title: An entropy-based method for noise reduction of liquid chromatography-mass spectrometry data.
abstract: Entropy-based methods have been extensively used to measure the uncertainty information in a variety of fields. In this article, a novel information theory-based method for reducing noise of liquid chromatography-mass spectrometry (LC/MS) data was developed. The uncertainty existed in the LC/MS chromatograms was captured and evaluated by information entropy. By comparing the information entropy computationally derived from mass chromatograms, the good quality chromatograms and the noisy chromatograms can be distinguished. The proposed method was applied in processing LC/MS data of "Jing-Zhi-Guan-Xin" troche which is a well-known preparation of traditional Chinese medicine (TCM). The obtained result indicated that this method is beneficial to reduce noise of LC/MS data of complicated chemical samples, such as TCM.
authors.affiliation: College of Pharmaceutical Sciences, Pharmaceutical Informatics Institute, Zhejiang University, Hangzhou 310027, China.
authors.forename: Yunfei
authors.initials: Y
authors.lastname: Li
authors.forename: Haibin
authors.initials: H
authors.lastname: Qu
authors.forename: Yiyu
authors.initials: Y
authors.lastname: Cheng
mesh_terms: D002851:Chromatography, High Pressure Liquid; D004365:Drugs, Chinese Herbal; D019277:Entropy; D013058:Mass Spectrometry
chemical_list: D004365:Drugs, Chinese Herbal