An information-theoretic approach to the prediction of protein structural class

IF 4.8 3区 化学 Q2 CHEMISTRY, MULTIDISCIPLINARY Journal of Computational Chemistry Pub Date : 2009-09-23 DOI:10.1002/jcc.21406
Xiaoqi Zheng, Chun Li, Jun Wang
{"title":"An information-theoretic approach to the prediction of protein structural class","authors":"Xiaoqi Zheng,&nbsp;Chun Li,&nbsp;Jun Wang","doi":"10.1002/jcc.21406","DOIUrl":null,"url":null,"abstract":"<p>An information-theoretical approach, which combines a sequence decomposition technique and a fuzzy clustering algorithm, is proposed for prediction of protein structural class. This approach could bypass the process of selecting and comparing sequence features as done previously. First, distances between each pair of protein sequences are estimated using a conditional decomposition technique in information theory. Then, the fuzzy <i>k</i>-nearest neighbor algorithm is used to identify the structural class of a protein given as set of sample sequences. To verify the strength of our method, we choose three widely used datasets constructed by Chou and Zhou. It is shown by the Jackknife test that our approach represents an improvement in the prediction of accuracy over existing methods. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010</p>","PeriodicalId":188,"journal":{"name":"Journal of Computational Chemistry","volume":"31 6","pages":"1201-1206"},"PeriodicalIF":4.8000,"publicationDate":"2009-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.1002/jcc.21406","citationCount":"24","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Computational Chemistry","FirstCategoryId":"92","ListUrlMain":"https://onlinelibrary.wiley.com/doi/10.1002/jcc.21406","RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"CHEMISTRY, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 24

Abstract

An information-theoretical approach, which combines a sequence decomposition technique and a fuzzy clustering algorithm, is proposed for prediction of protein structural class. This approach could bypass the process of selecting and comparing sequence features as done previously. First, distances between each pair of protein sequences are estimated using a conditional decomposition technique in information theory. Then, the fuzzy k-nearest neighbor algorithm is used to identify the structural class of a protein given as set of sample sequences. To verify the strength of our method, we choose three widely used datasets constructed by Chou and Zhou. It is shown by the Jackknife test that our approach represents an improvement in the prediction of accuracy over existing methods. © 2009 Wiley Periodicals, Inc. J Comput Chem, 2010

Abstract Image

查看原文
分享 分享
微信好友 朋友圈 QQ好友 复制链接
本刊更多论文
蛋白质结构类预测的信息论方法
提出了一种结合序列分解技术和模糊聚类算法的信息理论方法来预测蛋白质结构类。这种方法可以绕过之前选择和比较序列特征的过程。首先,利用信息论中的条件分解技术估计每对蛋白质序列之间的距离。然后,使用模糊k近邻算法对给定的一组样本序列的蛋白质进行结构类识别。为了验证我们方法的强度,我们选择了Chou和Zhou构建的三个广泛使用的数据集。刀切试验表明,与现有方法相比,我们的方法在预测精度方面有所提高。©2009 Wiley期刊公司计算机学报,2010
本文章由计算机程序翻译,如有差异,请以英文原文为准。
求助全文
约1分钟内获得全文 去求助
来源期刊
CiteScore
6.60
自引率
3.30%
发文量
247
审稿时长
1.7 months
期刊介绍: This distinguished journal publishes articles concerned with all aspects of computational chemistry: analytical, biological, inorganic, organic, physical, and materials. The Journal of Computational Chemistry presents original research, contemporary developments in theory and methodology, and state-of-the-art applications. Computational areas that are featured in the journal include ab initio and semiempirical quantum mechanics, density functional theory, molecular mechanics, molecular dynamics, statistical mechanics, cheminformatics, biomolecular structure prediction, molecular design, and bioinformatics.
期刊最新文献
A Computational Model in Excel (With ScienSolar) for Simulating Classical Electric Fields of Periodic Table Elements. pyHRMC: Hybrid Reverse Monte Carlo for Electron Total Scattering. GMSAC: A New Software for Searching the Global-Minimum Structures of Solids and Alloys by the Improved Genetic Algorithm and Embedded Atom Method. Expanding the Palette of Molecular Fragments for Small Molecule De Novo Design Through Isosteric Swapping. Evaluating In-Context Learning in Large Language Models for Molecular Property Regression.
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
×
提示
您的信息不完整,为了账户安全,请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
0
微信
客服QQ
Book学术公众号 扫码关注我们
反馈
×
意见反馈
请填写您的意见或建议
请填写您的手机或邮箱
已复制链接
已复制链接
快去分享给好友吧!
我知道了
×
扫码分享
扫码分享
Book学术官方微信
Book学术文献互助
Book学术文献互助群
群 号:604180095
Book学术
文献互助 智能选刊 最新文献 互助须知 联系我们:info@booksci.cn
Book学术提供免费学术资源搜索服务,方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。
Copyright © 2023 Book学术 All rights reserved.
ghs 京公网安备 11010802042870号 京ICP备2023020795号-1