XV Российская конференция (с международным участием) по теплофизическим свойствам веществ (РКТС-15), 15–19 октября 2018, Москва. Сборник тезисов
In recent years in the developed countries the initiatives aimed to the infrastructure organization for access to data about materials were announced and supported by the governments. In 2011 the USA started a project, called Materials Genome Initiative (MGI) . In 2014 National Data Service announced a project of creation of repository for experimental and calculated data . In 2015 EU supported a program Novel Materials Discovery Laboratory . The analogous programs were announced in Japan , China  and India . In spite of the fact that hundreds of millions of dollars are spent for these programs implementation, their results is economically profitable since they allow a reduction of costs for new materials development considerably.
For a score of reasons an access of Russian specialists to these information resources will be very restricted resulting in new materials development and implementation gap, particularly, in knowledge intensive industries. The creation of an own information infrastructure for materials science is a single these problem solution path. The experience of IMET RAS in available from the Internet databases (DBs) on inorganic substances and materials properties development and integration, together with methods and software for new substances and materials computer-assisted design based on data mining technologies  is a premise for materials infrastructure project successful accomplishment in Russia. The special Information-Analytical System (IAS) was developed in IMET RAS. It includes the virtually integrated DBs system on inorganic substances and materials properties , the subsystems for regularities search in data and new substances prediction and their properties estimation, the knowledge base and other subsystems. IAS is, some kind of, pilot project for creation of information infrastructure for inorganic materials science.
Work was supported in a part by the RFBR, projects nos. 17–07–01362 and 18–07–00080 and State task N. 007-00129-18-00.
In past years ontologies (on OWL) usage becomes popular for problem domains description and creating basis for thematic information systems (IS) integration. For example, in inorganic materials science several ontologies are known to consolidate information [1, 2]. One of their significant drawbacks is an unjustified description simplification for substance (or material).
The importance of multilevel chemical object description is shown by the example of IS developed in IMET RAS. <<Diagram>> IS (http://diag.imet-db.ru) describes phase diagrams of double and triple chemical systems. In another <<Crystal>> IS properties are described at other detail levels of chemical objects: the melting temperature is described at the substance (or compound) level, and the hardness --- at its crystal structure information level .
Thus, developing the ontology for IS information integration on inorganic substances properties, it is necessary to implement means for properties definition at different levels of chemical objects description and to ensure an automatic matching for the upper-level hierarchy properties with the current chemical object.