Drug discovery based on protein-drug molecule fingerprints patterns

Pao Yue-kong Library Electronic Theses Database

Drug discovery based on protein-drug molecule fingerprints patterns


Author: Fang, Nan
Title: Drug discovery based on protein-drug molecule fingerprints patterns
Degree: M.Sc.
Year: 2012
Subject: Drug development.
Drug development -- Computer simulation.
Hong Kong Polytechnic University -- Dissertations
Department: Dept. of Computing
Pages: vi, 64 leaves : ill. ; 30 cm.
Language: English
InnoPac Record: http://library.polyu.edu.hk/record=b2524465
URI: http://theses.lib.polyu.edu.hk/handle/200/6626
Abstract: Exploring disciplines that reflect drug-protein interactions is of significant importance in drug design. While not so much work have been done in this area until now. So much unknown knowledge need to be studied, and unlimited amount of possibility are waiting to be tested. In order to narrow the gap, we propose the method comprised of two stages combining PASW C5.0 and other mathematic algorithms and comparing programs to help to predict drug when a random new element affect exact proteins. While, up to now, not too much work has been done in this field. To fill the gap in protein-drug relationship, we propose decomposing the method into two sub-stage that performed in four core steps: (1) using PASW C5.0 algorithm to build multiple decision trees respectively, which demonstrate the relationship between all protein domains and a certain fingerprints of drugs ;(2) creating a new drug predict table based on decision trees we got from the previous step; (3) comparing the predict results table got from decision tree and the original drug table, we can get the similarity ;(4) select the corresponding drugs with high similarity. After all above performance, we can get the relationship between all protein domains and drugs.

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