The Cambridge Crystallographic Data Centre (CCDC). The website of the Dial-a-Molecule EPSRC Grand Challenge Network. Peplow, M.: Chemistry’s grand challenges. Li, J., Peng, Z., Wang, E.: Tackling grand challenges of the 21st century with electroanalytical chemistry. James, T.D.: Specialty grand challenges in supramolecular chemistry. Manley, J.B., Anastas, P.T., Cue Jr, B.W.: Frontiers in green chemistry: meeting the grand challenges for sustainability in R&D and manufacturing. Gettys, N.S.: Challenges for chemistry in the 21st century: report on the American chemical society presidential event. The formalization and properties analysis is considered using the insertion modeling platform. The experiment’s results of applying the proposed approach to modeling atoms interaction (creating of atomic bonds - valence method), constructing the electronic configuration of the molecule/substance (molecular orbitals method), and calculating their main parameters are given. In particular, the article describes the results of the first steps of building a tool for the study of molecular, and in particular, biomolecular interaction, based on the formalism of behavioral algebra and insertion modeling. The authors considered the algebraic approach to modeling molecular interactions in some environments to determine the triggering of the studied properties. A brief review of molecular modeling methods and specialized software and their use for creating and researching molecular models was considered.
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