New improvements in automatic structure elucidation using the LSD (logic for structure determination) and the SISTEMAT expert systems

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dc.contributor.authorPlainchont B.
dc.contributor.authorNuzillard J.-M.
dc.contributor.authorRodrigues G.V.
dc.contributor.authorFerreira M.J.P.
dc.contributor.authorScotti M.T.
dc.contributor.authorEmerenciano V.P.
dc.date.accessioned2024-03-13T01:33:02Z
dc.date.available2024-03-13T01:33:02Z
dc.date.issued2010
dc.description.abstractThis article describes the integration of the LSD (Logic for Structure Determination) and SISTEMAT expert systems that were both designed for the computer-assisted structure elucidation of small organic molecules. A first step has been achieved towards the linking of the SISTEMAT database with the LSD structure generator. The skeletal descriptions found by the SISTEMAT programs are now easily transferred to LSD as substructural constraints. Examples of the synergy between these expert systems are given for recently reported natural products.
dc.description.firstpage763
dc.description.issuenumber5
dc.description.lastpage770
dc.description.volume5
dc.identifier.doi10.1177/1934578x1000500517
dc.identifier.issn1555-9475
dc.identifier.urihttps://dspace.mackenzie.br/handle/10899/37268
dc.relation.ispartofNatural Product Communications
dc.rightsAcesso Aberto
dc.subject.otherlanguage2D NMR
dc.subject.otherlanguage13C NMR
dc.subject.otherlanguageComputer assisted structure elucidation
dc.subject.otherlanguageExpert systems
dc.subject.otherlanguageLSD
dc.subject.otherlanguageSISTEMAT
dc.titleNew improvements in automatic structure elucidation using the LSD (logic for structure determination) and the SISTEMAT expert systems
dc.typeArtigo
local.scopus.citations14
local.scopus.eid2-s2.0-77954110997
local.scopus.updated2024-05-01
local.scopus.urlhttps://www.scopus.com/inward/record.uri?partnerID=HzOxMe3b&scp=77954110997&origin=inward
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