Scientific Visualization, 2018, volume 10, number 3, pages 133 - 143, DOI: 10.26583/sv.10.3.10
Visualisation of the organic compounds' structural graphs generated upon the user's query
Authors: V.V. Bondar1,A, E.G. Vinokurov2,A,B, V.P. Meshalkin3,B,C, L.A. Grigoryan4,A
A All-Russian Institute of Scientific and Tecnical Information of the Russian Academy of Sciences
B D. Mendeleyev University of Chemical Technology of Russia
C Kurnakov Institute of General and Inorganic Chemistry of the Russian Academy of Sciences
1 ORCID: 0000-0002-6708-9025, Levgr2@yandex.ru
2 ORCID: 0000-0002-5376-0586
3 ORCID: 0000-0001-6956-6705
4 ORCID: 0000-0002-6535-6185
Abstract
The complex of programs for visualization of the structural graphs of organic compounds generated upon the user's query is presented. The architecture of the complex of programs is described. The procedures of the linguistic analysis of the structural chemical data are discussed, involving the chemical morphemes classification and the context rules of the shortening grammar. The applied relevance of the programs' complex is underlined. The number of examples of visualisation of the structural graphs referred to the different chapters of the IUPAC organic chemicals nomenclature is presented.
Keywords: structure graph, chemical nomenclature, data analysis, scientific visualization, applied program.
