Irene Mariñas‐Collado, Juan M. Rodríguez‐Díaz, M. Teresa Santos‐Martín
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A Non‐Linear Model for Multiple Alcohol Intakes and Optimal Designs Strategies
This study addresses the complex dynamics of alcohol elimination in the human body, very important in forensic and healthcare areas. Existing models often oversimplify with the assumption of linear elimination kinetics, limiting practical application. This study presents a novel non‐linear model for estimating blood alcohol concentration after multiple intakes. Initially developed for two different alcohol incorporations, it can be straightforwardly extended to the case of more intakes. Emphasising the significance of accurate parameter estimation, the research underscores the importance of precise experimental design, utilising optimal experimental design (OED) methodologies. Sensitivity analysis of model coefficients and the determination of D‐optimal designs, considering correlation structures among observations, reveal a strong linear relationship between support points. This relationship can be used to obtain nearly optimal designs that are highly efficient and much easier to compute.
期刊介绍:
The Journal of Chemometrics is devoted to the rapid publication of original scientific papers, reviews and short communications on fundamental and applied aspects of chemometrics. It also provides a forum for the exchange of information on meetings and other news relevant to the growing community of scientists who are interested in chemometrics and its applications. Short, critical review papers are a particularly important feature of the journal, in view of the multidisciplinary readership at which it is aimed.