A Non‐Linear Model for Multiple Alcohol Intakes and Optimal Designs Strategies

IF 2.3 4区 化学 Q1 SOCIAL WORK Journal of Chemometrics Pub Date : 2024-08-27 DOI:10.1002/cem.3599
Irene Mariñas‐Collado, Juan M. Rodríguez‐Díaz, M. Teresa Santos‐Martín
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Abstract

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.
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多种酒精摄入量的非线性模型和最佳设计策略
这项研究探讨了酒精在人体内消除的复杂动态,这在法医和医疗保健领域非常重要。现有的模型往往过于简化,假定其为线性消除动力学,从而限制了实际应用。本研究提出了一种新的非线性模型,用于估计多次摄入后血液中的酒精浓度。该模型最初是针对两种不同的酒精摄入量而开发的,可以直接扩展到更多摄入量的情况。研究强调了精确参数估计的重要性,并强调了利用最优实验设计(OED)方法进行精确实验设计的重要性。对模型系数的敏感性分析和 D-最优设计的确定,考虑到了观测数据之间的相关结构,揭示了支持点之间强烈的线性关系。利用这种关系可以获得近乎最优的设计,这种设计效率高,而且更容易计算。
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来源期刊
Journal of Chemometrics
Journal of Chemometrics 化学-分析化学
CiteScore
5.20
自引率
8.30%
发文量
78
审稿时长
2 months
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.
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