Program for Prediction of Drug Metabolic Pathways in Human Body

Student: Bezhentsev Vladislav

Educational Programme: Software Engineering (Bachelor)

Year of Graduation: 2016

This paper is dedicated to computer-aided prediction of drug metabolic pathways in human organism. In this paper currently existing methods of computer-aided prediction of metabolic pathways were considered and their advantages and disadvantages were analyzed. Basing on conducted analysis it was concluded that a new program for computer-aided drug metabolism prediction should be developed. The program developed as a part of this work is based on an algorithm of biotransformations and their reaction atoms prediction, developed at laboratory for structure-function based drug design of institute of biomedical chemistry. The developed program was tested on 9 chemical compounds extracted from the KEGG database. The paper contains 44 pages, 3 chapters, 15 illustrations, 2 tables, 4 appendices.

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