Predictive and mechanistic multivariate linear regression models for reaction development.
Chem Sci
; 9(9): 2398-2412, 2018 Mar 07.
Article
en En
| MEDLINE
| ID: mdl-29719711
ABSTRACT
Multivariate Linear Regression (MLR) models utilizing computationally-derived and empirically-derived physical organic molecular descriptors are described in this review. Several reports demonstrating the effectiveness of this methodological approach towards reaction optimization and mechanistic interrogation are discussed. A detailed protocol to access quantitative and predictive MLR models is provided as a guide for model development and parameter analysis.
Texto completo:
1
Colección:
01-internacional
Base de datos:
MEDLINE
Tipo de estudio:
Prognostic_studies
/
Risk_factors_studies
Idioma:
En
Revista:
Chem Sci
Año:
2018
Tipo del documento:
Article