FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W4220763949> ?p ?o ?g. }

• W4220763949 abstract "Aromatic amines, often used as intermediates for pharmaceutical synthesis, may be mutagenic and therefore pose a challenge as metabolites or impurities in drug development. However, predicting the mutagenicity of aromatic amines using commercially available, quantitative structure-activity relationship (QSAR) tools is difficult and often requires expert review. In this study, we developed a shareable QSAR tool based on nitrenium ion stability.The evaluation using in-house aromatic amine intermediates revealed that our model has prediction accuracy of aromatic amine mutagenicity comparable to that of commercial QSAR tools. The effect of changing the number and position of substituents on the mutagenicity of aromatic amines was successfully explained by the change in the nitrenium ion stability. Furthermore, case studies showed that our QSAR tool can support the expert review with quantitative indicators.This local QSAR tool will be useful as a quantitative support tool to explain the substituent effects on the mutagenicity of primary aromatic amines. By further refinement through method sharing and standardization, our tool can support the International Council for Harmonisation of Technical Requirements for Pharmaceuticals for Human Use (ICH) M7 expert review with quantitative indicators." @default.
• W4220763949 created "2022-04-03" @default.
• W4220763949 creator A5013731608 @default.
• W4220763949 creator A5022068319 @default.
• W4220763949 creator A5052135276 @default.
• W4220763949 creator A5061061567 @default.
• W4220763949 creator A5071386832 @default.
• W4220763949 creator A5080247688 @default.
• W4220763949 date "2022-03-21" @default.
• W4220763949 modified "2023-10-09" @default.
• W4220763949 title "A local QSAR model based on the stability of nitrenium ions to support the ICH M7 expert review on the mutagenicity of primary aromatic amines" @default.
• W4220763949 cites W1965258338 @default.
• W4220763949 cites W1971712477 @default.
• W4220763949 cites W1984470879 @default.
• W4220763949 cites W2005156172 @default.
• W4220763949 cites W2007184166 @default.
• W4220763949 cites W2009268549 @default.
• W4220763949 cites W2015427368 @default.
• W4220763949 cites W2033799829 @default.
• W4220763949 cites W2046699212 @default.
• W4220763949 cites W2049383029 @default.
• W4220763949 cites W2056038686 @default.
• W4220763949 cites W2077973224 @default.
• W4220763949 cites W2078145018 @default.
• W4220763949 cites W2108643067 @default.
• W4220763949 cites W2122228020 @default.
• W4220763949 cites W2156969789 @default.
• W4220763949 cites W2257011728 @default.
• W4220763949 cites W2260822508 @default.
• W4220763949 cites W2328014372 @default.
• W4220763949 cites W2328375070 @default.
• W4220763949 cites W2396732878 @default.
• W4220763949 cites W251312096 @default.
• W4220763949 cites W2596496544 @default.
• W4220763949 cites W2809050932 @default.
• W4220763949 cites W2888524438 @default.
• W4220763949 cites W2888802689 @default.
• W4220763949 cites W2898098684 @default.
• W4220763949 cites W2914366467 @default.
• W4220763949 cites W2995571523 @default.
• W4220763949 cites W3040337222 @default.
• W4220763949 cites W3093197810 @default.
• W4220763949 doi "https://doi.org/10.1186/s41021-022-00238-1" @default.
• W4220763949 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35313995" @default.
• W4220763949 hasPublicationYear "2022" @default.
• W4220763949 type Work @default.
• W4220763949 citedByCount "0" @default.
• W4220763949 crossrefType "journal-article" @default.
• W4220763949 hasAuthorship W4220763949A5013731608 @default.
• W4220763949 hasAuthorship W4220763949A5022068319 @default.
• W4220763949 hasAuthorship W4220763949A5052135276 @default.
• W4220763949 hasAuthorship W4220763949A5061061567 @default.
• W4220763949 hasAuthorship W4220763949A5071386832 @default.
• W4220763949 hasAuthorship W4220763949A5080247688 @default.
• W4220763949 hasBestOaLocation W42207639491 @default.
• W4220763949 hasConcept C121332964 @default.
• W4220763949 hasConcept C127413603 @default.
• W4220763949 hasConcept C1276947 @default.
• W4220763949 hasConcept C131779359 @default.
• W4220763949 hasConcept C147597530 @default.
• W4220763949 hasConcept C164126121 @default.
• W4220763949 hasConcept C178790620 @default.
• W4220763949 hasConcept C183696295 @default.
• W4220763949 hasConcept C185592680 @default.
• W4220763949 hasConcept C21951064 @default.
• W4220763949 hasConcept C2777977315 @default.
• W4220763949 hasConcept C2778689049 @default.
• W4220763949 hasConcept C2779043668 @default.
• W4220763949 hasConcept C71240020 @default.
• W4220763949 hasConceptScore W4220763949C121332964 @default.
• W4220763949 hasConceptScore W4220763949C127413603 @default.
• W4220763949 hasConceptScore W4220763949C1276947 @default.
• W4220763949 hasConceptScore W4220763949C131779359 @default.
• W4220763949 hasConceptScore W4220763949C147597530 @default.
• W4220763949 hasConceptScore W4220763949C164126121 @default.
• W4220763949 hasConceptScore W4220763949C178790620 @default.
• W4220763949 hasConceptScore W4220763949C183696295 @default.
• W4220763949 hasConceptScore W4220763949C185592680 @default.
• W4220763949 hasConceptScore W4220763949C21951064 @default.
• W4220763949 hasConceptScore W4220763949C2777977315 @default.
• W4220763949 hasConceptScore W4220763949C2778689049 @default.
• W4220763949 hasConceptScore W4220763949C2779043668 @default.
• W4220763949 hasConceptScore W4220763949C71240020 @default.
• W4220763949 hasIssue "1" @default.
• W4220763949 hasLocation W42207639491 @default.
• W4220763949 hasLocation W42207639492 @default.
• W4220763949 hasLocation W42207639493 @default.
• W4220763949 hasOpenAccess W4220763949 @default.
• W4220763949 hasPrimaryLocation W42207639491 @default.
• W4220763949 hasRelatedWork W2000204146 @default.
• W4220763949 hasRelatedWork W2015271090 @default.
• W4220763949 hasRelatedWork W2029724781 @default.
• W4220763949 hasRelatedWork W2061884920 @default.
• W4220763949 hasRelatedWork W2072163117 @default.
• W4220763949 hasRelatedWork W2131216566 @default.
• W4220763949 hasRelatedWork W2287799316 @default.
• W4220763949 hasRelatedWork W2558881324 @default.
• W4220763949 hasRelatedWork W2953261074 @default.
• W4220763949 hasRelatedWork W2095294407 @default.
• W4220763949 hasVolume "44" @default.

• next