Data mining in chemometrics: sub-structures learning via peak combinations searching in mass spectra

doi:10.6339/JDS.2003.01(4).178

科研成果详情

发表状态	已发表Published
题名	Data mining in chemometrics: sub-structures learning via peak combinations searching in mass spectra
作者	Tang, Yu 1,2; Liang, Yizeng 3; Fang, Kaitai1
发表日期	2003
发表期刊	Journal of Data Science
ISSN/eISSN	1680-743X
卷号	1 期号:4 页码:481-496
摘要	In this paper, a new approach of finding sub-structures in chemical compounds by searching peak combinations in mass spectra is given. Based on these peak combinations, further identification and classification methods are also proposed. As an application of these methods, saturated Alcohol and Ether are classified efficiently by using a variable selection method.
关键词	Mass spectra peak combination sub-structure variable selection
DOI	10.6339/JDS.2003.01(4).178
URL	查看来源
语种	英语English
引用统计	被引频次[WOS]：0 [WOS记录] [WOS相关记录]
文献类型	期刊论文
条目标识符	https://repository.uic.edu.cn/handle/39GCC9TT/5167
专题	个人在本单位外知识产出
作者单位	1.Department of Mathematics, Hong Kong Baptist University, Hong Kong, P. R. China 2.Suzhou University 3.College of Chemistry and Chemical Engineering, Central South University, Changsha, P. R. China
推荐引用方式 GB/T 7714	Tang, Yu,Liang, Yizeng,Fang, Kaitai. Data mining in chemometrics: sub-structures learning via peak combinations searching in mass spectra[J]. Journal of Data Science, 2003, 1(4): 481-496.
APA	Tang, Yu, Liang, Yizeng, & Fang, Kaitai. (2003). Data mining in chemometrics: sub-structures learning via peak combinations searching in mass spectra. Journal of Data Science, 1(4), 481-496.
MLA	Tang, Yu,et al."Data mining in chemometrics: sub-structures learning via peak combinations searching in mass spectra". Journal of Data Science 1.4(2003): 481-496.