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中药分离技术是中药研发领域的关键技术,是中药制剂现代化的重要环节。计算机化学能够从中药体系的“复杂数据”中构造模型、寻找规律。该文分析了计算机化学应用到中药分离领域的适用性、技术关键、基本模式及常用算法,介绍了提取动力学的数学模型及其建立方法,研究了基于计算机化学的中药膜过程的若干问题,并展望了该研究方向的应用前景。
Chinese medicine separation technology is the key technology in the field of Chinese medicine R & D is an important part of the modernization of traditional Chinese medicine preparations. Computer chemistry can construct a model from the “complex data” of traditional Chinese medicine system to find the law. This paper analyzes the applicability, key technology, basic models and common algorithms of computer chemistry applied to the field of traditional Chinese medicine separation. The mathematical model of extraction kinetics and its establishment method are introduced. Some problems of traditional Chinese medicine membrane process based on computer chemistry are studied. And prospects for the application of the research direction.