基于本体的化学数据资源集成系统设计及应用

The architecture design for chemistry data integration by ontology technology and its application

大量分布式异构化学数据资源的集成以及数据应用对个性化数据集成的需求是化学数据资源集成共享面临的2个问题。本文根据化学数据资源的特点,建立了Chem DR本体,实现了数据资源的顶级抽象。在此基础上结合化学主题数据库的具体需求建立了Chem DR的子本体Onto Chem DB,实现了集成资源的语义环境搭建。在以上本体模型的指导下,本文设计并搭建了化学数据资源集成系统。该资源集成系统主要分为,面向数据的集成和面向数据应用的集成2个模块,实现了本地和Web化学数据资源的集成,并为数据与具体应用的集成及面向应用的个性数据集成提供了开发接口。本文以本地量化计算热化学数据资源在化学主题数据库的集成为例,描述了系统集成新数据源和集成数据展示功能,结果表明本系统有较好的扩展性和易维护性。

For the successful chemistry data integration, how to integrate the massively distributed heterogeneous data resources and how to organize the exact data aggregation for a specific application are two challenges. The paper proposed architecture for chemistry data resources by ontology technology. According to the characteristic of chemistry data, the paper designed an ontology model consisting of two ontologies, Chem DR and OntoC hemD B, which work as the core of the semantic environment for the chemistry data integration system. The whole system consists of two modules, data-oriented integration module and application-oriented integration module. Based on these two modules, the integration of the local data and Web data sources and also the interfaces for development of the application-oriented integration were developed. Additionally, the paper integrated the local data source, quantitative calculation of thermochemical database, as an example, to show the process integrating a new data source, at same time, which also showed the extendibility and maintainability of the integration system in some degree.