Structural alerts for genotoxicity
WebThe assignments of 'structural alerts' by Ashby and associates as predictors of genotoxic carcinogenicity were used as the entries for CASE, an artificial intelligence-based … WebTable B-2 Tools Used to Identify Structural Alerts and Predictions for Genotoxicity and Carcinogenicity. Name Description a; OECD QSAR Toolbox (Version 4.1) Seven OECD …
Structural alerts for genotoxicity
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WebDec 22, 2016 · Arylboronic acid genotoxicity.pdf. ... Boronic acids predictivetools Alert history Structuralalert arylboronicacids drafted datafrom O’Donovan et al datashare group Widescope narrowdue datafrom targeted-testingcollaboration Scoperefined excludecompounds deactivatingfeatures (structural, electronic) bis-boronicacids, based … WebTable B-2 Tools Used to Identify Structural Alerts and Predictions for Genotoxicity and Carcinogenicity. Name Description a; OECD QSAR Toolbox (Version 4.1) Seven OECD QSAR Toolbox profiling methods were used, including: ...
Webstructural alert. Parts of organic molecules which are believed to be responsible for adverse effects (e.g. genotoxicity) and can be used to predict the toxicity of similar compounds. Foodborne zoonotic diseases. Pesticides. Qualified presumption of safety (QPS) Glossary. WebFeb 10, 2016 · The structural alerts approach only evaluates functional groups and the correlative QSAR-based approach mostly emphasizes on side chain or functional group analysis of an analog series, core structures or scaffolds are not the focus in both approaches. ... Reddy PS, Reena. K. Review on Genotoxicity, its Molecular Mechanisms …
WebNov 1, 2024 · Combinations of sensitive structural alerts minimize false negative predictions for all genotoxicity endpoints and can single out chemicals for which … WebNational Center for Biotechnology Information
WebApr 8, 2024 · The performance of individual QSAR tools and alerts was evaluated against the IATA and newly definedcut-off-based genotoxicity classifications. The balanced accuracies ranged from 64-80%. Finally, a naïve Bayes consensus model was developed using two combinations of QSAR tools and alert predictions.
http://pubsapp.acs.org/cen/coverstory/88/8839cover.html robert m hillasWebCombinations of sensitive structural alerts minimize false negative predictions for all genotoxicity endpoints and can single out chemicals for which experimentation can be … robert m hirsch arbitratorWebNov 1, 2024 · Herein we describe the progress made towards development of mechanistically based SARs, identifying the structural features that most affect carcinogenic potency. Specifically: 1) α-carbon substitution, and 2) electron-withdrawing groups on nitrosamine carcinogenicity potency and mutagenicity prevalence. robert m howellWebMar 5, 2024 · Structural alerts 1. Introduction Genotoxicity is the ability of an agent to cause DNA damage as an alteration in the structure or information content of genetic material in cells, including those that are permanently transmissible ( EFSA, 2011; Fioravanzo et al., 2012; Seukep et al., 2014; Pellevoisin et al., 2024 ). robert m keefer obituaryWebMar 1, 2016 · One of the crucial events that trigger genotoxic and sometimes carcinogenic effects is the forming of adducts between chemical compounds and nucleic acids and … robert m highWebNov 1, 2024 · Since structural alerts may generate false positives, cautious follow-up of positives is recommended (with e.g., statistically based QSARs, read across of similar chemicals, expert judgement, and experimentation when necessary). ... Genotoxicity assessment of chemicals has a crucial role in most regulations. Usually, a battery of … robert m howell mdWebJul 1, 1990 · Abstract The assignments of ‘structural alerts’ by Ashby and associates as predictors of genotoxic carcinogenicity were used as the entries for CASE, an artificial intelligence-based structure–activity relational method. robert m hoffman