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dc.date.accessioned 2022-07-06T14:53:59Z
dc.date.available 2022-07-06T14:53:59Z
dc.date.issued 2006
dc.identifier.uri http://sedici.unlp.edu.ar/handle/10915/139006
dc.description.abstract In this study we present a simple algorithm based on the Partial Order Ranking (POR) technique which allows to rank a series of compounds according to their molecular descriptor values. A training set composed of 82 normal boiling points for structurally diverse organic compounds is analyzed by considering a pool of 1202 molecular descriptors obtained from the Dragon 5 software and two “flexible” type of variables. The predictive performance of the proposed approach is assessed by means of a test set of 82 “unknown” structurally related molecules. en
dc.format.extent 620-636 es
dc.language en es
dc.subject Partial Order Ranking es
dc.subject QSPR-QSAR es
dc.subject molecular descriptor es
dc.subject normal boiling point es
dc.title Application of a novel ranking approach in QSPR-QSAR en
dc.type Articulo es
sedici.identifier.other doi:10.1007/s10910-006-9214-6 es
sedici.identifier.issn 0259-9791 es
sedici.identifier.issn 1572-8897 es
sedici.creator.person Duchowicz, Pablo Román es
sedici.creator.person Castro, Eduardo Alberto es
sedici.creator.person Fernández, Francisco Marcelo es
sedici.subject.materias Física 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. 43, 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)