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  • Интегрированная система баз данных по свойствам неорганических веществ и материалов и ее использование для компьютерного конструирования новых соединений

Article

Интегрированная система баз данных по свойствам неорганических веществ и материалов и ее использование для компьютерного конструирования новых соединений

Киселева Н., Дударев В.А., Столяренко А.

Integrated system (IS) of databases (DB) on the properties of inorganic substances and materials that includes DBs developed by Baikov Institute (Russia) and NIMS (Japan) was created. The service-oriented architecture on the basis of Web-services application for support of interaction between heterogeneous information systems was used for DBs integrations. The special metabase is used for search for the relevant information. IS is intended for both: information service and for design of new inorganic compounds. The information-analytical system (IAS) was developed for solution of the second task. IAS includes IS, a subsystem for the data analysis, a base of the discovered regularities and a base of the obtained predictions. The results of IAS application to design of compounds promising for search for new semiconductors were considered.