Semantic Analysis Of Chemical Knowledge Description In UDLC

At present, computational chemistry has been an important branch of chemistry and more and more chemists do their research by computation.Chemists need to master a variety of different forms of scripting language to do their research, it is a great burden for chemists to maintain and use so many scripting languages. In order to improve the efficiency of research, there have to be a unified standard of scripting language in chemistry. In addition, with the rapid development of grid, chemical research environment based on grid has been paid more and more attention. Therefore, designing and developing a chemist-oriented Unified job-Description Language on Chemical-grid (UDLC) is an urgent problem. The semantic parsing is very important during the design and implementation of UDLC, and it is a meaningful research topic with good theoretical and applied value.This paper describes the semantic analysis of chemical knowledge description in UDLC. At first, the paper presents the research background of this research topic from the perspective of computational chemistry and grid, and describes the related status quo in terms of chemical knowledge and semantic analysis. Secondly, the paper analyses the history of chemical knowledge description, and sums up the characteristics and methods of chemical knowledge description via SMARTS, Chemical Terms and the CML.Again, the article summarizes the results of compiling theory, outlines methods of syntax and semantic analysing in high-level language and a tool-ANTLR. For the special requirements of chemical knowledge description in UDLC, the paper introduces the method of semantic analysis and bulids the the map between UDLC and CML in the fourth chapter. Finally, the paper describes the overall structure, system boundary, details in implementation, and demonstration in the transformation middleware system-UDLCMapper..