Computational methods for NMR and MS for structure elucidation II: Database resources and advanced methods

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MetadadosDescriçãoIdioma
Autor(es): dc.contributorUniversidade Estadual Paulista (Unesp)-
Autor(es): dc.contributorUniversidade de São Paulo (USP)-
Autor(es): dc.contributorUniversity of Greenwich (UoG)-
Autor(es): dc.creatorValli, Marilia [UNESP]-
Autor(es): dc.creatorRusso, Helena Mannochio [UNESP]-
Autor(es): dc.creatorPilon, Alan Cesar [UNESP]-
Autor(es): dc.creatorPinto, Meri Emili Ferreira [UNESP]-
Autor(es): dc.creatorDias, Nathalia B. [UNESP]-
Autor(es): dc.creatorFreire, Rafael Teixeira-
Autor(es): dc.creatorCastro-Gamboa, Ian [UNESP]-
Autor(es): dc.creatorBolzani, Vanderlan Da Silva [UNESP]-
Data de aceite: dc.date.accessioned2022-02-22T00:28:40Z-
Data de disponibilização: dc.date.available2022-02-22T00:28:40Z-
Data de envio: dc.date.issued2020-12-11-
Data de envio: dc.date.issued2020-12-11-
Data de envio: dc.date.issued2019-10-31-
Fonte completa do material: dc.identifierhttp://dx.doi.org/10.1515/psr-2018-0167-
Fonte completa do material: dc.identifierhttp://hdl.handle.net/11449/199887-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/11449/199887-
Descrição: dc.descriptionTechnological advances have contributed to the evolution of the natural product chemistry and drug discovery programs. Recently, computational methods for nuclear magnetic resonance (NMR) and mass spectrometry (MS) have speeded up and facilitated the process of structural elucidation even in high complex biological samples. In this chapter, the current computational tools related to NMR and MS databases and spectral similarity networks, as well as their applications on dereplication and determination of biological biomarkers, are addressed.-
Descrição: dc.descriptionNuclei of Bioassays Biosynthesis and Ecophysiology of Natural Products (NuBBE) Department of Organic Chemistry Institute of Chemistry São Paulo State University (UNESP), Av. Prof. Francisco Degni, 55-
Descrição: dc.descriptionNucleus of Research in Natural Products and Synthetics Dep. Physics and Chemistry Faculty of Pharmaceutical Sciences of Ribeirão Preto São Paulo University-
Descrição: dc.descriptionDept. Biology/CEIS Institute of Biosciences of Rio Claro São Paulo State University (UNESP), Av. 24A n.1515-
Descrição: dc.descriptionMedway Metabonomics Research Group University of Greenwich (UoG)-
Descrição: dc.descriptionNuclei of Bioassays Biosynthesis and Ecophysiology of Natural Products (NuBBE) Department of Organic Chemistry Institute of Chemistry São Paulo State University (UNESP), Av. Prof. Francisco Degni, 55-
Descrição: dc.descriptionDept. Biology/CEIS Institute of Biosciences of Rio Claro São Paulo State University (UNESP), Av. 24A n.1515-
Idioma: dc.languageen-
Relação: dc.relationPhysical Sciences Reviews-
???dc.source???: dc.sourceScopus-
Palavras-chave: dc.subjectdereplication-
Palavras-chave: dc.subjectNMR and MS databases-
Palavras-chave: dc.subjectspectral similarity networks-
Título: dc.titleComputational methods for NMR and MS for structure elucidation II: Database resources and advanced methods-
Tipo de arquivo: dc.typelivro digital-
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