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    • 1. 发明申请
    • AN ENSEMBLE METHOD AND APPARATUS FOR CLASSIFYING MATERIALS AND QUANTIFYING THE COMPOSITION OF MIXTURES
    • 用于分类材料和量化混合物组成的方法和装置
    • WO2008107465A1
    • 2008-09-12
    • PCT/EP2008/052695
    • 2008-03-05
    • NATIONAL UNIVERSITY OF IRELAND, GALWAYHENNESSY, KennethMADDEN, Michael GerardRYDER, Alan GeorgeHOWLEY, Tom
    • HENNESSY, KennethMADDEN, Michael GerardRYDER, Alan GeorgeHOWLEY, Tom
    • G01N21/65
    • G01N21/65G01N2201/1293
    • A method of and system for generating models with which to classify or quantify spectra of unknown mixtures of compounds to permit the specific identification or quantification of a target analyte in complex mixtures based on spectral data, the method comprising the steps of: providing a training set of training spectra, each spectrum representing a mixture of known compounds and each having a plurality of spectral attributes, each at a different wavelength, choosing a plurality of wavelengths, determining at least the value of the spectral attribute at each chosen wavelength in each training spectrum in the training set, and building a model for each chosen wavelength by correlating the determined attribute values at said chosen wavelength, a method and system for classifying the spectrum of a mixture of unknown compounds, and a method and system for quantifying the spectrum of a mixture of unknown compounds to determine concentrations therein, using said models.
    • 一种用于产生模型的方法和系统,其用于对化合物的未知混合物的光谱进行分类或定量,以允许基于光谱数据对复杂混合物中的目标分析物进行特异性鉴定或定量,所述方法包括以下步骤:提供训练集 训练光谱,每个光谱表示已知化合物的混合物,每个具有多个光谱属性,每个具有不同的波长,选择多个波长,至少确定每个训练光谱中每个选定波长处的光谱属性的值 在所述训练集中,并且通过将所选择的波长处的所确定的属性值相关联来构建每个选择的波长的模型,用于对未知化合物的混合物的光谱进行分类的方法和系统,以及用于量化 使用所述模型,用未知化合物的混合物测定其中的浓度。