Matches in SemOpenAlex for { <https://semopenalex.org/work/W2016166306> ?p ?o ?g. }
Showing items 1 to 69 of
69
with 100 items per page.
- W2016166306 endingPage "858" @default.
- W2016166306 startingPage "847" @default.
- W2016166306 abstract "In the present study we have utilized comparative molecular field analysis (CoMFA), a three-dimensional quantitative structure-activity relationship paradigm, to explore the physico-chemical requirements for binding to the Ah (dioxin) receptor. Recent developments by Gillner et al. [(1993) Mol. Pharmacol. 44, 336-345] prompted us to review and revise our previous CoMFA/QSAR model [Waller, C. L., and McKinney, J. D. (1992) J. Med. Chem. 36, 3660-3666] to include a structurally-diverse training set of Ah receptor ligands ranging in size from naphthalene to indolo[3,2-b]carbazole nuclei. An exhaustive validation process utilizing external test sets and hierarchical cluster analysis routines was employed during model construction and is discussed herein. The limitations of the approach presented herein are discussed with respect to predictive ability of the CoMFA/QSAR models, which is demonstrated to be dependent on a balance between structural diversity and redundancy in the molecules comprising the training set. The results of our modified CoMFA/QSAR model are consistent with and unify all previously established structure-activity relationships established for less structurally-diverse training sets of Ah receptor ligands. As a result of the more complete nature of the series of molecules under examination in the present study, the CoMFA/QSAR steric and electrostatic field contour plots as well as the essential and excluded volume plots provide for a more detailed characterization of the molecular binding domain of the Ah receptor. The implications of the CoMFA/QSAR model presented herein are explored with respect to quantitative hazard identification of potential toxicants." @default.
- W2016166306 created "2016-06-24" @default.
- W2016166306 creator A5033174313 @default.
- W2016166306 creator A5053394454 @default.
- W2016166306 date "1995-09-01" @default.
- W2016166306 modified "2023-09-25" @default.
- W2016166306 title "Three-Dimensional Quantitative Structure-Activity Relationships of Dioxins and Dioxin-like Compounds: Model Validation and Ah Receptor Characterization" @default.
- W2016166306 doi "https://doi.org/10.1021/tx00048a005" @default.
- W2016166306 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/7492734" @default.
- W2016166306 hasPublicationYear "1995" @default.
- W2016166306 type Work @default.
- W2016166306 sameAs 2016166306 @default.
- W2016166306 citedByCount "141" @default.
- W2016166306 countsByYear W20161663062012 @default.
- W2016166306 countsByYear W20161663062013 @default.
- W2016166306 countsByYear W20161663062014 @default.
- W2016166306 countsByYear W20161663062015 @default.
- W2016166306 countsByYear W20161663062016 @default.
- W2016166306 countsByYear W20161663062018 @default.
- W2016166306 countsByYear W20161663062020 @default.
- W2016166306 countsByYear W20161663062022 @default.
- W2016166306 countsByYear W20161663062023 @default.
- W2016166306 crossrefType "journal-article" @default.
- W2016166306 hasAuthorship W2016166306A5033174313 @default.
- W2016166306 hasAuthorship W2016166306A5053394454 @default.
- W2016166306 hasConcept C107908354 @default.
- W2016166306 hasConcept C147597530 @default.
- W2016166306 hasConcept C154945302 @default.
- W2016166306 hasConcept C164126121 @default.
- W2016166306 hasConcept C185592680 @default.
- W2016166306 hasConcept C201194858 @default.
- W2016166306 hasConcept C41008148 @default.
- W2016166306 hasConcept C51632099 @default.
- W2016166306 hasConcept C70721500 @default.
- W2016166306 hasConcept C71240020 @default.
- W2016166306 hasConcept C86803240 @default.
- W2016166306 hasConceptScore W2016166306C107908354 @default.
- W2016166306 hasConceptScore W2016166306C147597530 @default.
- W2016166306 hasConceptScore W2016166306C154945302 @default.
- W2016166306 hasConceptScore W2016166306C164126121 @default.
- W2016166306 hasConceptScore W2016166306C185592680 @default.
- W2016166306 hasConceptScore W2016166306C201194858 @default.
- W2016166306 hasConceptScore W2016166306C41008148 @default.
- W2016166306 hasConceptScore W2016166306C51632099 @default.
- W2016166306 hasConceptScore W2016166306C70721500 @default.
- W2016166306 hasConceptScore W2016166306C71240020 @default.
- W2016166306 hasConceptScore W2016166306C86803240 @default.
- W2016166306 hasIssue "6" @default.
- W2016166306 hasLocation W20161663061 @default.
- W2016166306 hasLocation W20161663062 @default.
- W2016166306 hasOpenAccess W2016166306 @default.
- W2016166306 hasPrimaryLocation W20161663061 @default.
- W2016166306 hasRelatedWork W1488660201 @default.
- W2016166306 hasRelatedWork W2003226093 @default.
- W2016166306 hasRelatedWork W2006915657 @default.
- W2016166306 hasRelatedWork W2030067016 @default.
- W2016166306 hasRelatedWork W2039209783 @default.
- W2016166306 hasRelatedWork W2068584446 @default.
- W2016166306 hasRelatedWork W2091806755 @default.
- W2016166306 hasRelatedWork W2094630932 @default.
- W2016166306 hasRelatedWork W2142085049 @default.
- W2016166306 hasRelatedWork W2953125207 @default.
- W2016166306 hasVolume "8" @default.
- W2016166306 isParatext "false" @default.
- W2016166306 isRetracted "false" @default.
- W2016166306 magId "2016166306" @default.
- W2016166306 workType "article" @default.