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Computer-Aided Design of Chemical Compounds with Controlled Properties |
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| Authors: | Germashev I. V. Derbisher V. E. Tsapleva M. N. Derbisher E. V. |
| Affiliation: | (1) Volgograd Pedagogical College, Volgograd, Russia;(2) Volgograd State Technical University, pr. Lenina 28, Volgograd, 400066, Russia;(3) Volzhskii Polytechnic Institute, Volgograd State Technical University, ul. Engel'sa 42a, Volzhskii, Volgograd oblast, 404121, Russia |
| Abstract: | A problem of designing chemical compounds with controlled properties is considered. An algorithm for computer solution of the problem is presented, and its complexity is evaluated. Software implementation of the proposed approach allows one to perform the automated design of virtual chemical compounds with controlled properties and to plan their synthesis and use. |
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