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dc.date.accessioned 2022-02-11T15:56:21Z
dc.date.available 2022-02-11T15:56:21Z
dc.date.issued 2005-05
dc.identifier.uri http://sedici.unlp.edu.ar/handle/10915/130947
dc.description.abstract A new predictive method based on Partial Order Ranking is introduced in the realm of the QSPR–QSAR Theory using a single descriptor as variable and which is simple enough to perform calculations by hand. Comparisons are made with a model relying on the Least Squares Method subjected to the modeling of the Enthalpy of Formation from Elements exhibed by a set of 51 hydrocarbon molecules by means of a flexible type descriptor. The results achieved with the proposed method are quite satisfactory and its future aplicability seems to be very promising. en
dc.format.extent 433-441 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 flexible descriptor es
dc.subject enthalpy of formation from elements es
dc.title QSPR modeling of the enthalpy of formation based on Partial Order Ranking en
dc.type Articulo es
sedici.identifier.other doi:10.1007/s10910-004-1110-3 es
sedici.identifier.issn 0259-9791 es
sedici.identifier.issn 1572-8897 es
sedici.creator.person Castro, Eduardo Alberto es
sedici.creator.person Fernández, Francisco Marcelo es
sedici.creator.person Duchowicz, Pablo Román es
sedici.subject.materias Ciencias Exactas es
sedici.subject.materias Química es
sedici.description.fulltext true es
mods.originInfo.place Facultad de Ciencias Exactas es
mods.originInfo.place Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas 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.workflowEdited true es
sedici.relation.journalTitle Journal of Mathematical Chemistry es
sedici.relation.journalVolumeAndIssue vol. 37, no. 4 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)