Prediction of Substrate-Enzyme-Product Interaction Based on Molecular Descriptors and Physicochemical Properties
Joint Authors
Huang, Tao
Niu, Bing
Zheng, Linfeng
Wang, Xueyuan
Chen, Fuxue
Zhang, Yuhui
Huang, Guohua
Source
Issue
Vol. 2013, Issue 2013 (31 Dec. 2013), pp.1-7, 7 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2013-12-22
Country of Publication
Egypt
No. of Pages
7
Main Subjects
Abstract EN
It is important to correctly and efficiently predict the interaction of substrate-enzyme and to predict their product in metabolic pathway.
In this work, a novel approach was introduced to encode substrate/product and enzyme molecules with molecular descriptors and physicochemical properties, respectively.
Based on this encoding method, KNN was adopted to build the substrate-enzyme-product interaction network.
After selecting the optimal features that are able to represent the main factors of substrate-enzyme-product interaction in our prediction, totally 160 features out of 290 features were attained which can be clustered into ten categories: elemental analysis, geometry, chemistry, amino acid composition, predicted secondary structure, hydrophobicity, polarizability, solvent accessibility, normalized van der Waals volume, and polarity.
As a result, our predicting model achieved an MCC of 0.423 and an overall prediction accuracy of 89.1% for 10-fold cross-validation test.
American Psychological Association (APA)
Niu, Bing& Huang, Guohua& Zheng, Linfeng& Wang, Xueyuan& Chen, Fuxue& Zhang, Yuhui…[et al.]. 2013. Prediction of Substrate-Enzyme-Product Interaction Based on Molecular Descriptors and Physicochemical Properties. BioMed Research International،Vol. 2013, no. 2013, pp.1-7.
https://search.emarefa.net/detail/BIM-1030773
Modern Language Association (MLA)
Niu, Bing…[et al.]. Prediction of Substrate-Enzyme-Product Interaction Based on Molecular Descriptors and Physicochemical Properties. BioMed Research International No. 2013 (2013), pp.1-7.
https://search.emarefa.net/detail/BIM-1030773
American Medical Association (AMA)
Niu, Bing& Huang, Guohua& Zheng, Linfeng& Wang, Xueyuan& Chen, Fuxue& Zhang, Yuhui…[et al.]. Prediction of Substrate-Enzyme-Product Interaction Based on Molecular Descriptors and Physicochemical Properties. BioMed Research International. 2013. Vol. 2013, no. 2013, pp.1-7.
https://search.emarefa.net/detail/BIM-1030773
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1030773