Acute Toxicity for Nitrobenzene Derivatives Towards Rats: Comparative Analysis by MLRA and Optimal Descriptors

Jerzy Leszczynski, Andrey A. Toropov, Bakhtiyor Rasulev, 2007 .

Correlation intensity index: mathematical modeling of cytotoxicity of metal oxide nanoparticles

A. Toropova, A. Toropov, S. Ahmadi, 2020, Nanotoxicology.

Monte Carlo Method‐Based QSAR Modeling of Penicillins Binding to Human Serum Proteins

G. Nikolic, A. Toropova, A. Toropov, 2015, Archiv der Pharmazie.

QSAR models for 1,2,4-benzotriazines as Src inhibitors based on Monte Carlo method

A. Toropova, A. Toropov, A. Veselinović, 2014, Medicinal Chemistry Research.

Peculiarities of exciton-polaritons in GaN at different polarizations studied by μ-photoluminescence spectroscopy

J. Bergman, B. Monemar, P. Holtz, 2002 .

Temperature-dependent exciton polariton photoluminescence in ZnO films

A. Waag, B. Monemar, P. Holtz, 2004 .

The average numbers of outliers over groups of various splits into training and test sets: A criterion of the reliability of a QSPR? A case of water solubility

G. Gini, E. Benfenati, J. Leszczynski, 2012 .

The using of the Index of Ideality of Correlation (IIC) to improve predictive potential of models of water solubility for pesticides

E. Benfenati, J. Dorne, A. Toropova, 2020, Environmental Science and Pollution Research.

A quasi-SMILES based QSPR Approach towards the prediction of adsorption energy of Ziegler − Natta catalysts for propylene polymerization

A. Toropova, A. Toropov, P. Achary, 2016 .

Use of the index of ideality of correlation to improve models of eco-toxicity

Andrey A. Toropov, Alla P. Toropova, A. Toropova, 2018, Environmental Science and Pollution Research.

EFSA's OpenFoodTox: An open source toxicological database on chemicals in food and feed and its future developments.

M. Pavan, E. Benfenati, J. Dorne, 2021, Environment international.

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.

E. Benfenati, J. Dorne, A. Toropova, 2020, Chemical research in toxicology.

Developing innovative in silico models with EFSA's OpenFoodTox database

Emilio Benfenati, Andrey A. Toropov, Alla P. Toropova, 2017 .

QSAR models for predicting acute toxicity of pesticides in rainbow trout using the CORAL software and EFSA's OpenFoodTox database.

Emilio Benfenati, Andrey A Toropov, Alla P Toropova, 2017, Environmental toxicology and pharmacology.

QSPR calculation of normal boiling points of organic molecules based on the use of correlation weighting of atomic orbitals with extended connectivity of zero- and first-order graphs of atomic orbitals.

Maykel Pérez González, Pablo R Duchowicz, Eduardo A Castro, 2004, Molecules.

CORAL: Building up QSAR models for the chromosome aberration test

Emilio Benfenati, Andrey A. Toropov, Alla P. Toropova, 2018, Saudi journal of biological sciences.

Aconitum and Delphinium Diterpenoid Alkaloids of Local Anesthetic Activity: Comparative QSAR Analysis Based on GA-MLRA/PLS and Optimal Descriptors Approach

A A Toropov, D Leszczynska, J. Leszczynski, 2014, Journal of environmental science and health. Part C, Environmental carcinogenesis & ecotoxicology reviews.

QSPR studies on refractive indices of structurally heterogeneous polymers

Andrey A. Toropov, Alla P. Toropova, Pablo R. Duchowicz, 2015 .

Large-scale classification of P-glycoprotein inhibitors using SMILES-based descriptors

A P Toropova, V Prachayasittikul, A Worachartcheewan, 2017, SAR and QSAR in environmental research.

How fullerene derivatives (FDs) act on therapeutically important targets associated with diabetic diseases

M. Novič, A. Toropova, A. Toropov, 2022, Computational and structural biotechnology journal.

QSAR model for blood-brain barrier permeation.

Andrey A Toropov, Alla P Toropova, Mario Salmona, 2017, Journal of pharmacological and toxicological methods.

Prediction of shear angle for continuous orthogonal cutting using thermo-mechanical constants of work material and cutting conditions

A. Toropov, S. Ko, 2007 .

Prediction of tool-chip contact length using a new slip-line solution for orthogonal cutting

Sung-Lim Ko, Andrey Toropov, A. Toropov, 2003 .

Excitonic parameters of GaN studied by time-of-flight spectroscopy

J. Bergman, B. Gil, J. Leymarie, 2011, 1104.2749.

Transient photoluminescence of shallow donor bound excitons in GaN

J. Bergman, P. Paskov, B. Monemar, 2010 .

Resonant light delay in GaN with ballistic and diffusive propagation.

J. Bergman, A. Kavokin, J. Leymarie, 2007, Physical review letters.

Time-resolved Spectroscopy of Excitons Bound at Shallow Neutral Donors in HVPE GaN

J. Bergman, K. Jarašiūnas, P. Paskov, 2006 .

Calculation of molecular features with apparent impact on both activity of mutagens and activity of anticancer agents.

Jerzy Leszczynski, Emilio Benfenati, Giuseppina Gini, 2012, Anti-cancer agents in medicinal chemistry.

QSAR modeling of acute toxicity by balance of correlations.

Jerzy Leszczynski, Andrey A Toropov, J. Leszczynski, 2008, Bioorganic & medicinal chemistry.

Predicting acute contact toxicity of organic binary mixtures in honey bees (A. mellifera) through innovative QSAR models.

E. Benfenati, J. Dorne, N. Kramer, 2019, The Science of the total environment.

CORAL Models for Drug-Induced Nephrotoxicity

E. Benfenati, R. Masereeuw, A. Toropova, 2023, Toxics.

QSPR/QSAR analyses by means of the CORAL software: Results, challenges, perspectives

Jerzy Leszczynski, Andrey A. Toropov, Alla P. Toropova, 2015 .

Multiplicative SMILES-based optimal descriptors: QSPR modeling of fullerene C60 solubility in organic solvents

Jerzy Leszczynski, Andrey A. Toropov, Danuta Leszczynska, 2007 .

QSAR model for pesticides toxicity to Rainbow Trout based on "ideal correlations".

E. Benfenati, A. Toropova, A. Toropov, 2020, Aquatic toxicology.

A model of burr formation in the feed direction in turning

Andrey Toropov, Sung-Lim Ko, A. Toropov, 2006 .

Experimental study of burrs formed in feed direction when turning aluminum alloy Al6061-T6

Andrey Toropov, Sung-Lim Ko, Byung-Kwon Kim, 2005 .

The Monte Carlo Method as a tool to build up predictive QSPR/QSAR.

Andrey A Toropov, Alla P Toropova, A. Toropova, 2019, Current computer-aided drug design.

Blood Brain Barrier and Alzheimer’s Disease: Similarity and Dissimilarity of Molecular Alerts

Andrey A. Toropov, Alla P. Toropova, Sanija Begum, 2017, Current neuropharmacology.

The Monte Carlo method to build up models of the hydrolysis half-lives of organic compounds

E. Benfenati, A. Roncaglioni, A. Toropova, 2021, SAR and QSAR in environmental research.

Novel application of the CORAL software to model cytotoxicity of metal oxide nanoparticles to bacteria Escherichia coli.

Jerzy Leszczynski, Emilio Benfenati, Giuseppina Gini, 2012, Chemosphere.

Monte Carlo Method Based QSAR Modeling of Coumarin Derivates as Potent HIV‐1 Integrase Inhibitors and Molecular Docking Studies of Selected 4‐phenyl Hydroxycoumarins

I. Damnjanovic, A. Toropova, A. Toropov, 2014 .

Recombination dynamics of free and bound excitons in bulk GaN

J. Bergman, P. Paskov, B. Monemar, 2008 .

The definition of the molecular structure for potential anti-malaria agents by the Monte Carlo method

Emilio Benfenati, Giuseppina Gini, Andrey A. Toropov, 2013, Structural Chemistry.

Pesticides, cosmetics, drugs: identical and opposite influences of various molecular features as measures of endpoints similarity and dissimilarity

E. Benfenati, A. Toropova, A. Toropov, 2020, Molecular diversity.

CORAL: Predictions of rate constants of hydroxyl radical reaction using representation of the molecular structure obtained by combination of SMILES and Graph approaches

Jerzy Leszczynski, Emilio Benfenati, Giuseppina Gini, 2012 .

The unreliability of the reliability criteria in the estimation of QSAR for skin sensitivity: a pun or a reliable law?

A. Toropova, A. Toropov, 2021, Toxicology letters.

Idealization of correlations between optimal simplified molecular input-line entry system-based descriptors and skin sensitization

E Benfenati, A P Toropova, A A Toropov, 2019, SAR and QSAR in environmental research.

Mutagenicity, anticancer activity and blood brain barrier: similarity and dissimilarity of molecular alerts

Emilio Benfenati, Andrey A Toropov, Alla P Toropova, 2018, Toxicology mechanisms and methods.

QSAR modeling of endpoints for peptides which is based on representation of the molecular structure by a sequence of amino acids

Emilio Benfenati, Giuseppina Gini, Andrey A. Toropov, 2012, Structural Chemistry.

QSAR models for ACE-inhibitor activity of tri-peptides based on representation of the molecular structure by graph of atomic orbitals and SMILES

Jerzy Leszczynski, Emilio Benfenati, Giuseppina Gini, 2012, Structural Chemistry.

Polarization-resolved phonon-assisted optical transitions of bound excitons in wurtzite GaN

J. Bergman, P. Paskov, B. Monemar, 2008 .

QSAR models for soil ecotoxicity: Development and validation of models to predict reproductive toxicity of organic chemicals in the collembola Folsomia candida.

E. Benfenati, J. Dorne, A. Toropova, 2022, Journal of hazardous materials.

Large-scale QSAR study of aromatase inhibitors using SMILES-based descriptors

Apilak Worachartcheewan, Virapong Prachayasittikul, Chanin Nantasenamat, 2014 .

SMILES as an alternative to the graph in QSAR modelling of bee toxicity

Emilio Benfenati, Andrey A. Toropov, E. Benfenati, 2007, Comput. Biol. Chem..

QSPR modeling of octanol water partition coefficient of platinum complexes by InChI-based optimal descriptors

Emilio Benfenati, Andrey A. Toropov, Alla P. Toropova, 2009 .

Evolution of Optimal Descriptors: Solved, Unsolved, and Unsoluble Tasks

Andrey A. Toropov, Alla P. Toropova, A. Toropova, 2016 .

Assessment of nano-QSPR models of organic contaminant absorption by carbon nanotubes for ecological impact studies

Andrey A. Toropov, Alla P. Toropova, A. Toropova, 2016 .

CORAL: Quantitative structure–activity relationship models for estimating toxicity of organic compounds in rats

Giuseppina C. Gini, Jerzy Leszczynski, Emilio Benfenati, 2011, J. Comput. Chem..

Analysis of the co-evolutions of correlations as a tool for QSAR-modeling of carcinogenicity: an unexpected good prediction based on a model that seems untrustworthy

Emilio Benfenati, Andrey A. Toropov, Alla P. Toropova, 2010 .

Semi-correlations as a tool to model for skin sensitization.

E. Benfenati, A. Toropova, A. Toropov, 2021, Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association.

The System of Self-Consistent of Models: A New Approach to Build Up and Validation of Predictive Models of the Octanol/Water Partition Coefficient for Gold Nanoparticles

Andrey A. Toropov, Alla P. Toropova, A. Toropova, 2021, International Journal of Environmental Research.

Index of Ideality of Correlation: new possibilities to validate QSAR: a case study

Andrey A. Toropov, Alla P. Toropova, Ramon Carbó-Dorca, 2018, Structural Chemistry.

The index of ideality of correlation: A criterion of predictive potential of QSPR/QSAR models?

Andrey A Toropov, Alla P Toropova, A. Toropova, 2017, Mutation research.

The index of ideality of correlation: A criterion of predictability of QSAR models for skin permeability?

Andrey A Toropov, Alla P Toropova, A. Toropova, 2017, The Science of the total environment.

Use of Quasi-SMILES and Monte Carlo Optimization to Develop Quantitative Feature Property/Activity Relationships (QFPR/QFAR) for Nanomaterials.

Robert Rallo, Andrey A Toropov, Alla P Toropova, 2015, Current topics in medicinal chemistry.

The Monte Carlo method based on eclectic data as an efficient tool for predictions of endpoints for nanomaterials - two examples of application.

Jerzy Leszczynski, Danuta Leszczynska, Pablo R Duchowicz, 2015, Combinatorial chemistry & high throughput screening.

QSAR model as a random event: A case of rat toxicity.

Jerzy Leszczynski, Emilio Benfenati, Danuta Leszczynska, 2015, Bioorganic & medicinal chemistry.

SMILES-based quantitative structure-property relationships for half-wave potential of N-benzylsalicylthioamides.

Andrey A Toropov, Alla P Toropova, Karel Nesmerak, 2013, European journal of medicinal chemistry.

Development of QSAR models for predicting anti-HIV-1 activity using the Monte Carlo method

Emilio Benfenati, Giuseppina Gini, Andrey A. Toropov, 2013 .

SMILES-based QSAR model for arylpiperazines as high-affinity 5-HT(1A) receptor ligands using CORAL.

Andrey A Toropov, Aleksandar M Veselinović, Goran M Nikolić, 2013, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

SMILES‐Based QSAR Models for the Calcium Channel‐Antagonistic Effect of 1,4‐Dihydropyridines

Andrey A Toropov, Aleksandar M Veselinović, Goran M Nikolić, 2013, Archiv der Pharmazie.

CORAL: Monte Carlo Method as a Tool for the Prediction of the Bioconcentration Factor of Industrial Pollutants

E Benfenati, G Gini, A P Toropova, 2013, Molecular informatics.

Coral: QSPR modeling of rate constants of reactions between organic aromatic pollutants and hydroxyl radical

Giuseppina C. Gini, Jerzy Leszczynski, Emilio Benfenati, 2012, J. Comput. Chem..

CORAL: building up the model for bioconcentration factor and defining it's applicability domain.

E Benfenati, G Gini, A P Toropova, 2011, European journal of medicinal chemistry.

Co-evolutions of correlations for QSAR of toxicity of organometallic and inorganic substances: An unexpected good prediction based on a model that seems untrustworthy

Emilio Benfenati, Giuseppina Gini, Andrey A. Toropov, 2011 .

QSAR modelling toxicity toward rats of inorganic substances by means of CORAL

Emilio Benfenati, Giuseppina Gini, Andrey A. Toropov, 2010 .

SMILES-based optimal descriptors: QSAR modeling of carcinogenicity by balance of correlations with ideal slopes.

E Benfenati, A P Toropova, A A Toropov, 2010, European journal of medicinal chemistry.

QSPR modeling of enthalpies of formation for organometallic compounds by SMART‐based optimal descriptors

Emilio Benfenati, Andrey A. Toropov, Alla P. Toropova, 2009, J. Comput. Chem..

SMILES‐based optimal descriptors: QSAR analysis of fullerene‐based HIV‐1 PR inhibitors by means of balance of correlations

Jerzy Leszczynski, Emilio Benfenati, Andrey A. Toropov, 2009, J. Comput. Chem..

QSAR modelling of carcinogenicity by balance of correlations

E. Benfenati, E. Benfenati, A. Toropova, 2009, Molecular Diversity.

QSPR modeling for enthalpies of formation of organometallic compounds by means of SMILES-based optimal descriptors

Emilio Benfenati, Andrey A. Toropov, Alla P. Toropova, 2008 .

QSAR-Models, Validation, and IIC-Paradox for Drug Toxicity

Emilio Benfenati, Andrey A. Toropov, Alla P. Toropova, 2020 .

QSPR Modeling of Stability of Complexes of Adenosine Phosphate Derivatives with Metals Absent from the Complexes of the Teaching Access

A. Toropova, A. Toropov, 2001 .

CORAL: the prediction of biodegradation of organic compounds with optimal SMILES-based descriptors

Emilio Benfenati, Andrey A. Toropov, Alla P. Toropova, 2012 .

QSAR modeling of the antimicrobial activity of peptides as a mathematical function of a sequence of amino acids

Andrey A. Toropov, Jovana B. Veselinovic, Aleksandar M. Veselinovic, 2015, Comput. Biol. Chem..

The system of self-consistent models for vapour pressure

E. Benfenati, A. Toropova, A. Toropov, 2022, Chemical Physics Letters.

The enhancement scheme for the predictive ability of QSAR: A case of mutagenicity.

E. Benfenati, A. Toropova, A. Toropov, 2023, Toxicology in vitro : an international journal published in association with BIBRA.

Advancement of predictive modeling of zeta potentials (ζ) in metal oxide nanoparticles with correlation intensity index (CII)

J. Leszczynski, D. Leszczyńska, A. Toropova, 2020 .

Fullerenes C60 and C70: a model for solubility by applying the correlation intensity index

A. Toropova, A. Toropov, 2020 .

Quasi-SMILES as a tool to predict removal rates of pharmaceuticals and dyes in sewage

E. Benfenati, R. Fanelli, S. Castiglioni, 2018, Process Safety and Environmental Protection.

Prediction of Biochemical Endpoints by the CORAL Software: Prejudices, Paradoxes, and Results.

Emilio Benfenati, Alessandra Roncaglioni, Andrey A Toropov, 2018, Methods in molecular biology.

Monte Carlo–based quantitative structure–activity relationship models for toxicity of organic chemicals to Daphnia magna

Jerzy Leszczynski, Danuta Leszczynska, Andrey A Toropov, 2016, Environmental toxicology and chemistry.

‘Ideal correlations’ for the predictive toxicity to Tetrahymena pyriformis

E. Benfenati, A. Toropova, A. Toropov, 2020, Toxicology mechanisms and methods.

Prediction of Aquatic Toxicity: Use of Optimization of Correlation Weights of Local Graph Invariants

Andrey A. Toropov, T. Wayne Schultz, T. Schultz, 2003, J. Chem. Inf. Comput. Sci..

Paradox of ‘ideal correlations’: improved model for air half-life of persistent organic pollutants

E. Benfenati, A. Toropova, A. Toropov, 2021, Environmental technology.

Simplified Molecular Input‐Line Entry System and International Chemical Identifier in the QSAR Analysis of Styrylquinoline Derivatives as HIV‐1 Integrase Inhibitors

Emilio Benfenati, Giuseppina Gini, Andrey A Toropov, 2011, Chemical biology & drug design.

QSPR modeling of octanol/water partition coefficient of antineoplastic agents by balance of correlations.

Emilio Benfenati, Andrey A Toropov, Alla P Toropova, 2010, European journal of medicinal chemistry.

QSAR-modeling of toxicity of organometallic compounds by means of the balance of correlations for InChI-based optimal descriptors

E. Benfenati, E. Benfenati, A. Toropova, 2010, Molecular Diversity.

The graph of atomic orbitals and its basic properties. 2. Zagreb indices

Andrey A. Toropov, Alla P. Toropova, Boris Furtula, 2005 .

Multiple Linear Regression Analysis and Optimal Descriptors: Predicting the Cholesteryl Ester Transfer Protein Inhibition Activity

Jerzy Leszczynski, Andrey A. Toropov, Bakhtiyor Rasulev, 2008 .

Nanomaterials: Quasi-SMILES as a flexible basis for regulation and environmental risk assessment.

A. Toropova, A. Toropov, 2022, The Science of the total environment.

Using quasi-SMILES for the predictive modeling of the safety of 574 metal oxide nanoparticles measured in different experimental conditions.

J. Leszczynski, A. Toropova, A. Toropov, 2021, Environmental toxicology and pharmacology.

The index of ideality of correlation improves the predictive potential of models of the antioxidant activity of tripeptides from frog skin (Litoria rubella)

Emilio Benfenati, Andrey A. Toropov, Alla P. Toropova, 2021, Comput. Biol. Medicine.

Can the Monte Carlo method predict the toxicity of binary mixtures?

Andrey A. Toropov, Alla P. Toropova, A. Toropova, 2021, Environmental Science and Pollution Research.

The sequence of amino acids as the basis for the model of biological activity of peptides

A. Toropova, A. Toropov, M. Rasková, 2021, Theoretical Chemistry Accounts.

Correlation Intensity Index (CII) as a criterion of predictive potential: Applying to model thermal conductivity of metal oxide-based ethylene glycol nanofluids

M. Fatemi, A. Toropova, A. Toropov, 2020 .

3D weighting of molecular descriptors for QSPR/QSAR by the method of ideal symmetry (MIS). 1. Application to boiling points of alkanes

Andrey A. Toropov, Alla P. Toropova, Danail Bonchev, 1998 .

Modeling of acyclic carbonyl compounds normal boiling points by correlation weighting of nearest neighboring codes

Andrey A. Toropov, Alla P. Toropova, A. Toropova, 2002 .

Maximum topological distances based indices as molecular descriptors for QSPR

Andrey A. Toropov, Eduardo A. Castro, Andrew G. Mercader, 2000 .

Optimal descriptors as a tool to predict the thermal decomposition of polymers

Jerzy Leszczynski, Andrey A. Toropov, Alla P. Toropova, 2014, Journal of Mathematical Chemistry.

SARS-CoV Mpro inhibitory activity of aromatic disulfide compounds: QSAR model

J. Leszczynski, D. Leszczyńska, A. Toropova, 2020, Journal of biomolecular structure & dynamics.

Prediction of the Q-e parameters from structures of transfer chain agents

V. O. Kudyshkin, R. Rallo, A. Toropova, 2015, Journal of Polymer Research.

CORAL software: prediction of carcinogenicity of drugs by means of the Monte Carlo method.

Andrey A Toropov, Alla P Toropova, A. Toropova, 2014, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.

Determination of stress state in chip formation zone by central slip-line field

A. Toropov, S. Ko, 2005 .

Improved model for fullerene C60 solubility in organic solvents based on quantum-chemical and topological descriptors

Jerzy Leszczynski, Andrey A. Toropov, Danuta Leszczynska, 2011 .

Predicting thermal conductivity of nanomaterials by correlation weighting technological attributes codes

Jerzy Leszczynski, Andrey A. Toropov, Danuta Leszczynska, 2007 .

Development of Self-Consistency Models of Anticancer Activity of Nanoparticles under Different Experimental Conditions Using Quasi-SMILES Approach

J. Leszczynski, D. Leszczyńska, A. Toropova, 2023, Nanomaterials.

CORAL: model for no observed adverse effect level (NOAEL)

E. Benfenati, A. Toropova, A. Toropov, 2015, Molecular Diversity.

QSPR modeling of alkanes properties based on graph of atomic orbitals

Andrey A. Toropov, Alla P. Toropova, A. Toropova, 2003 .

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.

Ernesto Alfaro-Moreno, A. Toropova, A. Toropov, 2023, Drug and chemical toxicology.

Monte Carlo technique to study the adsorption affinity of azo dyes by applying new statistical criteria of the predictive potential

E. Benfenati, A. Roncaglioni, A. Toropova, 2022, SAR and QSAR in environmental research.

Use of quasi-SMILES to build models based on quantitative results from experiments with nanomaterials.

F. Kjeldsen, A. Toropova, A. Toropov, 2022, Chemosphere.

The system of self-consistent models for the uptake of nanoparticles in PaCa2 cancer cells

A. Toropova, A. Toropov, 2021, Nanotoxicology.

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

A. Toropova, A. Toropov, N. Fjodorova, 2023, International journal of molecular sciences.

Extending of QSPR/QSAR-algorithms for the prediction of the behavior of nanomaterials

A. Toropova, A. Toropov, 2020 .

Isoprenylcysteine carboxyl methyltransferase inhibitors: QSAR, docking and molecular dynamics studies

Tripti Sharma, A. Toropova, A. Toropov, 2023, Journal of Molecular Structure.

Fragments of local symmetry in a sequence of amino acids: Does one can use for QSPR/QSAR of peptides?

A. Toropova, A. Toropov, Parvin Kumar, 2023, Journal of Molecular Structure.

Combinations of graph invariants and attributes of simplified molecular input-line entry system (SMILES) to build up models for sweetness.

A. Toropova, A. Toropov, P. Achary, 2019, Food research international.

CORAL: QSAR models for carcinogenicity of organic compounds for male and female rats

Andrey A. Toropov, Alla P. Toropova, A. Toropova, 2018, Comput. Biol. Chem..

CORAL: Model for octanol/water partition coefficient

E. Benfenati, A. Toropova, A. Toropov, 2015 .

CORAL: binary classifications (active/inactive) for Liver-Related Adverse Effects of Drugs.

G. Gini, E. Benfenati, J. Leszczynski, 2012, Current drug safety.

Whether The Validation Of The Predictive Potential Of Toxicity Models Is Solved Task?

Andrey A Toropov, Alla P Toropova, A. Toropova, 2019, Current topics in medicinal chemistry.

The system of self-consistent models for pesticide toxicity to Daphnia magna

E. Benfenati, A. Toropova, A. Toropov, 2023, Toxicology mechanisms and methods.

QSPR and Nano-QSPR: Which One Is Common? The Case of Fullerenes Solubility

A. Toropova, A. Toropov, N. Fjodorova, 2023, Inorganics.

The searching for agents for Alzheimer’s disease treatment via the system of self-consistent models

I. Raška, A. Toropova, A. Toropov, 2022, Toxicology mechanisms and methods.

The system of self-consistent QSPR-models for refractive index of polymers

V. O. Kudyshkin, A. Toropova, A. Toropov, 2021, Structural Chemistry.

The system of self-consistent semi-correlations as one of the tools of cheminformatics for design antiviral drugs

E. Benfenati, A. Toropova, A. Toropov, 2021, New Journal of Chemistry.

Quasi-SMILES as a basis for the development of models for the toxicity of ZnO nanoparticles.

A. Toropova, A. Toropov, 2021, The Science of the total environment.

Quasi-SMILES as a tool to utilize eclectic data for predicting the behavior of nanomaterials

Emilio Benfenati, Andrey A. Toropov, Alla P. Toropova, 2016 .

The validation of predictive potential via the system of self-consistent models: the simulation of blood–brain barrier permeation of organic compounds

E. Benfenati, J. Leszczynski, D. Leszczyńska, 2023, Journal of Molecular Modeling.

Machine-learning technique, QSAR and molecular dynamics for hERG-drug interactions.

Tripti Sharma, A. Toropova, A. Toropov, 2023, Journal of biomolecular structure & dynamics.

QSPR Modeling of Hydrocarbon Dipole Moments by Means of Correlation Weighting of Local Graph Invariants

E. Castro, F. Torrens, A. Toropov, 2003 .

Improved QSPR Analysis of Standard Entropy of Acyclic and Aromatic Compounds using Optimized Correlation Weights of Linear Graph Invariants

Andrey A. Toropov, Eduardo A. Castro, Pablo Duchowicz, 2002, Comput. Chem..

Discovery of Potential, Non‐Toxic Influenza Virus Inhibitor by Computational Techniques

K. Ramanathan, V. Karthick, A. Toropova, 2014, Molecular informatics.

Using the local symmetry in amino acids sequences of polypeptides to improve the predictive potential of models of their inhibitor activity

A. Toropova, A. Toropov, 2023, Amino Acids.

QSAR modeling of measured binding affinity for fullerene-based HIV-1 PR inhibitors by CORAL

Jerzy Leszczynski, Emilio Benfenati, Andrey A. Toropov, 2010 .

In silico methods to predict drug toxicity.

Emilio Benfenati, Alessandra Roncaglioni, Andrey A Toropov, 2013, Current opinion in pharmacology.

Using nano-QSAR to predict the cytotoxicity of metal oxide nanoparticles.

T. Puzyn, J. Leszczynski, H. Hwang, 2011, Nature nanotechnology.

QSAR model for predicting cell viability of human embryonic kidney cells exposed to SiO₂ nanoparticles.

E. Benfenati, A. Toropova, A. Toropov, 2016, Chemosphere.

SMILES-based optimal descriptors: QSAR modeling of estrogen receptor binding affinity by correlation balance

G. Gini, E. Benfenati, A. Toropova, 2012, Structural Chemistry.

QSAR Model for Cytotoxicity of Silica Nanoparticles on Human Embryonic Kidney Cells1

Emilio Benfenati, Andrey A. Toropov, Alla P. Toropova, 2016 .

CORAL: Binary classifications (active/inactive) for drug-induced liver injury.

Andrey A Toropov, Alla P Toropova, A. Toropova, 2017, Toxicology letters.

QSAR as a Random Event: Selecting of the Molecular Structure for Potential Anti-tuberculosis Agents

Emilio Benfenati, Andrey A. Toropov, Alla P. Toropova, 2016 .

OCWLGI descriptors: theory and praxis.

Emilio Benfenati, Giuseppina Gini, Andrey A Toropov, 2013, Current computer-aided drug design.

A Nano-QSTR model to predict nano-cytotoxicity: an approach using human lung cells data

Ernesto Alfaro-Moreno, A. Toropova, A. Toropov, 2023, Particle and Fibre Toxicology.

Comprehension of drug toxicity: Software and databases

Jerzy Leszczynski, Andrey A. Toropov, Alla P. Toropova, 2014, Comput. Biol. Medicine.

QSAR models for inhibitors of physiological impact of Escherichia coli that leads to diarrhea.

G. Gini, E. Benfenati, J. Leszczynski, 2013, Biochemical and biophysical research communications.

Predicting water solubility and octanol water partition coefficient for carbon nanotubes based on the chiral vector

Jerzy Leszczynski, Andrey A. Toropov, Danuta Leszczynska, 2007, Comput. Biol. Chem..

SMILES-based QSAR approaches for carcinogenicity and anticancer activity: comparison of correlation weights for identical SMILES attributes.

Jerzy Leszczynski, Emilio Benfenati, Giuseppina Gini, 2011, Anti-cancer agents in medicinal chemistry.

SMILES in QSPR/QSAR Modeling: results and perspectives.

Emilio Benfenati, Andrey A Toropov, E. Benfenati, 2007, Current drug discovery technologies.

Cheminformatics and Machine Learning Approaches to Assess Aquatic Toxicity Profiles of Fullerene Derivatives

M. Novič, A. Toropova, A. Toropov, 2023, International journal of molecular sciences.

Application of the Monte Carlo method for building up models for octanol-water partition coefficient of platinum complexes

Andrey A. Toropov, Alla P. Toropova, A. Toropova, 2018, Chemical Physics Letters.

Comparison of QSPR Models Based on Hydrogen-Filled Graphs and on Graphs of Atomic Orbitals

I. Gutman, A. Toropova, A. Toropov, 2005 .

QSPR modeling of vitrification temperatures for polyarylene oxides

A. Toropov, I. N. Ruban, S. S. Rashidova, 2004 .

Development of the Latest Tools for Building up “Nano-QSAR”: Quantitative Features—Property/Activity Relationships (QFPRs/QFARs)

Jerzy Leszczynski, Andrey A. Toropov, Alla P. Toropova, 2016 .

The System of Self-Consistent Models: QSAR Analysis of Drug-Induced Liver Toxicity

E. Benfenati, A. Toropova, A. Toropov, 2023, Toxics.

Practical Aspects of Computational Chemistry IV

G. M. Zhidomirov, A. B. Zakharov, M. Shukla, 2016 .

A New Burr Formation Model for Orthogonal Cutting of Ductile Materials

Sung-Lim Ko, A. A. Toropov, J. M. Lee, 2006 .

Two-electron transition spectroscopy of shallow donors in bulk GaN

J. Bergman, P. Paskov, B. Monemar, 2007 .