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Autores
Orientador(es)
Resumo(s)
A Monte Carlo method is used in addition to functional and individual weighting to overcome multicollinearity problems in multiple linear regression equations applied as quantitative-structure-property-relationships, allowing the estimation of correct coefficient confidence intervals. The method was applied to rate constants for the Menschutkin reaction between Et3N and EtI in mono- and di-alcohols, at 25.00 ºC. Results show that the use of our methodology produces a significant improvement upon confidence interval estimates regardless of the level of collinearity present. Addition of weighting shows additional advantages, increasing the overall consistency of the regression process.
Descrição
Palavras-chave
Monte Carlo multicollinearity correlation MLR
Contexto Educativo
Citação
LEITÃO, Ruben A. Elvas – Fighting collinearity in QSPR equations for solution kinetics with the Monte Carlo method and total weighting. Journal of the Brazilian Chemical Society.. ISSN 0103-5053. Vol. 27, N.º 11 (2016), pp. 2070-2075.
Editora
Sociedade Brasileira de Química