Title
Contact map prediction using a large-scale ensemble of rule sets and the fusion of multiple predicted structural features
Date Issued
01 October 2012
Access level
open access
Resource Type
journal article
Author(s)
Pablo de Olavide University
Abstract
Motivation: The prediction of a protein's contact map has become in recent years, a crucial stepping stone for the prediction of the complete 3D structure of a protein. In this article, we describe a methodology for this problem that was shown to be successful in CASP8 and CASP9. The methodology is based on (i) the fusion of the prediction of a variety of structural aspects of protein residues, (ii) an ensemble strategy used to facilitate the training process and (iii) a rule-based machine learning system from which we can extract human-readable explanations of the predictor and derive useful information about the contact map representation. Results: The main part of the evaluation is the comparison against the sequence-based contact prediction methods from CASP9, where our method presented the best rank in five out of the six evaluated metrics. We also assess the impact of the size of the ensemble used in our predictor to show the trade-off between performance and training time of our method. Finally, we also study the rule sets generated by our machine learning system. From this analysis, we are able to estimate the contribution of the attributes in our representation and how these interact to derive contact predictions. © The Author 2012. Published by Oxford University Press.
Start page
2441
End page
2448
Volume
28
Issue
19
Language
English
OCDE Knowledge area
Informática y Ciencias de la Información
Biotecnología médica
Scopus EID
2-s2.0-84867301175
PubMed ID
Source
Bioinformatics
ISSN of the container
14602059
DOI of the container
10.1093/bioinformatics/bts472
Source funding
Engineering and Physical Sciences Research Council
Sponsor(s)
Funding: UK Engineering and Physical Sciences Research Council (EPSRC), under grants EP/H016597/1, GR/T07534/01 and EP/J004111/1.
Sources of information:
Directorio de Producción Científica
Scopus