基于数据科学的中药膜过程研究的思考与实践

Thoughts and practices on studies of membrane processes for Chinese materia medica based on data science

"数据科学"是关于数据的科学,其宗旨为探索数据界奥秘的理论、方法和技术。鉴于中药膜分离过程是一个非线性系统,其工艺数据具有多变量、非线性、强噪声、自变量相关、非正态分布、非均匀分布等全部或部分特征,"数据科学"已成为中药膜过程复杂系统探索、技术创新的重要武器。"数据科学"引入中药膜科技领域的技术关键:(1)可精准表征中药膜过程传质的特征技术体系的建立;(2)"分子模拟"技术对膜传质过程的动态描述;(3)计算流体力学在膜领域的应用;(4)强大、先进的数据处理技术。并以课题组多年开展的基于数据科学的中药膜过程研究为实例进行阐述。

Data science is a form of data-oriented science,which serves as a set of theories,methodologies and technologies for data exploration and analysis.Considering that membrane separation process for Chinese materia medica(CMM)manufacturing is a non-linear system,the data obtained regarding its process can be either multivariate,non-linear,strong noise,non-normally distributed,or non-evenly distributed.Due to the special features of data science,research has shed lights on its application in the scientific exploration and technological innovation in the complex membrane processes based on CMM system.There are a few key aspects of data science that are worth mentioning,making it competent as an analytical tool for CMM manufacturing integrated membrane processes.They can be recognized as the following,such as(1)the ability to precisely describe the mass transfer properties of CMM integrated membrane processes;(2)the dynamic description of membrane mass transfer process by molecular simulation;(3)the application of computational fluid dynamics simulation in membrane technology,and(4)the powerful and advanced data processing technology.This paper also reviewed some real case studies encountered by the authors during the investigation of membrane technology for CMM manufacturing based on data science.