QSPR Models of β-dihydroagarofuran derivatives: exploring lead compounds for pesticides

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MetadadosDescriçãoIdioma
Autor(es): dc.creatorCunha, Elaine Fontes Ferreira da-
Autor(es): dc.creatorSilva, Daniela Rodrigues-
Autor(es): dc.creatorSantos-Garcia, Letícia-
Autor(es): dc.creatorAssis, Letícia Cristina-
Autor(es): dc.creatorAssis, Tamiris Maria de-
Autor(es): dc.creatorGajo, Giovanna Cardoso-
Autor(es): dc.creatorRamalho, Teodorico Castro-
Data de aceite: dc.date.accessioned2026-02-09T11:51:53Z-
Data de disponibilização: dc.date.available2026-02-09T11:51:53Z-
Data de envio: dc.date.issued2019-09-27-
Data de envio: dc.date.issued2019-09-27-
Data de envio: dc.date.issued2017-
Fonte completa do material: dc.identifierhttps://repositorio.ufla.br/handle/1/36967-
Fonte completa do material: dc.identifierhttps://www.igi-global.com/article/qspr-models-of--dihydroagarofuran-derivatives/181615-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1149137-
Descrição: dc.descriptionThe use of chemical pesticides, although the most effective method for controlling insects, may in the long-term result in pest resistance development as well as it may impact on food quality, the environment and human health. Therefore, the botanical insecticides are interesting alternatives to minimize these undesirable effects, including a secondary metabolite in the Celastraceae family. Thus, a QSPR study was conducted for ß-dihidroagarofuran derivatives with pesticide properties in order to identify features that may improve the potency thereof. The best model obtained from alignment 3 showed values of Q2=0.657, R2=0.757, R2p=0672 and R2m(test)=0.509, indicating good predictive ability and statistical robustness. Moreover, the descriptors presented important pharmacophore groups for the development of new pesticides.-
Idioma: dc.languageen-
Publicador: dc.publisherIGI Global-
Direitos: dc.rightsrestrictAccess-
???dc.source???: dc.sourceInternational Journal of Quantitative Structure-Property Relationships-
Título: dc.titleQSPR Models of β-dihydroagarofuran derivatives: exploring lead compounds for pesticides-
Tipo de arquivo: dc.typeArtigo-
Aparece nas coleções:Repositório Institucional da Universidade Federal de Lavras (RIUFLA)

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