Maximum Topological Distances Based Indices As Molecular Descriptors for QSPR: 2 - Application to Aromatic Hydrocarbons. - Eduardo A. Castro; Matías Tueros; Andrey A. Toropov (Comput. Chem., 2000)

Improved QSPR Analysis of Standard Entropy of Acyclic and Aromatic Compounds using Optimized Correlation Weights of Linear Graph Invariants. - Pablo Duchowicz; Eduardo A. Castro; Andrey A. Toropov (Comput. Chem., 2002)

Prediction of Aquatic Toxicity: Use of Optimization of Correlation Weights of Local Graph Invariants. - Andrey A. Toropov; T. Wayne Schultz (J. Chem. Inf. Comput. Sci., 2003)

QSPR Modeling of Lipid-Water Partition Coefficient by Optimization of Correlation Weights of Local Graph Invariants. - Andrey A. Toropov; Kunal Roy (J. Chem. Inf. Model., 2004)

QSPR modeling of the half-wave potentials of benzoxazines by optimal descriptors calculated with the SMILES. - Andrey A. Toropov; Karel Nesmerak Jr.; Ivan Raska Jr.; Karel Waisser; Karel Palat (Comput. Biol. Chem., 2006)

An Effective Visualization and Analysis Method for Edge Measurement. - Andrey A. Toropov (ICCSA (2), 2007)

SMILES as an alternative to the graph in QSAR modelling of bee toxicity. - Andrey A. Toropov; Emilio Benfenati (Comput. Biol. Chem., 2007)

Predicting water solubility and octanol water partition coefficient for carbon nanotubes based on the chiral vector. - Andrey A. Toropov; Danuta Leszczynska; Jerzy Leszczynski (Comput. Biol. Chem., 2007)

QSPR modeling of enthalpies of formation for organometallic compounds by SMART-based optimal descriptors. - Andrey A. Toropov; Alla P. Toropova; Emilio Benfenati; Alberto Manganaro (J. Comput. Chem., 2009)

SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations. - Andrey A. Toropov; Alla P. Toropova; Emilio Benfenati; Danuta Leszczynska; Jerzy Leszczynski (J. Comput. Chem., 2010)

CORAL: Quantitative structure-activity relationship models for estimating toxicity of organic compounds in rats. - Alla P. Toropova; Andrey A. Toropov; Emilio Benfenati; Giuseppina C. Gini; Danuta Leszczynska; Jerzy Leszczynski (J. Comput. Chem., 2011)

Coral: QSPR modeling of rate constants of reactions between organic aromatic pollutants and hydroxyl radical. - Andrey A. Toropov; Alla P. Toropova; Bakhtiyor F. Rasulev; Emilio Benfenati; Giuseppina C. Gini; Danuta Leszczynska; Jerzy Leszczynski (J. Comput. Chem., 2012)

Coral: QSAR models for acute toxicity in fathead minnow (Pimephales promelas). - Alla P. Toropova; Andrey A. Toropov; Anna Lombardo; Alessandra Roncaglioni; Emilio Benfenati; Giuseppina C. Gini (J. Comput. Chem., 2012)

Comprehension of drug toxicity: Software and databases. - Andrey A. Toropov; Alla P. Toropova; Ivan Raska Jr.; Danuta Leszczynska; Jerzy Leszczynski (Comput. Biol. Medicine, 2014)

QSAR modeling of the antimicrobial activity of peptides as a mathematical function of a sequence of amino acids. - Mariya A. Toropova; Aleksandar M. Veselinovic; Jovana B. Veselinovic; Dusica B. Stojanovic; Andrey A. Toropov (Comput. Biol. Chem., 2015)

Searching therapeutic agents for treatment of Alzheimer disease using the Monte Carlo method. - Mariya A. Toropova; Andrey A. Toropov; Ivan Raska Jr.; Mária Rasková (Comput. Biol. Medicine, 2015)

Prediction of antimicrobial activity of large pool of peptides using quasi-SMILES. - Alla P. Toropova; Andrey A. Toropov; Emilio Benfenati; Danuta Leszczynska; Jerzy Leszczynski (Biosyst., 2018)

CORAL: QSAR models for carcinogenicity of organic compounds for male and female rats. - Alla P. Toropova; Andrey A. Toropov (Comput. Biol. Chem., 2018)

"Ideal correlations" for biological activity of peptides. - Andrey A. Toropov; Alla P. Toropova; Danuta Leszczynska; Jerzy Leszczynski (Biosyst., 2019)

Application of quasi-SMILES to the model of gold-nanoparticles uptake in A549 cells. - Alla P. Toropova; Andrey A. Toropov; Danuta Leszczynska; Jerzy Leszczynski (Comput. Biol. Medicine, 2021)

The index of ideality of correlation improves the predictive potential of models of the antioxidant activity of tripeptides from frog skin (Litoria rubella). - Alla P. Toropova; Andrey A. Toropov; Alessandra Roncaglioni; Emilio Benfenati (Comput. Biol. Medicine, 2021)