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dc.date.accessioned 2022-05-06T17:52:38Z
dc.date.available 2022-05-06T17:52:38Z
dc.date.issued 2007-12-08
dc.identifier.uri http://sedici.unlp.edu.ar/handle/10915/135822
dc.description.abstract We apply a predictive method based on Partial Order Ranking that employs a single molecular descriptor in the model and that is simple enough to perform calculations by hand. A comparison of this procedure with results obtained from the least squares technique is carried out, using aqueous toxicity values elicited by 67 compounds and their aromatic mixtures, and the octanol/water partition coefficient as structural descriptor. Both techniques verify that, by means of a previous classification of the compounds in polar and non-polar groups, it is possible to predict the joint toxicological effect. en
dc.format.extent 541-549 es
dc.language en es
dc.subject QSPR–QSAR theory es
dc.subject Least Squares method es
dc.subject Partial Order Ranking es
dc.subject Vibrio fischeri es
dc.subject Octanol/water partition coefficient es
dc.title Partial Order Ranking for the aqueous toxicity of aromatic mixtures en
dc.type Articulo es
sedici.identifier.other doi:10.1007/s10910-007-9327-6 es
sedici.identifier.issn 0259-9791 es
sedici.identifier.issn 1572-8897 es
sedici.creator.person Duchowicz, Pablo Román es
sedici.creator.person Vitale, Martín Gustavo es
sedici.creator.person Castro, Eduardo Alberto es
sedici.subject.materias Química es
sedici.description.fulltext true es
mods.originInfo.place Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas es
sedici.subtype Articulo es
sedici.rights.license Creative Commons Attribution 4.0 International (CC BY 4.0)
sedici.rights.uri http://creativecommons.org/licenses/by/4.0/
sedici.description.peerReview peer-review es
sedici.relation.journalTitle Journal of Mathematical Chemistry es
sedici.relation.journalVolumeAndIssue vol. 44, no. 2 es


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Creative Commons Attribution 4.0 International (CC BY 4.0) Excepto donde se diga explícitamente, este item se publica bajo la siguiente licencia Creative Commons Attribution 4.0 International (CC BY 4.0)