Predicting acute contact toxicity of organic binary mixtures in honey bees (A. mellifera) through innovative QSAR models
E Carnesecchi, AA Toropov, AP Toropova… - Science of the Total …, 2020 - Elsevier
Pollinators such as honey bees are of considerable importance, because of the crucial
pollination services they provide for food crops and wild plants. Since bees are exposed to a …
pollination services they provide for food crops and wild plants. Since bees are exposed to a …
The study of the index of ideality of correlation as a new criterion of predictive potential of QSPR/QSAR-models
AA Toropov, I Raška Jr, AP Toropova… - Science of the Total …, 2019 - Elsevier
Acetylcholinesterase (AChE) inhibitors, dihydrofolate reductase inhibitors (DHFR), Toxicity
in Tetrahymena pyriformis (TP), Acute Toxicity in fathead minnow (TFat), Water solubility …
in Tetrahymena pyriformis (TP), Acute Toxicity in fathead minnow (TFat), Water solubility …
Quantitative structure–activity relationship (QSAR) models for color and COD removal for some dyes subjected to electrochemical oxidation
KS Hirpara, UD Patel - Environmental Technology, 2023 - Taylor & Francis
Electrochemical oxidation is an efficient method for the destruction of dyes in wastewater
streams. The experimental conditions during electrochemical oxidation (EO) and molecular …
streams. The experimental conditions during electrochemical oxidation (EO) and molecular …
The Monte Carlo method as a tool to build up predictive QSPR/QSAR
AA Toropov, AP Toropova - Current Computer-Aided Drug …, 2020 - ingentaconnect.com
Background: The Monte Carlo method has a wide application in various scientific
researches. For the development of predictive models in a form of the quantitative structure …
researches. For the development of predictive models in a form of the quantitative structure …
The index of ideality of correlation: models for flammability of binary liquid mixtures
Data on flammability of binary liquid mixtures are necessary to rational classification of
different binary mixtures of liquids. List of corresponding binary mixtures, which have …
different binary mixtures of liquids. List of corresponding binary mixtures, which have …
A new approach to model isobaric heat capacity and density of some nitride-based nanofluids using Monte Carlo method
K Jafari, MH Fatemi - Advanced Powder Technology, 2020 - Elsevier
A serious gap in the field of nanofluids' modeling is disregarding the effect of molecular
structure that must be highlighted. For the first time, the Monte Carlo method was utilized to …
structure that must be highlighted. For the first time, the Monte Carlo method was utilized to …
Semi-correlations combined with the index of ideality of correlation: a tool to build up model of mutagenic potential
AP Toropova, AA Toropov, AM Veselinović… - Molecular and Cellular …, 2019 - Springer
Mutagenicity is the ability of a substance to induce mutations. This hazardous ability of a
substance is decisive from point of view of ecotoxicology. The number of substances, which …
substance is decisive from point of view of ecotoxicology. The number of substances, which …
Application of the monte carlo method for the prediction of behavior of peptides
AP Toropova, AA Toropov - Current Protein and Peptide …, 2019 - ingentaconnect.com
Prediction of physicochemical and biochemical behavior of peptides is an important and
attractive task of the modern natural sciences, since these substances have a key role in life …
attractive task of the modern natural sciences, since these substances have a key role in life …
Development of quantitative structure-property relationship model for predicting the field sampling rate (Rs) of Chemcatcher passive sampler
Y Wang, H Liu, X Yang - Environmental Science and Pollution Research, 2020 - Springer
Passive sampling technology has been considered as a promising tool to measure the
concentration of environmental contaminants. With this technology, sampling rate (R s) is an …
concentration of environmental contaminants. With this technology, sampling rate (R s) is an …
SMILES and Quasi-SMILES Descriptors in QSAR/QSPR Modeling of Diverse Materials Properties in Safety and Environment Application
A brief summary of QSAR/QSPR methodology, together with an explanation of the approach
using SMILES and quasi-SMILES descriptors to study diverse hazardous characteristics of …
using SMILES and quasi-SMILES descriptors to study diverse hazardous characteristics of …