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Alla P. Toropova
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2020 – today
- 2021
- [j11]Alla P. Toropova
, Andrey A. Toropov
, Alessandra Roncaglioni, Emilio Benfenati:
The index of ideality of correlation improves the predictive potential of models of the antioxidant activity of tripeptides from frog skin (Litoria rubella). Comput. Biol. Medicine 133: 104370 (2021) - [j10]Alla P. Toropova
, Andrey A. Toropov
, Danuta Leszczynska
, Jerzy Leszczynski:
Application of quasi-SMILES to the model of gold-nanoparticles uptake in A549 cells. Comput. Biol. Medicine 136: 104720 (2021)
2010 – 2019
- 2019
- [j9]Andrey A. Toropov
, Alla P. Toropova
, Danuta Leszczynska, Jerzy Leszczynski:
"Ideal correlations" for biological activity of peptides. Biosyst. 181: 51-57 (2019) - 2018
- [j8]Alla P. Toropova
, Andrey A. Toropov
, Emilio Benfenati
, Danuta Leszczynska, Jerzy Leszczynski
:
Prediction of antimicrobial activity of large pool of peptides using quasi-SMILES. Biosyst. 169-170: 5-12 (2018) - [j7]Alla P. Toropova
, Andrey A. Toropov
:
CORAL: QSAR models for carcinogenicity of organic compounds for male and female rats. Comput. Biol. Chem. 72: 26-32 (2018) - 2014
- [j6]Andrey A. Toropov
, Alla P. Toropova
, Ivan Raska Jr.
, Danuta Leszczynska, Jerzy Leszczynski:
Comprehension of drug toxicity: Software and databases. Comput. Biol. Medicine 45: 20-25 (2014) - 2012
- [j5]Alla P. Toropova
, Andrey A. Toropov
, Anna Lombardo
, Alessandra Roncaglioni
, Emilio Benfenati, Giuseppina C. Gini:
Coral: QSAR models for acute toxicity in fathead minnow (Pimephales promelas). J. Comput. Chem. 33(12): 1218-1223 (2012) - [j4]Andrey A. Toropov
, Alla P. Toropova
, Bakhtiyor F. Rasulev
, Emilio Benfenati, Giuseppina C. Gini, Danuta Leszczynska, Jerzy Leszczynski:
Coral: QSPR modeling of rate constants of reactions between organic aromatic pollutants and hydroxyl radical. J. Comput. Chem. 33(23): 1902-1906 (2012) - 2011
- [j3]Alla P. Toropova
, Andrey A. Toropov
, Emilio Benfenati, Giuseppina C. Gini
, Danuta Leszczynska, Jerzy Leszczynski:
CORAL: Quantitative structure-activity relationship models for estimating toxicity of organic compounds in rats. J. Comput. Chem. 32(12): 2727-2733 (2011) - 2010
- [j2]Andrey A. Toropov
, Alla P. Toropova
, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski:
SMILES-based optimal descriptors: QSAR analysis of fullerene-based HIV-1 PR inhibitors by means of balance of correlations. J. Comput. Chem. 31(2): 381-392 (2010)
2000 – 2009
- 2009
- [j1]Andrey A. Toropov
, Alla P. Toropova
, Emilio Benfenati, Alberto Manganaro
:
QSPR modeling of enthalpies of formation for organometallic compounds by SMART-based optimal descriptors. J. Comput. Chem. 30(15): 2576-2582 (2009)
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