FRINK Linked Data Fragments server

Matches in SemOpenAlex for { <https://semopenalex.org/work/W2068226130> ?p ?o ?g. }

• W2068226130 endingPage "128" @default.
• W2068226130 startingPage "107" @default.
• W2068226130 abstract "Abstract The objective of this study was to predict the inhalation toxicokinetics of chemicals in mixtures using an integrated QSAR–PBPK modelling approach. The approach involved: (1) the determination of partition coefficients as well as V max and Km based solely on chemical structure for 53 volatile organic compounds, according to the group contribution approach; and (2) using the QSAR-driven coefficients as input in interaction-based PBPK models in the rat to predict the pharmacokinetics of chemicals in mixtures of up to 10 components (benzene, toluene, m-xylene, o-xylene, p-xylene, ethylbenzene, dichloromethane, trichloroethylene, tetrachloroethylene, and styrene). QSAR-estimated values of V max varied compared with experimental results by a factor of three for 43 out of 53 studied volatile organic compounds (VOCs). K m values were within a factor of three compared with experimental values for 43 out of 53 VOCs. Cross-validation performed as a ratio of predicted residual sum of squares and sum of squares of the response value indicates a value of 0.108 for V max and 0.208 for K m. The integration of QSARs for partition coefficients, V max and K m, as well as setting the K m equal to K i (metabolic inhibition constant) within the mixture PBPK model allowed to generate simulations of the inhalation pharmacokinetics of benzene, toluene, m-xylene, o-xylene, p-xylene, ethylbenzene, dichloromethane, trichloroethylene, tetrachloroethylene and styrene in various mixtures. Overall, the present study indicates the potential usefulness of the QSAR–PBPK modelling approach to provide first-cut evaluations of the kinetics of chemicals in mixtures of increasing complexity, on the basis of chemical structure. Keywords: mixturesPBPK modelpharmacokineticsQSAR–PBPK modeltoxicokinetics Acknowledgements Grants from NSERC-Canada (Operating grants) and ANSES (EST-2007-85) are acknowledged." @default.
• W2068226130 created "2016-06-24" @default.
• W2068226130 creator A5056785288 @default.
• W2068226130 creator A5064615033 @default.
• W2068226130 date "2011-01-01" @default.
• W2068226130 modified "2023-10-18" @default.
• W2068226130 title "An integrated QSAR–PBPK modelling approach for predicting the inhalation toxicokinetics of mixtures of volatile organic chemicals in the rat" @default.
• W2068226130 cites W1490725116 @default.
• W2068226130 cites W1504479009 @default.
• W2068226130 cites W1967045435 @default.
• W2068226130 cites W1973535044 @default.
• W2068226130 cites W1973582972 @default.
• W2068226130 cites W1976628794 @default.
• W2068226130 cites W1977573154 @default.
• W2068226130 cites W1979264461 @default.
• W2068226130 cites W1979610882 @default.
• W2068226130 cites W1983282636 @default.
• W2068226130 cites W1984526747 @default.
• W2068226130 cites W1988023162 @default.
• W2068226130 cites W1993006119 @default.
• W2068226130 cites W1993076814 @default.
• W2068226130 cites W1994919131 @default.
• W2068226130 cites W1998211865 @default.
• W2068226130 cites W1999626828 @default.
• W2068226130 cites W2000582171 @default.
• W2068226130 cites W2001839857 @default.
• W2068226130 cites W2003956595 @default.
• W2068226130 cites W2010398967 @default.
• W2068226130 cites W2010809507 @default.
• W2068226130 cites W2012486655 @default.
• W2068226130 cites W2012496576 @default.
• W2068226130 cites W2015660417 @default.
• W2068226130 cites W2020182610 @default.
• W2068226130 cites W2023036665 @default.
• W2068226130 cites W2024874778 @default.
• W2068226130 cites W2025031102 @default.
• W2068226130 cites W2026022030 @default.
• W2068226130 cites W2031091497 @default.
• W2068226130 cites W2034726356 @default.
• W2068226130 cites W2035140261 @default.
• W2068226130 cites W2035358602 @default.
• W2068226130 cites W2043261314 @default.
• W2068226130 cites W2043633730 @default.
• W2068226130 cites W2045357282 @default.
• W2068226130 cites W2054741000 @default.
• W2068226130 cites W2057660949 @default.
• W2068226130 cites W2058353745 @default.
• W2068226130 cites W2058389363 @default.
• W2068226130 cites W2061559565 @default.
• W2068226130 cites W2065765564 @default.
• W2068226130 cites W2066328398 @default.
• W2068226130 cites W2069035135 @default.
• W2068226130 cites W2070246294 @default.
• W2068226130 cites W2075007582 @default.
• W2068226130 cites W2075183877 @default.
• W2068226130 cites W2075607966 @default.
• W2068226130 cites W2076225427 @default.
• W2068226130 cites W2078126026 @default.
• W2068226130 cites W2080782228 @default.
• W2068226130 cites W2081937148 @default.
• W2068226130 cites W2086092909 @default.
• W2068226130 cites W2089961194 @default.
• W2068226130 cites W2092539345 @default.
• W2068226130 cites W2093216528 @default.
• W2068226130 cites W2099720334 @default.
• W2068226130 cites W2104237916 @default.
• W2068226130 cites W2110004529 @default.
• W2068226130 cites W2116242705 @default.
• W2068226130 cites W2117201765 @default.
• W2068226130 cites W2125947804 @default.
• W2068226130 cites W2145841223 @default.
• W2068226130 cites W2146822452 @default.
• W2068226130 cites W2163570635 @default.
• W2068226130 cites W2319227608 @default.
• W2068226130 cites W2950292270 @default.
• W2068226130 doi "https://doi.org/10.1080/1062936x.2010.548350" @default.
• W2068226130 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/21391144" @default.
• W2068226130 hasPublicationYear "2011" @default.
• W2068226130 type Work @default.
• W2068226130 sameAs 2068226130 @default.
• W2068226130 citedByCount "36" @default.
• W2068226130 countsByYear W20682261302012 @default.
• W2068226130 countsByYear W20682261302013 @default.
• W2068226130 countsByYear W20682261302014 @default.
• W2068226130 countsByYear W20682261302015 @default.
• W2068226130 countsByYear W20682261302016 @default.
• W2068226130 countsByYear W20682261302017 @default.
• W2068226130 countsByYear W20682261302018 @default.
• W2068226130 countsByYear W20682261302019 @default.
• W2068226130 countsByYear W20682261302020 @default.
• W2068226130 countsByYear W20682261302022 @default.
• W2068226130 countsByYear W20682261302023 @default.
• W2068226130 crossrefType "journal-article" @default.
• W2068226130 hasAuthorship W2068226130A5056785288 @default.
• W2068226130 hasAuthorship W2068226130A5064615033 @default.
• W2068226130 hasConcept C107872376 @default.
• W2068226130 hasConcept C112705442 @default.
• W2068226130 hasConcept C126322002 @default.

• next