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dc.date.accessioned 2019-10-30T16:33:04Z
dc.date.available 2019-10-30T16:33:04Z
dc.date.issued 2004
dc.identifier.uri http://sedici.unlp.edu.ar/handle/10915/84407
dc.description.abstract Aqueous solubilities of polychlorinated biphenyls have been correlated with topological molecular descriptors which are functions of local and global invariants of labeled hydrogen filled graphs. Morgan extended connectivity and nearest neighboring codes have been used as local graph invariants. The number of chlorine atoms in biphenyls has been employed as a global graph invariant. Present results show that taking into account correlation weights of global invariants gives quite reasonable improvement of statistical characteristics for the prediction of aqueous solubilities of polychlorinated biphenyls. en
dc.format.extent 500-523 es
dc.language en es
dc.subject Aqueous solubility es
dc.subject Graph invariants es
dc.subject Polychlorinated biphenyls es
dc.subject QSPR modeling es
dc.subject Topological descriptors es
dc.title QSPR modeling aqueous solubility of polychlorinated biphenyls by optimization of correlation weights of local and global graph invariants en
dc.type Articulo es
sedici.identifier.other doi:10.2478/BF02476204 es
sedici.identifier.other eid:2-s2.0-33644586885 es
sedici.identifier.issn 1644-3624 es
sedici.creator.person Castro, Eduardo Alberto es
sedici.creator.person Toropov, Andrey A. es
sedici.creator.person Nesterova, Alexandra I. es
sedici.creator.person Nabiev, Ozad M. es
sedici.subject.materias Ciencias Exactas es
sedici.subject.materias Química es
sedici.description.fulltext true es
mods.originInfo.place Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas es
mods.originInfo.place Facultad de Ciencias Exactas es
sedici.subtype Articulo es
sedici.rights.license Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0)
sedici.rights.uri http://creativecommons.org/licenses/by-nc-sa/4.0/
sedici.description.peerReview peer-review es
sedici.relation.journalTitle Central European Journal of Chemistry es
sedici.relation.journalVolumeAndIssue vol. 2, no. 3 es
sedici.rights.sherpa * RoMEO: verde* Pre-print del autor: can* Post-print del autor: can* Versión de editor/PDF:can* Condiciones:>>On authors' personal website or institutional repository>>La fuente editorial debe reconocerse>>Must link to journal homepage with DOI>>Creative Commons Attribution Non-Commercial No Derivatives License 4.0>>La versión de editor/PDF puede utilizarse>>NIH Authors articles will be automatically submitted to PubMed Central upon online publication>>If required by funding agency, authors may use a Creative Commons Attribution License>>Author retain copyright>>All titles are open access journals>>Publisher last contacted on 27/03/2014* Link a Sherpa: http://sherpa.ac.uk/romeo/issn/1895-1066/es/


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