拉曼光谱
化学
人工智能
模式识别(心理学)
卷积神经网络
分析化学(期刊)
鉴定(生物学)
生物系统
计算机科学
光学
色谱法
物理
植物
生物
作者
Weilai Lu,Xiuqiang Chen,Lu Wang,Hanfei Li,Yu Fu
标识
DOI:10.1021/acs.analchem.9b04946
摘要
Raman spectroscopy is a nondestructive, label-free, highly specific approach that provides the chemical information on materials. Thus, it is suitable to be used as an effective analytical tool to characterize biological samples. Here we introduce a novel method that uses artificial intelligence to analyze biological Raman spectra and identify the microbes at a single-cell level. The combination of a framework of convolutional neural network (ConvNet) and Raman spectroscopy allows the extraction of the Raman spectral features of a single microbial cell and then categorizes cells according to their spectral features. As the proof of concept, we measured Raman spectra of 14 microbial species at a single-cell level and constructed an optimal ConvNet model using the Raman data. The average accuracy of classification by ConvNet is 95.64 ± 5.46%. Meanwhile, we introduced an occlusion-based Raman spectra feature extraction to visualize the weights of Raman features for distinguishing different species.
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