Abstract: The data model is needed for implementation of the information system in domain of quantitative spectroscopy is represented. The extended makeup language (XML) was used for description of the data model. The entities and relations of two domains “Substance” and “Quantitative molecular spectroscopy” are in the focus of our interest. Under the specifications of data semantics only the datatype properties were used.

Abstract: This paper examines in details the results of the work has done in Ref [1]. The solution properties of "Quantitative spectroscopy" domain tasks article are described. OWL DL language is used for the presentation of the properties of tasks' solutions. An applied information sources' ontology on the solutions of direct and inverse tasks on the determination of vacuum wavenumbers in molecular spectroscopy of carbon dioxide and its isotopologues is demonstrated as an example. It is shown that the creation of the information sources characterizing tasks solutions' properties allows one to classify the solutions of quantitative spectroscopy tasks and to organize semantic search of valid data in publications. A short description of peculiarities of the table method used in FACT++ inference engine is presented.

Abstract: Middleware and applied software for the development of information-computational three-layer architecture system on molecular spectroscopy is described. The article is mainly focused on applied software of information layer and knowledge layer. It also describes basic classes and packages of classes used for the realization of software solutions of dozens of information tasks related to import, comparison, representation and decomposition of data sources as well as representing publications' models in quantitative spectroscopy.

Abstract: Annotating the information resources in the frame of XML platform is a topical problem. The formation of knowledge base on the basis of formal statements allows one to process semantically the contents of information resources distributed in the Internet with help of the reasoners. In this paper the approach to description of molecular spectroscopy information resources is described.