A detailed structural study of cytotoxicity effect of ionic liquids on the leukemia rat cell line IPC-81 by three dimensional quantitative structure toxicity relationship.
Sign Up to like & getrecommendations! Published in 2018 at "Ecotoxicology and environmental safety"
DOI: 10.1016/j.ecoenv.2018.04.040
Abstract: In the present study, a very thorough and in-depth three-dimensional quantitative structure-toxicity relationship (3D-QSTR) analysis has been implemented to make a correlation between the structural information of the ionic liquids (ILs) and their cytotoxicity towards… read more here.
Keywords: three dimensional; quantitative structure; structure toxicity; toxicity relationship ... See more keywords
In vivo toxicity of nitroaromatic compounds to rats: QSTR modelling and interspecies toxicity relationship with mouse.
Sign Up to like & getrecommendations! Published in 2020 at "Journal of hazardous materials"
DOI: 10.1016/j.jhazmat.2020.122981
Abstract: Nitroaromatic compounds (NACs) in the environment can cause serious public health and environmental problems due to their potential toxicity. This study established quantitative structure-toxicity relationship (QSTR) models for the acute oral toxicity of NACs towards… read more here.
Keywords: nitroaromatic compounds; toxicity; qstr modelling; toxicity relationship ... See more keywords
Development of reliable quantitative structure–toxicity relationship models for toxicity prediction of benzene derivatives using semiempirical descriptors
Sign Up to like & getrecommendations! Published in 2022 at "Toxicology Mechanisms and Methods"
DOI: 10.1080/15376516.2022.2118092
Abstract: Abstract The Health and environmental hazards of benzene and nitrobenzene (NB) derivatives have remained a topic of interest of researchers. In silico methods for prediction of toxicity of chemicals have proved their worth in accurate… read more here.
Keywords: quantitative structure; toxicity; toxicity relationship; benzene derivatives ... See more keywords
Quantitative Structure–Toxicity Relationship in Bioactive Molecules from a Conceptual DFT Perspective
Sign Up to like & getrecommendations! Published in 2022 at "Pharmaceuticals"
DOI: 10.3390/ph15111383
Abstract: The preclinical drug discovery stage often requires a large amount of costly and time-consuming experiments using huge sets of chemical compounds. In the last few decades, this process has undergone significant improvements by the introduction… read more here.
Keywords: structure toxicity; toxicity relationship; quantitative structure; structure ... See more keywords
Theoretical Studies on the Quantitative Structure–Toxicity Relationship of Polychlorinated Biphenyl Congeners Reveal High Affinity Binding to Multiple Human Nuclear Receptors
Sign Up to like & getrecommendations! Published in 2024 at "Toxics"
DOI: 10.3390/toxics12010049
Abstract: Polychlorinated biphenyls (PCBs) are organic chemicals consisting of a biphenyl structure substituted with one to ten chlorine atoms, with 209 congeners depending on the number and position of the chlorine atoms. PCBs are widely known… read more here.
Keywords: toxicity relationship; structure; nuclear receptors; structure toxicity ... See more keywords