Application of the Artificial Neural Networks and Fuzzy Logic for the Prediction of Reactivity of Molecules in Radical Reactions

  • V. E. TumanovEmail author
Part of the Lecture Notes in Electrical Engineering book series (LNEE, volume 307)


This paper discusses the use of feed-forward artificial neural network to predict the reactivity of organic molecules in the bimolecular radical reactions in the liquid phase and the use of the fuzzy knowledge base to identify the empirical dependence of the activation energy of reactions phenyl radical (C6Hº 5, 4-CH3–C6Hº 5, 4-Br–C6Hº 5, 4-Cl–C6Hº 5 etc.) with hydrocarbons in the liquid phase from thermochemical data. Also artificial neural network was used to predict the values of C–H bonds dissociation energies of hydrocarbons on experimental data of radical reactions Rº + RH.


Feed-forward artificial neural network Subject-oriented science intelligence system Reactivity of organic molecules Radical reaction Fuzzy knowledge base Rate constant Activation energy Bond dissociation energy 


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Copyright information

© Springer International Publishing Switzerland 2014

Authors and Affiliations

  1. 1.Laboratory of Information Support for ResearchInstitute of Problems of Chemical Physics RASChernogolovkaRussian Federation

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