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A constraints generator in structural determination by microcomputer

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dc.contributor.authorFromanteau, Denise L. G. [UNESP]
dc.contributor.authorGastmans, Jean Pierre [UNESP]
dc.contributor.authorVestri, Sandra Aparecida [UNESP]
dc.contributor.authorEmerenciano, V. D.
dc.contributor.authorBorges, J. H. G.
dc.contributor.institutionUniversidade de São Paulo (USP)
dc.contributor.institutionUniversidade Federal de São Carlos (UFSCar)
dc.contributor.institutionUniversidade Estadual Paulista (Unesp)
dc.date.accessioned2014-05-20T15:26:26Z
dc.date.available2014-05-20T15:26:26Z
dc.date.issued1993-12-01
dc.description.abstractWe present a new expert system: a constraints generator for structure determination of natural products. The constraints that the system furnishes are: skeleton (reliability: 95%), large substructures (reliability: 98%) and their associated assignments (reliability: 90%) This system is intended for structure determination of carbon-rich compounds (sesqui-, di- and triterpenes, sterols etc.) for which most structures generators are not very effective. We also present a new algorithm that can avoid the combinatorial explosion during subspectrum/substructure analysis.en
dc.description.affiliationUSP,INST QUIM,SAO PAULO,BRAZIL
dc.description.affiliationUNIV FED SAO CARLOS,DEPT QUIM,BR-13560 SAO CARLOS,SP,BRAZIL
dc.format.extent369-378
dc.identifierhttp://dx.doi.org/10.1016/0097-8485(93)85016-6
dc.identifier.citationComputers & Chemistry. Oxford: Pergamon-Elsevier B.V., v. 17, n. 4, p. 369-378, 1993.
dc.identifier.doi10.1016/0097-8485(93)85016-6
dc.identifier.issn0097-8485
dc.identifier.urihttp://hdl.handle.net/11449/36609
dc.identifier.wosWOS:A1993MM51600003
dc.language.isoeng
dc.publisherElsevier B.V.
dc.relation.ispartofComputers & Chemistry
dc.rights.accessRightsAcesso restrito
dc.sourceWeb of Science
dc.titleA constraints generator in structural determination by microcomputeren
dc.typeArtigo
dcterms.licensehttp://www.elsevier.com/about/open-access/open-access-policies/article-posting-policy
dcterms.rightsHolderElsevier B.V.
dspace.entity.typePublication
unesp.campusUniversidade Estadual Paulista (UNESP), Faculdade de Engenharia, Guaratinguetápt
unesp.departmentFísica e Química - FEGpt

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Guaratinguetá - FEG - Faculdade de Engenharia e Ciências