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TECHNOLOGY OF INTELLIGENT AGENTS IN THE PREDICTION OF PHYSICAL AND CHEMICAL PROPERTIES OF ORGANIC MOLECULES

Tumanov V.E, Prokhorv A.I, Soloveva M.E
The architecture of cloud computing and multi-agent software technologies for the scientific subject-oriented knowledge system in physical chemistry of radical reactions is presented in article; the description of its functionality is given. Electronic collections of physical and chemical properties of organic compounds which combined in the system allow to set and to achieve objectives of extraction of new knowledge about the properties of these compounds. The destination of intelligent agents to solve the prediction of physical and chemical properties of organic molecules on base of experimental data and their place in the architecture of the system is described. The example of the development of intelligent software agents to predict the reactivity of molecules by means of a fuzzy knowledge base is adduced. First attempt was made to identify the dependence of the classical potential barrier for phenyl radical reactions with hydrocarbons by means of the fuzzy knowledge base which was constructed on the basis of quantitative and qualitative parameters of the radical reactions.

Библиографическая ссылка

Туманов В.Е, Прохоров А.И, Соловьева М.Е ТЕХНОЛОГИЯ ИНТЕЛЛЕКТУАЛЬНЫХ АГЕНТОВ В ПРЕДСКАЗАНИИ ФИЗИКО-ХИМИЧЕСКИХ СВОЙСТВ ОРГАНИЧЕСКИХ МОЛЕКУЛ // Научное обозрение. Химические науки. 2020. № 1. С. 34-34;
URL: https://science-chemistry.ru/en/article/view?id=46 (дата обращения: 27.07.2026).