The successive projections algorithm
The successive projections algorithm
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DOI：
10.1016/j.trac.2012.09.006
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发表时间：
2013-01-01
影响因子：
13.1
通讯作者：
Harrop Galvao, Roberto Kawakami
中科院分区：
文献类型：
--
作者：
Carreiro Soares, Sofacles Figueredo;Gomes, Adriano A.;Harrop Galvao, Roberto Kawakami
连续投影算法 (SPA) 是一种变量选择技术，在过去 10 年中引起了分析化学界越来越多的兴趣。本综述介绍了多元线性回归 (MLR) 和线性判别分析 (LDA) 的 SPA 的基本特征，并报告了为样本选择、校准转移以及定量构效关系 (QSAR) 和定量构效关系 (QSPR) 研究提出的一些变体。我们还讨论计算和预处理问题。作为说明，我们提出了两个案例研究，涉及小麦中蛋白质的近红外测定和植物油的伏安分类。我们可以根据要求免费提供本文中使用的代码。 (c) 2012 Elsevier Ltd. 保留所有权利。
The successive projections algorithm (SPA) is a variable-selection technique that has attracted increasing interest in the analytical-chemistry community in the past 10 years. The present review presents the basic features of SPA for Multiple Linear Regression (MLR) and Linear Discriminant Analysis (LDA) and reports some variants that have been proposed for sample selection, calibration transfer and Quantitative Structure-Activity Relationship (QSAR) and Quantitative Structure-Property Relationship (QSPR) studies. We also discuss computational and pre-processing issues. By way of illustration we present two case studies involving near-infrared determination of protein in wheat and voltammetric classification of vegetable oils. The code employed in this article is freely available from us upon request. (c) 2012 Elsevier Ltd. All rights reserved.