title: [Application of wavelength selection algorithm to measure the effective component of Chinese medicine based on near-infrared spectroscopy].
abstract: Near infrared (NIR) spectroscopy has raised a lot of interest in the pharmaceutical industry because it is a rapid and cost-effective analytical type of spectroscopy with no need for extensive sample preparation, and with the easy-realizable ability of on-line application. The NIR technology can increase the quality control standard of the Chinese medicine and accelerate the entry into the international market. In the present paper, two methods for wavelength selection are applied to the measurement of borneol, one of which is the multiple-chain stepwise, which tends to select many variables in the same area containing valuable information, and the other is the mixture genetic algorithm, which incorporates simulated annealing so as to improve the local searching ability while maintaining the global searching ability. The results present that the number of wavelength is reduced to 16% compared with the original number of wavelength, and the prediction accuracy has increased 47.6%. Therefore, the method of wavelength selection is a good way to enhance the prediction accuracy and simplify the model in NIR region.
authors.affiliation: State Key Laboratory of Precision Measuring Technology and Instruments, Tianjin University, Tianjin 300072, China.
authors.forename: Xiao-Yu
authors.initials: XY
authors.lastname: Gu
authors.forename: Ke-Xin
authors.initials: KX
authors.lastname: Xu
authors.forename: Yan
authors.initials: Y
authors.lastname: Wang
mesh_terms: D000465:Algorithms; D004365:Drugs, Chinese Herbal / Q000032:analysis / Q000737:chemistry / Q000592:standards; D008516:Medicine, Chinese Traditional / Q000592:standards*; D019265:Spectroscopy, Near-Infrared / Q000379:methods*
chemical_list: D004365:Drugs, Chinese Herbal