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

Molecules (Basel, Switzerland), 2020-03, Vol.25 (6), p.1292

2020

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

The Science of the total environment, 2017-05, Vol.586, p.466-472

2017

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

Mutation research, 2017-07, Vol.819, p.31-37

2017

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

The Science of the total environment, 2022-06, Vol.823, p.153747-153747, Article 153747

2022

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QSPR/QSAR Analysis Using SMILES and Quasi-SMILES

1, 2023

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Correlation intensity index: Building up models for mutagenicity of silver nanoparticles

The Science of the total environment, 2020-10, Vol.737, p.139720-139720, Article 139720

2020

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The coefficient of conformism of a correlative prediction (CCCP): Building up reliable nano-QSPRs/QSARs for endpoints of nanoparticles in different experimental conditions encoded via quasi-SMILES

The Science of the total environment, 2024-06, Vol.927, p.172119-172119, Article 172119

2024

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

Chemosphere (Oxford), 2022-09, Vol.303 (Pt 2), p.135086-135086, Article 135086

2022

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

The Science of the total environment, 2021-06, Vol.772, p.145532, Article 145532

2021

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The Correlation Contradictions Index (CCI): Building up reliable models of mutagenic potential of silver nanoparticles under different conditions using quasi-SMILES

The Science of the total environment, 2019-09, Vol.681, p.102-109

2019

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Quasi-SMILES and nano-QFAR: United model for mutagenicity of fullerene and MWCNT under different conditions

Chemosphere (Oxford), 2015-11, Vol.139, p.18-22

2015

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Quasi-QSAR for mutagenic potential of multi-walled carbon-nanotubes

Chemosphere (Oxford), 2015-04, Vol.124, p.40-46

2015

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

Nanotoxicology, 2020-09, Vol.14 (8), p.1118-1126

2020

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Medicinal Chemistry and Computational Chemistry: Mutual Influence and Harmonization

Mini reviews in medicinal chemistry, 2020-01, Vol.20 (14), p.1320-1321

Toropova, Alla P.

2020

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

Chemosphere (Oxford), 2013-06, Vol.92 (1), p.31-37

2013

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In silico prediction of the mutagenicity of nitroaromatic compounds using correlation weights of fragments of local symmetry

Mutation research. Genetic toxicology and environmental mutagenesis, 2023-10, Vol.891, p.503684-503684, Article 503684

2023

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Optimal descriptor as a translator of eclectic information into the prediction of membrane damage by means of various TiO2 nanoparticles

Chemosphere (Oxford), 2013-11, Vol.93 (10), p.2650-2655

2013

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Using the Correlation Intensity Index to Build a Model of Cardiotoxicity of Piperidine Derivatives

Molecules (Basel, Switzerland), 2023-09, Vol.28 (18), p.6587

2023

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

The Science of the total environment, 2020-02, Vol.704, p.135302, Article 135302

2020

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

Amino acids, 2023-10, Vol.55 (10), p.1437-1445

2023

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Hybrid optimal descriptors as a tool to predict skin sensitization in accordance to OECD principles

Toxicology letters, 2017-06, Vol.275, p.57-66

2017

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

Toxicology letters, 2021-04, Vol.340, p.133-140

2021

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Predicting Cytotoxicity of 2-Phenylindole Derivatives Against Breast Cancer Cells Using Index of Ideality of Correlation

Anticancer research, 2018-11, Vol.38 (11), p.6189-6194

2018

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Does the Index of Ideality of Correlation Detect the Better Model Correctly?

Molecular informatics, 2019-08, Vol.38 (8-9), p.n/a

2019

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

Toxicology in vitro, 2023-09, Vol.91, p.105629-105629, Article 105629

2023

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

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

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

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

QSPR/QSAR Analysis Using SMILES and Quasi-SMILES

Correlation intensity index: Building up models for mutagenicity of silver nanoparticles

The coefficient of conformism of a correlative prediction (CCCP): Building up reliable nano-QSPRs/QSARs for endpoints of nanoparticles in different experimental conditions encoded via quasi-SMILES

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

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

The Correlation Contradictions Index (CCI): Building up reliable models of mutagenic potential of silver nanoparticles under different conditions using quasi-SMILES

Quasi-SMILES and nano-QFAR: United model for mutagenicity of fullerene and MWCNT under different conditions

Quasi-QSAR for mutagenic potential of multi-walled carbon-nanotubes

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

Medicinal Chemistry and Computational Chemistry: Mutual Influence and Harmonization

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

In silico prediction of the mutagenicity of nitroaromatic compounds using correlation weights of fragments of local symmetry

Optimal descriptor as a translator of eclectic information into the prediction of membrane damage by means of various TiO2 nanoparticles

Using the Correlation Intensity Index to Build a Model of Cardiotoxicity of Piperidine Derivatives

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

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

Hybrid optimal descriptors as a tool to predict skin sensitization in accordance to OECD principles

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

Predicting Cytotoxicity of 2-Phenylindole Derivatives Against Breast Cancer Cells Using Index of Ideality of Correlation

Does the Index of Ideality of Correlation Detect the Better Model Correctly?

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

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