Construction of an optimal immune network model based on the modified swarm algorithm

  • G. A. Samigulina Kazakh-British technical university, Institute of information and computational technologies CS MES RK
  • Zh. A. Massimkanova Kazakh-British technical university, Institute of information and computational technologies CS MES RK

Abstract

the approach of artificial immune systems, for the computer molecular design of new drugs andprediction the "structure-property/activity"relationship (QSAR) of chemical compounds is anactual problem. The article is devoted to the solution of the task of QSAR on the construction ofimmune network model based on the choice of optimal set of descriptors to facilitate the selection ofnew chemical compounds for candidate drugs with predefined properties. According to the conceptof multialgorithmic approach development of optimal immune network model and allocation ofinformative descriptors is carried out on the basis of swarm intelligence algorithms. In this workcomparison of standard particle swarm optimization algorithm (PSO) and modified inertia weightparticle swarm optimization (IWPSO) is described for selection of informative descriptors on theexample of drug compounds of the sulfanilamide group with various pharmacological activities. Thechoice of the parameters (fitness functions, population size, the number of iterations, etc.), whichdefine performance of the offered algorithms for creation of optimal set of descriptors is analysed.The results of modeling of dependence of fitness function values on the number of iterations insoftware products WEKA and Yarpiz (PSO) are given.

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Published
2018-08-29
How to Cite
SAMIGULINA, G. A.; MASSIMKANOVA, Zh. A.. Construction of an optimal immune network model based on the modified swarm algorithm. Journal of Mathematics, Mechanics and Computer Science, [S.l.], v. 98, n. 2, p. 77-87, aug. 2018. ISSN 1563-0277. Available at: <http://bm.kaznu.kz/index.php/kaznu/article/view/402>. Date accessed: 10 dec. 2018. doi: https://doi.org/10.26577/jmmcs-2018-2-402.
Keywords optimal immune network model, selection of informative descriptors, particle swarm optimization(PSO)