Comparison of Data Representation Languages in the Structure–Activity Problem


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Abstract

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.

About the authors

S. M. Gusakova

Federal Research Center Computer Science and Control, Russian Academy of Sciences

Author for correspondence.
Email: svem45@yandex.ru
Russian Federation, Moscow, 119333

D. A. Dobrinin

Federal Research Center Computer Science and Control, Russian Academy of Sciences; Russian State University for the Humanities

Author for correspondence.
Email: rabota51@mail.ru
Russian Federation, Moscow, 119333; Moscow, 125993

N. V. Kharchevnikova

Center for Strategic Planning and Management of Biomedical Health Risks, Ministry of Health of the Russian Federation

Author for correspondence.
Email: kharchevnikova_n@mail.ru
Russian Federation, Moscow, 119992

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