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

dc.contributorUniversidade Estadual Paulista (Unesp)
dc.contributorUniversidade de São Paulo (USP)
dc.contributorUniversity of Greenwich (UoG)
dc.date.accessioned2020-12-12T01:51:57Z
dc.date.accessioned2022-12-19T20:57:59Z
dc.date.available2020-12-12T01:51:57Z
dc.date.available2022-12-19T20:57:59Z
dc.date.created2020-12-12T01:51:57Z
dc.date.issued2019-11-01
dc.identifierPhysical Sciences Reviews, v. 4, n. 11, 2019.
dc.identifier2365-659X
dc.identifierhttp://hdl.handle.net/11449/199887
dc.identifier10.1515/psr-2018-0167
dc.identifier2-s2.0-85077301565
dc.identifier.urihttps://repositorioslatinoamericanos.uchile.cl/handle/2250/5380521
dc.description.abstractTechnological 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.
dc.languageeng
dc.relationPhysical Sciences Reviews
dc.sourceScopus
dc.subjectdereplication
dc.subjectNMR and MS databases
dc.subjectspectral similarity networks
dc.titleComputational methods for NMR and MS for structure elucidation II: Database resources and advanced methods
dc.typeArtículos de revistas


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