FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W1978508989> ?p ?o ?g. }

• W1978508989 endingPage "1986" @default.
• W1978508989 startingPage "1980" @default.
• W1978508989 abstract "Environmental contaminants are frequently encountered as mixtures, and research on mixture toxicity is a hot topic until now. In the present study, the mixture toxicity of non-polar narcotic chemical was modeled by linear and nonlinear statistical methods, that is to say, by forward stepwise multilinear regression (MLR) and radial basis function neural networks (RBFNNs) from molecular descriptors that are calculated and be defined as composite descriptors according to the fractional concentrations of the mixture components. The statistical parameters provided by the MLR model were R2 = 0.9512, RMS = 0.3792, F = 1402.214 and LOOq2 = 0.9462 for the training set, and R2 = 0.9453, RMS = 0.3458, F = 276.671 and qext2 = 0.9450 for the external test set. The RBFNN model gave the following statistical results, namely: R2 = 0.9779, RMS = 0.2498, F = 3188.202 and LOOq2 = 0.9746 for the training set, and R2 = 0.9763, RMS = 0.2358, F = 660.631 and qext2 = 0.9745, for the external test set. Overall, these results suggest that the QSAR MLR-based model is a simple, reliable, credible and fast tool for the prediction mixture toxicity of non-polar narcotic chemicals. The RBFNN model gave even improved results. In addition, εLUMO+1 (the energy of the second lowest unoccupied molecular orbital) and PPSA (total charge weighted partial positively surface area) were found to have high correlation with the mixture toxicity." @default.
• W1978508989 created "2016-06-24" @default.
• W1978508989 creator A5031900984 @default.
• W1978508989 creator A5048808641 @default.
• W1978508989 creator A5055771112 @default.
• W1978508989 creator A5078456250 @default.
• W1978508989 date "2013-02-01" @default.
• W1978508989 modified "2023-09-27" @default.
• W1978508989 title "Prediction of the baseline toxicity of non-polar narcotic chemical mixtures by QSAR approach" @default.
• W1978508989 cites W1852324736 @default.
• W1978508989 cites W1971934634 @default.
• W1978508989 cites W1974778190 @default.
• W1978508989 cites W1975816943 @default.
• W1978508989 cites W1978520750 @default.
• W1978508989 cites W1980019773 @default.
• W1978508989 cites W1984915272 @default.
• W1978508989 cites W1993871655 @default.
• W1978508989 cites W1995448239 @default.
• W1978508989 cites W2007698848 @default.
• W1978508989 cites W2019493016 @default.
• W1978508989 cites W2020182610 @default.
• W1978508989 cites W2023782921 @default.
• W1978508989 cites W2027203747 @default.
• W1978508989 cites W2028592670 @default.
• W1978508989 cites W2051084041 @default.
• W1978508989 cites W2053180170 @default.
• W1978508989 cites W2055138006 @default.
• W1978508989 cites W2073696737 @default.
• W1978508989 cites W2074681440 @default.
• W1978508989 cites W2078716676 @default.
• W1978508989 cites W2079228578 @default.
• W1978508989 cites W2087466582 @default.
• W1978508989 cites W2088791186 @default.
• W1978508989 cites W2094522965 @default.
• W1978508989 cites W2095392124 @default.
• W1978508989 cites W2099757822 @default.
• W1978508989 cites W2950915491 @default.
• W1978508989 doi "https://doi.org/10.1016/j.chemosphere.2012.10.065" @default.
• W1978508989 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/23177708" @default.
• W1978508989 hasPublicationYear "2013" @default.
• W1978508989 type Work @default.
• W1978508989 sameAs 1978508989 @default.
• W1978508989 citedByCount "22" @default.
• W1978508989 countsByYear W19785089892014 @default.
• W1978508989 countsByYear W19785089892015 @default.
• W1978508989 countsByYear W19785089892016 @default.
• W1978508989 countsByYear W19785089892018 @default.
• W1978508989 countsByYear W19785089892019 @default.
• W1978508989 countsByYear W19785089892020 @default.
• W1978508989 countsByYear W19785089892021 @default.
• W1978508989 countsByYear W19785089892022 @default.
• W1978508989 countsByYear W19785089892023 @default.
• W1978508989 crossrefType "journal-article" @default.
• W1978508989 hasAuthorship W1978508989A5031900984 @default.
• W1978508989 hasAuthorship W1978508989A5048808641 @default.
• W1978508989 hasAuthorship W1978508989A5055771112 @default.
• W1978508989 hasAuthorship W1978508989A5078456250 @default.
• W1978508989 hasConcept C105795698 @default.
• W1978508989 hasConcept C121332964 @default.
• W1978508989 hasConcept C1276947 @default.
• W1978508989 hasConcept C14158195 @default.
• W1978508989 hasConcept C147597530 @default.
• W1978508989 hasConcept C164126121 @default.
• W1978508989 hasConcept C164923092 @default.
• W1978508989 hasConcept C169903167 @default.
• W1978508989 hasConcept C170964787 @default.
• W1978508989 hasConcept C178790620 @default.
• W1978508989 hasConcept C185592680 @default.
• W1978508989 hasConcept C186060115 @default.
• W1978508989 hasConcept C29705727 @default.
• W1978508989 hasConcept C32909587 @default.
• W1978508989 hasConcept C33923547 @default.
• W1978508989 hasConcept C48921125 @default.
• W1978508989 hasConcept C71240020 @default.
• W1978508989 hasConcept C86803240 @default.
• W1978508989 hasConceptScore W1978508989C105795698 @default.
• W1978508989 hasConceptScore W1978508989C121332964 @default.
• W1978508989 hasConceptScore W1978508989C1276947 @default.
• W1978508989 hasConceptScore W1978508989C14158195 @default.
• W1978508989 hasConceptScore W1978508989C147597530 @default.
• W1978508989 hasConceptScore W1978508989C164126121 @default.
• W1978508989 hasConceptScore W1978508989C164923092 @default.
• W1978508989 hasConceptScore W1978508989C169903167 @default.
• W1978508989 hasConceptScore W1978508989C170964787 @default.
• W1978508989 hasConceptScore W1978508989C178790620 @default.
• W1978508989 hasConceptScore W1978508989C185592680 @default.
• W1978508989 hasConceptScore W1978508989C186060115 @default.
• W1978508989 hasConceptScore W1978508989C29705727 @default.
• W1978508989 hasConceptScore W1978508989C32909587 @default.
• W1978508989 hasConceptScore W1978508989C33923547 @default.
• W1978508989 hasConceptScore W1978508989C48921125 @default.
• W1978508989 hasConceptScore W1978508989C71240020 @default.
• W1978508989 hasConceptScore W1978508989C86803240 @default.
• W1978508989 hasFunder F4320324174 @default.
• W1978508989 hasIssue "6" @default.
• W1978508989 hasLocation W19785089891 @default.
• W1978508989 hasLocation W19785089892 @default.
• W1978508989 hasOpenAccess W1978508989 @default.

• next