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dc.contributor.authorLin, Zhifenen_US
dc.contributor.authorZhong, Pingen_US
dc.contributor.authorYin, Kedongen_US
dc.contributor.authorWang, Lianshengen_US
dc.contributor.authorYu, Hongxiaen_US
dc.date.accessioned2017-05-03T15:19:51Z
dc.date.available2017-05-03T15:19:51Z
dc.date.issued2003en_US
dc.date.modified2008-12-15T06:20:38Z
dc.identifier.issn00456535en_US
dc.identifier.doi10.1016/S0045-6535(03)00329-1en_AU
dc.identifier.urihttp://hdl.handle.net/10072/20866
dc.description.abstractA QSAR model is successfully proposed to predict the toxicity effect on Photobacterium phosphoreum by nonpolar-narcotic-chemical mixtures and/or polar-narcotic-chemical mixtures. For nonpolar-narcotic-chemical mixtures and polar-narcotic-chemical mixtures, their corresponding hydrophobicity-based QSAR models are derived from regression analysis. Comparison of these two QSAR models make us believe that it is the joint effect of hydrogen bond in polar-narcotic-chemical mixture that leads to the difference between these two models. Such joint effect of hydrogen bond can be quantified as AMH and BMH by using the different partition coefficients of mixtures in various organic phase/water systems. And the regression analysis results convinced us that the introduction of AMH does improve the quality of the QSAR model with r2=0.948, S.E.=0.166 and F=745.201 at P=0.000 for total 84 mixtures.en_US
dc.description.peerreviewedYesen_US
dc.description.publicationstatusYesen_AU
dc.languageEnglishen_US
dc.language.isoen_AU
dc.publisherPergamonen_US
dc.publisher.placeUKen_US
dc.publisher.urihttp://www.elsevier.com/wps/find/journaldescription.cws_home/362/description#descriptionen_AU
dc.relation.ispartofpagefrom1199en_US
dc.relation.ispartofpageto1208en_US
dc.relation.ispartofissue7en_US
dc.relation.ispartofjournalChemosphereen_US
dc.relation.ispartofvolume52en_US
dc.subject.fieldofresearchcode260401en_US
dc.titleQuantification of joint effect for hydrogen bond and development of QSARs for predicting mixture toxicityen_US
dc.typeJournal articleen_US
dc.type.descriptionC1 - Peer Reviewed (HERDC)en_US
dc.type.codeC - Journal Articlesen_US
gro.date.issued2003
gro.hasfulltextNo Full Text


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