Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati… : rechercher sur Z-Library

Toropov, Andrey A., Toropova, Alla P., Benfenati, Emilio, Diomede, Luisa, Salmona, Mario

Année:

2013

Langue:

english

Fichier:

PDF, 511 KB

english, 2013

Use of quasi-SMILES to model biological activity of “micelle–polymer” samples

Journal:

Toropova, Alla P., Toropov, Andrey A., Benfenati, Emilio, Leszczynska, Danuta, Leszczynski, Jerzy

Année:

2018

Langue:

english

Fichier:

PDF, 1.30 MB

english, 2018

Prediction of antimicrobial activity of large pool of peptides using quasi-SMILES

Journal:

Biosystems

Année:

2018

Langue:

english

Fichier:

PDF, 1.11 MB

english, 2018

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

Leone, Caterina, Bertuzzi, Elia E., Toropova, Alla P., Toropov, Andrey A., Benfenati, Emilio

Journal:

Toropova, Alla P., Toropov, Andrey A., Benfenati, Emilio, Castiglioni, Sara, Bagnati, Renzo, Passoni, Alice, Zuccato, Ettore, Fanelli, Roberto

Année:

2018

Langue:

english

Fichier:

PDF, 1.11 MB

english, 2018

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

Journal:

Process Safety and Environmental Protection

Année:

2018

Langue:

english

Fichier:

PDF, 487 KB

english, 2018

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

Gadaleta, Domenico, Marzo, Marco, Toropov, Andrey Andreevich, Toropova, Alla, Lavado, Giovanna Janet, Escher, Sylvia, Dorne, Jean-Lou, Benfenati, Emilio

Journal:

Chemical Research in Toxicology

Année:

2020

Fichier:

PDF, 573 KB

2020

InChI-based optimal descriptors: QSAR analysis of fullerene[C60]-based HIV-1 PR inhibitors by correlation balance

Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski

Journal:

European Journal of Medicinal Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 190 KB

english, 2010

Additive InChI-based optimal descriptors: QSPR modeling of fullereneC60solubility in organic solvents

Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski

Journal:

Journal of Mathematical Chemistry

Année:

2009

Langue:

english

Fichier:

PDF, 204 KB

english, 2009

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

Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski

Journal:

Journal of Mathematical Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 179 KB

english, 2010

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

Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Danuta Leszczynska, Jerzy Leszczynski

Journal:

Journal of Mathematical Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 405 KB

english, 2010

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

Andrey A. Toropov, Alla P. Toropova, Rodolfo Gonella Diaza, Emilio Benfenati, Giuseppina Gini

Journal:

Andrey A. Toropov, Alla P. Toropova, Ivan Raska, Emilio Benfenati

Année:

2012

Langue:

english

Fichier:

PDF, 376 KB

english, 2012

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

Journal:

European Journal of Medicinal Chemistry

Année:

2010

Langue:

english

Fichier:

PDF, 272 KB

english, 2010

Erratum

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

Journal:

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

Année:

2009

Langue:

english

Fichier:

PDF, 60 KB

english, 2009

QSAR Modelling for Mutagenic Potency of Heteroaromatic Amines by Optimal SMILES-based Descriptors

Journal:

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

Année:

2009

Langue:

english

Fichier:

PDF, 202 KB

english, 2009

Simplified Molecular Input Line Entry System-Based Optimal Descriptors: Quantitative Structure–Activity Relationship Modeling Mutagenicity of Nitrated Polycyclic Aromatic Hydrocarbons

Journal:

Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Giuseppina Gini

Année:

2009

Langue:

english

Fichier:

PDF, 295 KB

english, 2009

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

Journal:

Emilio Benfenati, Andrey A. Toropov, Alla P. Toropova, Alberto Manganaro, Rodolfo Gonella Diaza

Année:

2011

Langue:

english

Fichier:

PDF, 312 KB

english, 2011

coral Software: QSAR for Anticancer Agents

Journal:

Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Giuseppina Gini

Année:

2011

Langue:

english

Fichier:

PDF, 194 KB

english, 2011

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

Journal:

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

Année:

2012

Langue:

english

Fichier:

PDF, 264 KB

english, 2012

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

Journal:

Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Giuseppina Gini

Année:

2009

Langue:

english

Fichier:

PDF, 149 KB

english, 2009

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

Journal:

Alla P. Toropova, Andrey A. Toropov, Rodolfo Gonella Diaza, Emilio Benfenati, Guesippina Gini

Année:

2011

Langue:

english

Fichier:

PDF, 444 KB

english, 2011

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

Journal:

Alla. P. Toropova, Andrey A. Toropov, Emilio Benfenati, Giuseppina Gini, Danuta Leszczynska, Jerzy Leszczynski

Année:

2011

Langue:

english

Fichier:

PDF, 1.29 MB

english, 2011

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

Journal:

Andrey A. Toropov, Alla P. Toropova, Anna Lombardo, Alessandra Roncaglioni, Nicoletta De Brita, Giovanni Stella, Emilio Benfenati

Année:

2011

Langue:

english

Fichier:

PDF, 576 KB

english, 2011

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

Journal:

Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Giuseppina Gini, Danuta Leszczynska, Jerzy Leszczynski

Année:

2012

Langue:

english

Fichier:

PDF, 557 KB

english, 2012

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

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 397 KB

english, 2012

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

Andrey A. Toropov, Alla P. Toropova, Ivan Raska Jr., Emilio Benfenati, Giuseppina Gini

Journal:

Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Giuseppina Gini, Danuta Leszczynska, Jerzy Leszczynski

Année:

2013

Langue:

english

Fichier:

PDF, 1.00 MB

english, 2013

CORAL: Quantitative models for estimating bioconcentration factor of organic compounds

Journal:

Chemometrics and Intelligent Laboratory Systems

Année:

2012

Langue:

english

Fichier:

PDF, 164 KB

english, 2012

CORAL: Models of toxicity of binary mixtures

Alla P. Toropova, Andrey A. Toropov, Emilio Benfenati, Giuseppina Gini, Danuta Leszczynska, Jerzy Leszczynski

Journal:

Chemometrics and Intelligent Laboratory Systems

Année:

2012

Langue:

english

Fichier:

PDF, 1.12 MB

english, 2012

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

Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Giuseppina Gini, Tomasz Puzyn, Danuta Leszczynska, Jerzy Leszczynski

Journal:

Andrey A. Toropov, Alla P. Toropova, Emilio Benfenati, Giuseppina Gini, Danuta Leszczynska, Jerzy Leszczynski

Année:

2012

Langue:

english

Fichier:

PDF, 402 KB

english, 2012

CORAL: QSPR model of water solubility based on local and global SMILES attributes

Journal:

Toropov, Andrey A., Toropova, Alla P., Puzyn, Tomasz, Benfenati, Emilio, Gini, Giuseppina, Leszczynska, Danuta, Leszczynski, Jerzy

Année:

2013

Langue:

english

Fichier:

PDF, 438 KB

english, 2013

QSAR as a random event: Modeling of nanoparticles uptake in PaCa2 cancer cells

Journal:

Toropov, Andrey A., Toropova, Alla P., Benfenati, Emilio, Gini, Giuseppina, Leszczynska, Danuta, Leszczynski, Jerzy, Nucci, Gilberto De

Année:

2013

Langue:

english

Fichier:

PDF, 1.03 MB

english, 2013

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

Journal:

Biochemical and Biophysical Research Communications

Année:

2013

Langue:

english

Fichier:

PDF, 970 KB

english, 2013

In silico methods to predict drug toxicity

Roncaglioni, Alessandra, Toropov, Andrey A, Toropova, Alla P, Benfenati, Emilio

Journal:

Current Opinion in Pharmacology

Année:

2013

Langue:

english

Fichier:

PDF, 417 KB

english, 2013

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

Toropov, Andrey A., Toropova, Alla P., Raska, Ivan, Benfenati, Emilio, Gini, Giuseppina

Journal:

Toropova, Alla P., Toropov, Andrey A., Benfenati, Emilio, Korenstein, Rafi

Année:

2012

Langue:

english

Fichier:

PDF, 435 KB

english, 2012

QSAR model for cytotoxicity of SiO2nanoparticles on human lung fibroblasts

Journal:

Journal of Nanoparticle Research

Année:

2014

Langue:

english

Fichier:

PDF, 231 KB

english, 2014

Building up QSAR model for toxicity of psychotropic drugs by the Monte Carlo method

Gissi, Andrea, Toropov, Andrey A., Toropova, Alla P., Nicolotti, Orazio, Carotti, Angelo, Benfenati, Emilio

Journal:

Toropova, Alla P., Toropov, Andrey A., Benfenati, Emilio, Puzyn, Tomasz, Leszczynska, Danuta, Leszczynski, Jerzy

Année:

2014

Langue:

english

Fichier:

PDF, 346 KB

english, 2014

Optimal descriptor as a translator of eclectic information into the prediction of membrane damage: The case of a group of ZnO and TiO2 nanoparticles

Journal:

Ecotoxicology and Environmental Safety

Année:

2014

Langue:

english

Fichier:

PDF, 531 KB

english, 2014

Optimal nano-descriptors as translators of eclectic data into prediction of the cell membrane damage by means of nano metal-oxides

Toropova, Alla P., Toropov, Andrey A., Benfenati, Emilio, Korenstein, Rafi, Leszczynska, Danuta, Leszczynski, Jerzy

Journal:

Environmental Science and Pollution Research

Année:

2015

Langue:

english

Fichier:

PDF, 761 KB

english, 2015

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

Toropov, Andrey A., Toropova, Alla P., Pizzo, Fabiola, Lombardo, Anna, Gadaleta, Domenico, Benfenati, Emilio

Journal:

Molecular Diversity

Année:

2015

Langue:

english

Fichier:

PDF, 1.13 MB

english, 2015

CORAL: Model for octanol/water partition coefficient

Toropov, Andrey A., Toropova, Alla P., Cappelli, Claudia Ileana, Benfenati, Emilio

Journal:

Fluid Phase Equilibria

Année:

2015

Langue:

english

Fichier:

PDF, 1.18 MB

english, 2015

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

Toropova, Alla P., Toropov, Andrey A., Benfenati, Emilio, Leszczynska, Danuta, Leszczynski, Jerzy

Journal:

Bioorganic & Medicinal Chemistry

Année:

2015

Langue:

english

Fichier:

PDF, 1.17 MB

english, 2015

Additive SMILES-Based Carcinogenicity Models: Probabilistic Principles in the Search for Robust Predictions

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

Journal:

International Journal of Molecular Sciences

Année:

2009

Langue:

english

Fichier:

PDF, 192 KB

english, 2009

Nano-QSAR: Model of mutagenicity of fullerene as a mathematical function of different conditions

Toropova, Alla P., Toropov, Andrey A., Veselinović, Aleksandar M., Veselinović, Jovana B., Benfenati, Emilio, Leszczynska, Danuta, Leszczynski, Jerzy

Journal:

Ecotoxicology and Environmental Safety

Année:

2016

Langue:

english

Fichier:

PDF, 295 KB

english, 2016

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

Manganelli, Serena, Leone, Caterina, Toropov, Andrey A., Toropova, Alla P., Benfenati, Emilio

Journal: