FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2890765209> ?p ?o ?g. }

• W2890765209 endingPage "82" @default.
• W2890765209 startingPage "67" @default.
• W2890765209 abstract "(Quantitative) structure–activity relationship or (Q)SAR predictions of DNA-reactive mutagenicity are important to support both the design of new chemicals and the assessment of impurities, degradants, metabolites, extractables and leachables, as well as existing chemicals. Aromatic N-oxides represent a class of compounds that are often considered alerting for mutagenicity yet the scientific rationale of this structural alert is not clear and has been questioned. Because aromatic N-oxide-containing compounds may be encountered as impurities, degradants and metabolites, it is important to accurately predict mutagenicity of this chemical class. This article analysed a series of publicly available aromatic N-oxide data in search of supporting information. The article also used a previously developed structure–activity relationship (SAR) fingerprint methodology where a series of aromatic N-oxide substructures was generated and matched against public and proprietary databases, including pharmaceutical data. An assessment of the number of mutagenic and non-mutagenic compounds matching each substructure across all sources was used to understand whether the general class or any specific subclasses appear to lead to mutagenicity. This analysis resulted in a downgrade of the general aromatic N-oxide alert. However, it was determined there were enough public and proprietary data to assign the quindioxin and related chemicals as well as benzo[c][1,2,5]oxadiazole 1-oxide subclasses as alerts. The overall results of this analysis were incorporated into Leadscope’s expert-rule-based model to enhance its predictive accuracy." @default.
• W2890765209 created "2018-09-27" @default.
• W2890765209 creator A5003580009 @default.
• W2890765209 creator A5015549345 @default.
• W2890765209 creator A5021553212 @default.
• W2890765209 creator A5022436392 @default.
• W2890765209 creator A5024946238 @default.
• W2890765209 creator A5025058042 @default.
• W2890765209 creator A5027354226 @default.
• W2890765209 creator A5028672998 @default.
• W2890765209 creator A5031085910 @default.
• W2890765209 creator A5031891942 @default.
• W2890765209 creator A5034271974 @default.
• W2890765209 creator A5041723900 @default.
• W2890765209 creator A5043728109 @default.
• W2890765209 creator A5051478948 @default.
• W2890765209 creator A5054201117 @default.
• W2890765209 creator A5058700698 @default.
• W2890765209 creator A5061930632 @default.
• W2890765209 creator A5064095792 @default.
• W2890765209 creator A5074991533 @default.
• W2890765209 creator A5082394105 @default.
• W2890765209 creator A5084436170 @default.
• W2890765209 creator A5089326676 @default.
• W2890765209 creator A5089626104 @default.
• W2890765209 date "2018-09-05" @default.
• W2890765209 modified "2023-10-03" @default.
• W2890765209 title "Extending (Q)SARs to incorporate proprietary knowledge for regulatory purposes: is aromatic<i>N</i>-oxide a structural alert for predicting DNA-reactive mutagenicity?*" @default.
• W2890765209 cites W1076385124 @default.
• W2890765209 cites W1510695414 @default.
• W2890765209 cites W1570912112 @default.
• W2890765209 cites W1919107299 @default.
• W2890765209 cites W1964222690 @default.
• W2890765209 cites W1964995444 @default.
• W2890765209 cites W1976179991 @default.
• W2890765209 cites W1982916202 @default.
• W2890765209 cites W1983404175 @default.
• W2890765209 cites W1986284826 @default.
• W2890765209 cites W1990877564 @default.
• W2890765209 cites W1992037169 @default.
• W2890765209 cites W1996830477 @default.
• W2890765209 cites W2003362088 @default.
• W2890765209 cites W2004365852 @default.
• W2890765209 cites W2014433035 @default.
• W2890765209 cites W2022592656 @default.
• W2890765209 cites W2039420977 @default.
• W2890765209 cites W2040122749 @default.
• W2890765209 cites W2053270210 @default.
• W2890765209 cites W2065026809 @default.
• W2890765209 cites W2074153535 @default.
• W2890765209 cites W2088784782 @default.
• W2890765209 cites W2088865995 @default.
• W2890765209 cites W2091691135 @default.
• W2890765209 cites W2096525273 @default.
• W2890765209 cites W2108643067 @default.
• W2890765209 cites W2116438644 @default.
• W2890765209 cites W2117856769 @default.
• W2890765209 cites W2118633304 @default.
• W2890765209 cites W2159401213 @default.
• W2890765209 cites W2170785473 @default.
• W2890765209 cites W2186188114 @default.
• W2890765209 cites W2257011728 @default.
• W2890765209 cites W2260822508 @default.
• W2890765209 cites W2318750068 @default.
• W2890765209 cites W2328036388 @default.
• W2890765209 cites W2341753126 @default.
• W2890765209 cites W2409396011 @default.
• W2890765209 cites W2435970915 @default.
• W2890765209 cites W2443998025 @default.
• W2890765209 cites W2504333204 @default.
• W2890765209 cites W2525853680 @default.
• W2890765209 cites W2527197703 @default.
• W2890765209 cites W2594876840 @default.
• W2890765209 cites W2951515663 @default.
• W2890765209 cites W4245803912 @default.
• W2890765209 cites W574575032 @default.
• W2890765209 doi "https://doi.org/10.1093/mutage/gey020" @default.
• W2890765209 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/6402318" @default.
• W2890765209 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30189015" @default.
• W2890765209 hasPublicationYear "2018" @default.
• W2890765209 type Work @default.
• W2890765209 sameAs 2890765209 @default.
• W2890765209 citedByCount "13" @default.
• W2890765209 countsByYear W28907652092019 @default.
• W2890765209 countsByYear W28907652092020 @default.
• W2890765209 countsByYear W28907652092021 @default.
• W2890765209 countsByYear W28907652092022 @default.
• W2890765209 countsByYear W28907652092023 @default.
• W2890765209 crossrefType "journal-article" @default.
• W2890765209 hasAuthorship W2890765209A5003580009 @default.
• W2890765209 hasAuthorship W2890765209A5015549345 @default.
• W2890765209 hasAuthorship W2890765209A5021553212 @default.
• W2890765209 hasAuthorship W2890765209A5022436392 @default.
• W2890765209 hasAuthorship W2890765209A5024946238 @default.
• W2890765209 hasAuthorship W2890765209A5025058042 @default.
• W2890765209 hasAuthorship W2890765209A5027354226 @default.
• W2890765209 hasAuthorship W2890765209A5028672998 @default.
• W2890765209 hasAuthorship W2890765209A5031085910 @default.

• next