The Application of Multilinear Regression Model for Quantitative Analysis on the Basis of Excitation-Emission Matrix Spectra and the Release of a Free Graphical User Interface

Abstract

Multivariate regression is a fundamental supervised chemometric method for developing the relationship between the independent variables and quantitative response, and it has been widely applied for data analysis in many research fields. In this study, we propose an effective method for the quantitative determination of target compounds in traditional Chinese medicine, specifically Mongolia, using excitation-emission matrix (EEM) spectra with partial overlap. The accuracy and reliability of the established model have been validated, demonstrating that the proposed method can realize the accurate quantitative analysis purpose. In order to facilitate the calculation easier, the authors have developed a friendly graphical user interface (GUI). The GUI offers the procedures for data imputation, model establishment, model optimization and results presentation.

Keywords

• EEM
• multivariate regression
• quantitative analysis
• graphical user interface