Geodesic
Data Mining algorithms in search of effective conditions for conducting chemical reactions
Vestnik Tverskogo gosudarstvennogo universiteta. Seriâ Prikladnaâ matematika, no. 4 (2021), pp. 29-42

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At present, a significant amount of experimental data has been accumulated, recording the process of the occurrence of chemical reactions. Analysis of these data by a set of Data Mining algorithms provides important practical information for finding effective conditions for carrying out reactions, at which the maximum amount of the target product is obtained at minimal cost. In this paper, using the example of working with a database containing data on the course of the carbonylation reaction of various olefins, it is shown how the software package developed by us allows us to extract useful knowledge that contributes to an increase in the efficiency of chemical reactions.
Keywords: Data Mining, decision trees, regression trees, chemical reactions.
Mots-clés : association rules 
@article{VTPMK_2021_4_a2,
     author = {V. A. Billig and N. V. Zvyagintsev},
     title = {Data {Mining} algorithms in search of effective conditions for conducting chemical reactions},
     journal = {Vestnik Tverskogo gosudarstvennogo universiteta. Seri\^a Prikladna\^a matematika},
     pages = {29--42},
     publisher = {mathdoc},
     number = {4},
     year = {2021},
     language = {ru},
     url = {http://geodesic.mathdoc.fr/item/VTPMK_2021_4_a2/}
}
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V. A. Billig; N. V. Zvyagintsev. Data Mining algorithms in search of effective conditions for conducting chemical reactions. Vestnik Tverskogo gosudarstvennogo universiteta. Seriâ Prikladnaâ matematika, no. 4 (2021), pp. 29-42. http://geodesic.mathdoc.fr/item/VTPMK_2021_4_a2/