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Deng et al., 2016 - Google Patents

A bootstrapping soft shrinkage approach for variable selection in chemical modeling

Deng et al., 2016

Document ID
7608309427182869520
Author
Deng B
Yun Y
Cao D
Yin Y
Wang W
Lu H
Luo Q
Liang Y
Publication year
Publication venue
Analytica chimica acta

External Links

Snippet

In this study, a new variable selection method called bootstrapping soft shrinkage (BOSS) method is developed. It is derived from the idea of weighted bootstrap sampling (WBS) and model population analysis (MPA). The weights of variables are determined based on the …
Continue reading at www.sciencedirect.com (other versions)

Classifications

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    • G01N21/00—Investigating or analysing materials by the use of optical means, i.e. using infra-red, visible or ultra-violet light
    • G01N21/17—Systems in which incident light is modified in accordance with the properties of the material investigated
    • G01N21/25—Colour; Spectral properties, i.e. comparison of effect of material on the light at two or more different wavelengths or wavelength bands
    • G01N21/31—Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry
    • G01N21/35—Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infra-red light
    • G01N21/3577—Investigating relative effect of material at wavelengths characteristic of specific elements or molecules, e.g. atomic absorption spectrometry using infra-red light for analysing liquids, e.g. polluted water
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    • G06F19/70—Chemoinformatics, i.e. data processing methods or systems for the retrieval, analysis, visualisation, or storage of physicochemical or structural data of chemical compounds
    • G06F19/708—Chemoinformatics, i.e. data processing methods or systems for the retrieval, analysis, visualisation, or storage of physicochemical or structural data of chemical compounds for data visualisation, e.g. molecular structure representations, graphics generation, display of maps or networks or other visual representations
    • G—PHYSICS
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    • G06F19/703—Chemoinformatics, i.e. data processing methods or systems for the retrieval, analysis, visualisation, or storage of physicochemical or structural data of chemical compounds for computer-assisted identification of chemical compounds or molecular structures, e.g. computer-assisted structure elucidation [CASE] systems
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    • G—PHYSICS
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    • G06F19/702—Chemoinformatics, i.e. data processing methods or systems for the retrieval, analysis, visualisation, or storage of physicochemical or structural data of chemical compounds for analysis and planning of chemical reactions and syntheses, e.g. synthesis design, reaction prediction, mechanism elucidation
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    • G01N21/62—Systems in which the material investigated is excited whereby it emits light or causes a change in wavelength of the incident light
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    • G01N2201/1293—Using chemometrical methods resolving multicomponent spectra

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