Matches in SemOpenAlex for { <https://semopenalex.org/work/W2080567363> ?p ?o ?g. }
Showing items 1 to 97 of
97
with 100 items per page.
- W2080567363 endingPage "1051" @default.
- W2080567363 startingPage "1039" @default.
- W2080567363 abstract "Polychlorinated diphenyl ethers (PCDEs) have received more and more concerns as a group of ubiquitous potential persistent organic pollutants (POPs). By using molecular electronegativity distance vector (MEDV-4), multiple linear regression (MLR) models are developed for sub-cooled liquid vapor pressures (P(L)), n-octanol/water partition coefficients (K(OW)) and sub-cooled liquid water solubilities (S(W,L)) of 209 PCDEs and diphenyl ether. The correlation coefficients (R) and the leave-one-out cross-validation (LOO) correlation coefficients (R(CV)) of all the 6-descriptor models for logP(L), logK(OW) and logS(W,L) are more than 0.98. By using stepwise multiple regression (SMR), the descriptors are selected and the resulting models are 5-descriptor model for logP(L), 4-descriptor model for logK(OW), and 6-descriptor model for logS(W,L), respectively. All these models exhibit excellent estimate capabilities for internal sample set and good predictive capabilities for external samples set. The consistency between observed and estimated/predicted values for logP(L) is the best (R=0.996, R(CV)=0.996), followed by logK(OW) (R=0.992, R(CV)=0.992) and logS(W,L) (R=0.983, R(CV)=0.980). By using MEDV-4 descriptors, the QSPR models can be used for prediction and the model predictions can hence extend the current database of experimental values." @default.
- W2080567363 created "2016-06-24" @default.
- W2080567363 creator A5013961549 @default.
- W2080567363 creator A5045556967 @default.
- W2080567363 creator A5062170722 @default.
- W2080567363 creator A5067329294 @default.
- W2080567363 creator A5072045999 @default.
- W2080567363 date "2007-01-01" @default.
- W2080567363 modified "2023-10-16" @default.
- W2080567363 title "QSPR study of polychlorinated diphenyl ethers by molecular electronegativity distance vector (MEDV-4)" @default.
- W2080567363 cites W1964395883 @default.
- W2080567363 cites W1965997674 @default.
- W2080567363 cites W1971757148 @default.
- W2080567363 cites W1991819894 @default.
- W2080567363 cites W2014153541 @default.
- W2080567363 cites W2028369703 @default.
- W2080567363 cites W2034907439 @default.
- W2080567363 cites W2042063959 @default.
- W2080567363 cites W2047109757 @default.
- W2080567363 cites W2067329834 @default.
- W2080567363 cites W2072313693 @default.
- W2080567363 cites W2073791757 @default.
- W2080567363 cites W2082346386 @default.
- W2080567363 cites W2082685043 @default.
- W2080567363 cites W2093765239 @default.
- W2080567363 doi "https://doi.org/10.1016/j.chemosphere.2006.07.013" @default.
- W2080567363 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/16919308" @default.
- W2080567363 hasPublicationYear "2007" @default.
- W2080567363 type Work @default.
- W2080567363 sameAs 2080567363 @default.
- W2080567363 citedByCount "9" @default.
- W2080567363 countsByYear W20805673632013 @default.
- W2080567363 countsByYear W20805673632014 @default.
- W2080567363 countsByYear W20805673632017 @default.
- W2080567363 countsByYear W20805673632023 @default.
- W2080567363 crossrefType "journal-article" @default.
- W2080567363 hasAuthorship W2080567363A5013961549 @default.
- W2080567363 hasAuthorship W2080567363A5045556967 @default.
- W2080567363 hasAuthorship W2080567363A5062170722 @default.
- W2080567363 hasAuthorship W2080567363A5067329294 @default.
- W2080567363 hasAuthorship W2080567363A5072045999 @default.
- W2080567363 hasConcept C105795698 @default.
- W2080567363 hasConcept C113196181 @default.
- W2080567363 hasConcept C125453309 @default.
- W2080567363 hasConcept C164126121 @default.
- W2080567363 hasConcept C164923092 @default.
- W2080567363 hasConcept C170964787 @default.
- W2080567363 hasConcept C177293861 @default.
- W2080567363 hasConcept C178790620 @default.
- W2080567363 hasConcept C185592680 @default.
- W2080567363 hasConcept C192552737 @default.
- W2080567363 hasConcept C27181475 @default.
- W2080567363 hasConcept C2776226600 @default.
- W2080567363 hasConcept C2778092639 @default.
- W2080567363 hasConcept C33923547 @default.
- W2080567363 hasConcept C43617362 @default.
- W2080567363 hasConcept C48921125 @default.
- W2080567363 hasConcept C71240020 @default.
- W2080567363 hasConceptScore W2080567363C105795698 @default.
- W2080567363 hasConceptScore W2080567363C113196181 @default.
- W2080567363 hasConceptScore W2080567363C125453309 @default.
- W2080567363 hasConceptScore W2080567363C164126121 @default.
- W2080567363 hasConceptScore W2080567363C164923092 @default.
- W2080567363 hasConceptScore W2080567363C170964787 @default.
- W2080567363 hasConceptScore W2080567363C177293861 @default.
- W2080567363 hasConceptScore W2080567363C178790620 @default.
- W2080567363 hasConceptScore W2080567363C185592680 @default.
- W2080567363 hasConceptScore W2080567363C192552737 @default.
- W2080567363 hasConceptScore W2080567363C27181475 @default.
- W2080567363 hasConceptScore W2080567363C2776226600 @default.
- W2080567363 hasConceptScore W2080567363C2778092639 @default.
- W2080567363 hasConceptScore W2080567363C33923547 @default.
- W2080567363 hasConceptScore W2080567363C43617362 @default.
- W2080567363 hasConceptScore W2080567363C48921125 @default.
- W2080567363 hasConceptScore W2080567363C71240020 @default.
- W2080567363 hasIssue "6" @default.
- W2080567363 hasLocation W20805673631 @default.
- W2080567363 hasLocation W20805673632 @default.
- W2080567363 hasOpenAccess W2080567363 @default.
- W2080567363 hasPrimaryLocation W20805673631 @default.
- W2080567363 hasRelatedWork W1978739517 @default.
- W2080567363 hasRelatedWork W1992601093 @default.
- W2080567363 hasRelatedWork W2075815699 @default.
- W2080567363 hasRelatedWork W2134395482 @default.
- W2080567363 hasRelatedWork W2356182038 @default.
- W2080567363 hasRelatedWork W2368844059 @default.
- W2080567363 hasRelatedWork W2392487569 @default.
- W2080567363 hasRelatedWork W2393115487 @default.
- W2080567363 hasRelatedWork W2982450351 @default.
- W2080567363 hasRelatedWork W3014826520 @default.
- W2080567363 hasVolume "66" @default.
- W2080567363 isParatext "false" @default.
- W2080567363 isRetracted "false" @default.
- W2080567363 magId "2080567363" @default.
- W2080567363 workType "article" @default.