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Please use this identifier to cite or link to this item: http://acervodigital.unesp.br/handle/11449/32282
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dc.contributor.authorEmerenciano, Vicente P.-
dc.contributor.authorAlvarenga, Sandra A. V.-
dc.contributor.authorScotti, Marcus Tullius-
dc.contributor.authorFerreira, Marcelo J. P.-
dc.contributor.authorStefani, Ricardo-
dc.contributor.authorNuzillard, Jean-Marc-
dc.date.accessioned2014-05-20T15:21:06Z-
dc.date.accessioned2016-10-25T17:54:24Z-
dc.date.available2014-05-20T15:21:06Z-
dc.date.available2016-10-25T17:54:24Z-
dc.date.issued2006-10-10-
dc.identifierhttp://dx.doi.org/10.1016/j.aca.2006.07.023-
dc.identifier.citationAnalytica Chimica Acta. Amsterdam: Elsevier B.V., v. 579, n. 2, p. 217-226, 2006.-
dc.identifier.issn0003-2670-
dc.identifier.urihttp://hdl.handle.net/11449/32282-
dc.identifier.urihttp://acervodigital.unesp.br/handle/11449/32282-
dc.description.abstractFeed-forward neural networks (FFNNs) were used to predict the skeletal type of molecules belonging to six classes of terpenoids. A database that contains the (13)C NMR spectra of about 5000 compounds was used to train the FFNNs. An efficient representation of the spectra was designed and the constitution of the best FFNN input vector format resorted from an heuristic approach. The latter was derived from general considerations on terpenoid structures. (c) 2006 Elsevier B.V. All rights reserved.en
dc.format.extent217-226-
dc.language.isoeng-
dc.publisherElsevier B.V.-
dc.sourceWeb of Science-
dc.subjectartificial neural networkspt
dc.subject(13)C NMRpt
dc.subjectspectroscopypt
dc.subjectterpenoidspt
dc.subjectsteroidspt
dc.titleAutomatic identification of terpenoid skeletons by feed-forward neural networksen
dc.typeoutro-
dc.contributor.institutionUniversidade de São Paulo (USP)-
dc.contributor.institutionUniversidade Estadual Paulista (UNESP)-
dc.contributor.institutionUniv Reims-
dc.description.affiliationUniv São Paulo, Inst Quim, BR-05513970 São Paulo, Brazil-
dc.description.affiliationUniv Estadual Paulista, Fac Engn Guaratingueta, BR-12516410 São Paulo, Brazil-
dc.description.affiliationUSP, FFCLRP, Dept Quim, BR-14040905 Ribeirao Preto, SP, Brazil-
dc.description.affiliationUniv Reims, FRE 2715, F-51687 Reims 2, France-
dc.description.affiliationUnespUniv Estadual Paulista, Fac Engn Guaratingueta, BR-12516410 São Paulo, Brazil-
dc.identifier.doi10.1016/j.aca.2006.07.023-
dc.identifier.wosWOS:000241473700010-
dc.rights.accessRightsAcesso restrito-
dc.relation.ispartofAnalytica Chimica Acta-
Appears in Collections:Artigos, TCCs, Teses e Dissertações da Unesp

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