CASPIAN JOURNAL

MANAGEMENT AND HIGH TECHNOLOGIES

DESIGN OF THE DATABASE STRUCTURE AND SOFTWARE, INTENDED FOR THE SELECTION OF ANTIDOTES TO THE GIVEN TOXICANT

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Zharkikh Lesya I., Batyrov Elvard D. DESIGN OF THE DATABASE STRUCTURE AND SOFTWARE, INTENDED FOR THE SELECTION OF ANTIDOTES TO THE GIVEN TOXICANT // Caspian journal : management and high technologies. — 2019. — №2. — pp. 101-112.

Zharkikh Lesya I. - Cand. Sci. (Engineering), Associate Professor, Astrakhan State University, lesy_g@mail.ru

Batyrov Elvard D. - undergraduate student, Astrakhan State University, elvard96@mail.ru

The paper proposes a software tool for processing the results of quantum chemical calculations of intermolecular interaction for three molecules. The software architecture, the algorithm of its work, as well as the program interfaces are given. The functions of individual program blocks are considered. The program is developed in Microsoft Visual Studio, and the database is designed in MySQL DBMS. The program code is written in the object-oriented programming language C #. The use of software is illustrated by the example of a system "protein-methionine-hydrogen sulfide". The obtained results allow to increase the efficiency of studying intermolecular interactions of three molecules.

Key words: межмолекулярное взаимодействие, алгоритм, программное обеспечение, база данных, квантово-химические расчеты, квантово-химический программный комплекс, двухкомпонентные системы, информационная система, intermolecular interaction, algorithm, software, datab