针对大环内酯类抗生素罗红霉素制剂的近红外光谱分析,利用后向区间偏最小二乘算法(biPLS)对全光谱进行波长区间选择预处理,并将其压缩为主成分,再利用BP人工神经网络(BP-ANN)建立预测模型,对其中的主要成分罗红霉素和乳糖进行预测.通过这个方法建立的模型,可以有效地抵御因为噪声等偶然因素引起的瞬时扰动,并在有效减少建模所用的波长数和建模运算时间的同时,使所建模型能达到较高的预测精度.为近红外快速在线同时检测药物多组分含量提供了新的参考方法.

In the prediction of main components in a macrolide antibiotics-roxithromycin by the near infrared spectrometry,the algorithm of back-ward interval partial least square (biPLS) was used in the pretreatment of selection of wavelength interval from the whole near infrared spectrum,and in obtaining the principal components,a prediction model based on these selected data,was then established by using the BP artificial neural network (BP-ANN).Amounts of the main components of roxithromycin itself and lactose were predicted by the established model.The specialties of this prediction model were its efficient resistance against the instant disturbances due to accidental factors,such as the noise signal and etc.,and its high precision of prediction with effective decrease of wavelength number and less time for calculation simultaneously.It was shown by experimental results that by the use of this model,not only the predicted results were quite satisfactory,but also the presented method was feasible to be used in the rapid on-line analysis of multi-componental pharmaceuticals in the process of manufacturing.