中药组成分资源和实验数据库研究  

Resource and Assay Library for Components and Substances of Traditional Chinese Medicine

作　　者：李建华[1,2] 刘智超[1] 郑建丽 石泽智 范蜜 李洪林 LI Jian-hua;LIU Zhi-chao;ZHENG Jian-li;SHI Ze-zhi;FAN mi;LI Hong-lin(School of Information Science and Engineering,East China University of Science and Technology,Shanghai 200237,China;Shanghai Key Laboratory of New Drug Design,East China University of Science and Technology,Shanghai 200237,China)

机构地区：[1]华东理工大学信息科学与工程学院,上海200237 [2]华东理工大学上海市新药设计重点实验室,上海200237

出　　处：《华东理工大学学报（自然科学版）》2018年第6期901-908,共8页Journal of East China University of Science and Technology

基　　金：国家科技重大专项(2011ZX09307-002-03);上海市新药设计重点实验室开放课题(17DZ2271000)

摘　　要：目前已有的中药数据库缺乏中药组成分资源间的有效关联和实验支持。为此,针对植物类中药组成分,设计了一个面向组成分的资源和实验数据库。首先抽取关键的资源和实验数据,将其分为资源数据、实验能力数据和实验数据;然后定义各类数据内的实体以及实体间的关系,构建资源和实验统一数据模型;最后基于此模型实现了基于Web的中药组成分资源和实验数据库。测试实验表明,该数据库能有效地管理中药组成分资源和支持基于相关资源的实验。In traditional Chinese medicine(TCM)dataset,there do not exist effective resource association and experiment support such that the research and development of components and substances of TCM are hindered.In order to manage and utilize the resource and experiment data and samples of TCM effectively,this paper proposes a resource and assay library for components and substances of TCM,in which a new class of data,i.e.,assay template data,are defined to enhance the association of resource and experiment.Firstly,all of the key data involved in resource management and experiment support are extracted and classified into three categories of data:resource data,assay template data,and experiment data.And then,the entities in these data and their relations among these entities are defined to generate a unified resource and experimental data model for components and substances of TCM.This unified model integrates all resource data,assay template data,and experiment data into one unified data network,which can provide the representation of data for experiment support and resource management.Finally,based on the unified model,a Web-based resource and assay library and its management system for components and substances of TCM are developed.It is shown from several experiments that this proposed scheme can achieve the effective management of the resource data and provide experiment support for the components and substances of TCM.

关 键 词：中药 组成分 数据建模 资源和实验库 

分 类 号：TP319[自动化与计算机技术—计算机软件与理论] R932[自动化与计算机技术—计算机科学与技术]