Alla P. Toropova

12 papers Journal 12
YearRankTypeTitle / Venue / Authors
2025 J jnl
Simulation peptide toxicity using the fragments of local symmetry in amino acid sequences.
Biosyst.
Andrey A. Toropov, Alla P. Toropova, Valentin O. Kudyshkin, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski
2021 J jnl
Application of quasi-SMILES to the model of gold-nanoparticles uptake in A549 cells.
Comput. Biol. Medicine
Alla P. Toropova, Andrey A. Toropov, Danuta Leszczynska, Jerzy Leszczynski
2021 J jnl
The index of ideality of correlation improves the predictive potential of models of the antioxidant activity of tripeptides from frog skin (
Comput. Biol. Medicine
Alla P. Toropova, Andrey A. Toropov, Alessandra Roncaglioni, Emilio Benfenati
2019 J jnl
"Ideal correlations" for biological activity of peptides.
Biosyst.
Andrey A. Toropov, Alla P. Toropova, Danuta Leszczynska, Jerzy Leszczynski
2018 J jnl
CORAL: QSAR models for carcinogenicity of organic compounds for male and female rats.
Comput. Biol. Chem.
Alla P. Toropova, Andrey A. Toropov
2018 J jnl
Prediction of antimicrobial activity of large pool of peptides using quasi-SMILES.
Biosyst.
Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski
2014 J jnl
Comprehension of drug toxicity: Software and databases.
Comput. Biol. Medicine
Andrey A. Toropov, Alla P. Toropova, Ivan Raska Jr., Danuta Leszczynska, Jerzy Leszczynski
2012 J jnl
Coral: QSAR models for acute toxicity in fathead minnow (
J. Comput. Chem.
Alla P. Toropova, Andrey A. Toropov, Anna Lombardo, Alessandra Roncaglioni, Emilio Benfenati, Giuseppina C. Gini
2012 J jnl
Coral: QSPR modeling of rate constants of reactions between organic aromatic pollutants and hydroxyl radical.
J. Comput. Chem.
Andrey A. Toropov, Alla P. Toropova, Bakhtiyor F. Rasulev, Emilio Benfenati, Giuseppina C. Gini, Danuta Leszczynska, Jerzy Leszczynski
2011 J jnl
CORAL: Quantitative structure-activity relationship models for estimating toxicity of organic compounds in rats.
J. Comput. Chem.
Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Giuseppina C. Gini, Danuta Leszczynska, Jerzy Leszczynski
2010 J jnl
SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations.
J. Comput. Chem.
Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski
2009 J jnl
QSPR modeling of enthalpies of formation for organometallic compounds by SMART-based optimal descriptors.
J. Comput. Chem.
Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Alberto Manganaro