Zobrazeno 1 - 10 of 18 pro vyhledávání: '"Alla Toropova"'
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Quasi-SMILES as a basis to build up models of endpoints for nanomaterials
Autor: Andrey A. Toropov, Alla Toropova
Publikováno v: Environmental technology.
Simplified molecular input-line entry system (SMILES) is a format for representing of the molecular structure. Quasi-SMILES is an extended format for representing molecular structure data and some eclectic data, which in principle could be applied to
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::7b7486e59d5582ba14ba05fa0bb5311a
https://pubmed.ncbi.nlm.nih.gov/35748421
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3
Applying the Monte Carlo technique to build up models of glass transition temperatures of diverse polymers
Autor: Andrey A. Toropov, Nurad Bozorov, Ilnar Nurgaliev, Valentin Kudyshkin, Sayora Rashidova, Alla Toropova
Publikováno v: Structural Chemistry. 31:1739-1743
Optimal descriptors calculated with SMILES represented a structure of monomer units applied to build up a model of glass transition temperatures of diverse polymers. Quantitative structure-property relationships (QSPRs) were established for the above
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::23f684362cbdd551f936e43333214577
https://doi.org/10.1007/s11224-020-01588-8
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4
Nanomaterials: Quasi-SMILES as a flexible basis for regulation and environmental risk assessment
Autor: Andrey A. Toropov, Alla Toropova
Publikováno v: Science of The Total Environment. 823:153747
Basic principles and problems of the systematization of data on nanomaterials are discussed. The eclectic character of nanomaterials is defined as the key difference between nanomaterials and traditional substances. The quasi-SMILES technique is desc
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::be9a4496645bfea8d5f72b63f201e216
https://doi.org/10.1016/j.scitotenv.2022.153747
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6
Integrated
Autor: Domenico, Gadaleta, Marco, Marzo, Andrey, Toropov, Alla, Toropova, Giovanna J, Lavado, Sylvia E, Escher, Jean Lou C M, Dorne, Emilio, Benfenati
Publikováno v: Chemical research in toxicology. 34(2)
Repeated-dose toxicity (RDT) is a critical endpoint for hazard characterization of chemicals and is assessed to derive safe levels of exposure for human health. Here we present the first attempt to model simultaneously no-observed-(adverse)-effect le
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=pmid________::9b2423a2e2e1b9a0694bf4ae82271d2b
https://pubmed.ncbi.nlm.nih.gov/32664725
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10
The system of self-consistent models based on quasi-SMILES as a tool to predict the potential of nano-inhibitors of human lung carcinoma cell line A549 for different experimental conditions
Autor: Andrey A. Toropov, João Meneses, Alla Toropova, Ernesto Alfaro-Moreno
Publikováno v: Drug and Chemical Toxicology
The different features of the impact of nanoparticles on cells, such as the structure of the core, presence/absence of doping, quality of surface, diameter, and dose, were used to define quasi-SMILES, a line of symbols encoded the above physicochemic
Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a8de0ce556913e9eeb683dfc529dcadd
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