Identification of structures of organic substances by means of complex-valued perceptron

  • Authors:
  • R. M. Akhmetsin;V. M. Giniyatullin;S. A. Kirlan

  • Affiliations:
  • Ufa State Petroleum Technological University, Ufa, Russia 450062;Ufa State Petroleum Technological University, Ufa, Russia 450062;Research Institute of herbicides, Ufa, Russia 450065

  • Venue:
  • Optical Memory and Neural Networks
  • Year:
  • 2012

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Abstract

We consider two ways of identification of structures of chemical compounds--software SARD-21 and the complex-valued perceptron. Results of computational experiments showed the advantage of a neural network. In addition the complex-valued perceptron can produce meaningful recommendations for the synthesis of new compounds.