| 题名 |
Data Mining in Chemometrics: Sub-structures Learning via Peak Combinations Searching in Mass Spectra |
| DOI |
10.6339/JDS.2003.01(4).178 |
| 作者 |
Yu Tang；Yi-Zeng Liang；Kai-Tai Fang |
| 关键词 |
Mass spectra ； peak combination ； sub-structure ； variable selection |
| 期刊名称 |
Journal of Data Science |
| 卷期/出版年月 |
1卷4期（2003 / 10 / 01） |
| 页次 |
481 - 496 |
| 内容语文 |
英文 |
| 英文摘要 |
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. |
| 主题分类 |
基礎與應用科學 >
資訊科學 基礎與應用科學 > 統計 |
