Chemical structural characterization of some components from essential oil of Rosa banksiae for estimation and prediction of their retention time / 中国中药杂志
China Journal of Chinese Materia Medica
;
(24): 609-611, 2008.
Artigo
em Chinês
| WPRIM
| ID: wpr-284434
ABSTRACT
The molecular electronegativity-distance vector (MEDV) was used to describe the chemical structural characterization of 46 components of essential oils in the flower of Rosa banksiae. Various multiple linear regression (MLR) models were created with variable screening by the stepwise multiple regression technique and statistics. The QSRR models of 10 and 6 variables were built by MLR with the correlation coefficients (R) of molecular modeling being 0.906 and 0.903. Cross-validation of the models, which contain selected vectors were performed by leave-one -out procedure (LOO) and the satisfied results with correlation coefficients (Rcv) of 0.904 and 0.903, respectively. The results showed that the models constructed can provide estimation stability and favorable predictive ability.
Texto completo:
DisponíveL
Índice:
WPRIM (Pacífico Ocidental)
Assunto principal:
Plantas Medicinais
/
Óleos Voláteis
/
Estrutura Molecular
/
Modelos Lineares
/
Química
/
Análise de Regressão
/
Relação Quantitativa Estrutura-Atividade
/
Rosa
/
Flores
Tipo de estudo:
Estudo diagnóstico
/
Estudo prognóstico
Idioma:
Chinês
Revista:
China Journal of Chinese Materia Medica
Ano de publicação:
2008
Tipo de documento:
Artigo
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