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The Ontological Approach in Organic Chemistry Intelligent System Development

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Fourth International Congress on Information and Communication Technology

Abstract

The amount of knowledge in organic chemistry grows exponentially inducing a need for robust intelligent systems that can promote the process of R&D. Although the methods of intelligent system design vary significantly juxtaposing expert systems, neural networks, genetic algorithms, and fuzzy logic, effective intelligent system development can start only after answering the following essential questions: “How is the application area structured? What is its ontology?”. Ever since the DENDRAL Project, the challenge of knowledge representation has been embraced by the scientific community. The notion of ontology has appeared in knowledge engineering delivering a possible solution. As the practice shows, taxonomies provide little expressiveness. Therefore, we suggest that the ontological approach advocates consider applied logic methodology. This framework proposes that complex-structured domains, such as organic chemistry, be represented as interconnected modules of applied logic theories. Employing the described technique, we introduce the model of organic chemistry intelligent system. Most special aspects of this methodology are depicted together with a historical overview of intelligent systems and the roots of knowledge representation models.

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Correspondence to Karina A. Gulyaeva .

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Gulyaeva, K.A., Artemieva, I.L. (2020). The Ontological Approach in Organic Chemistry Intelligent System Development. In: Yang, XS., Sherratt, S., Dey, N., Joshi, A. (eds) Fourth International Congress on Information and Communication Technology. Advances in Intelligent Systems and Computing, vol 1027. Springer, Singapore. https://doi.org/10.1007/978-981-32-9343-4_7

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  • DOI: https://doi.org/10.1007/978-981-32-9343-4_7

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