Comparison of Data Representation Languages in the Structure–Activity Problem

  • S. M. GusakovaEmail author
  • D. A. DobrininEmail author
  • N. V. KharchevnikovaEmail author


This paper discusses two languages for representation of chemical structures and carries out their comparative analysis for the prediction of biological activity using an intelligent JSM-system. The comparison is carried out on three data arrays in terms of the group of parameters.


chemical compound biological activity data representation language JSM system simple method with counterexamples forbidden 



This work was partially supported by the Russian Foundation for Basic Research no. 17-07-00539.


The authors declare that they have no conflict of interest.


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© Allerton Press, Inc. 2019

Authors and Affiliations

  1. 1.Federal Research Center Computer Science and Control, Russian Academy of SciencesMoscowRussia
  2. 2.Russian State University for the HumanitiesMoscowRussia
  3. 3.Center for Strategic Planning and Management of Biomedical Health Risks, Ministry of Health of the Russian FederationMoscowRussia

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