Bi-objective integer programming for RNA secondary structure prediction with pseudoknots

Abstract Background RNA structure prediction is an important field in bioinformatics, and numerous methods and tools have been proposed. Pseudoknots are specific motifs of RNA secondary structures that are difficult to predict. Almost all existing methods are based on a single model and return one s...

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Main Authors: Audrey Legendre, Eric Angel, Fariza Tahi
Format: Article
Language:English
Published: BMC 2018-01-01
Series:BMC Bioinformatics
Subjects:
Online Access:http://link.springer.com/article/10.1186/s12859-018-2007-7
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author Audrey Legendre
Eric Angel
Fariza Tahi
author_facet Audrey Legendre
Eric Angel
Fariza Tahi
author_sort Audrey Legendre
collection DOAJ
description Abstract Background RNA structure prediction is an important field in bioinformatics, and numerous methods and tools have been proposed. Pseudoknots are specific motifs of RNA secondary structures that are difficult to predict. Almost all existing methods are based on a single model and return one solution, often missing the real structure. An alternative approach would be to combine different models and return a (small) set of solutions, maximizing its quality and diversity in order to increase the probability that it contains the real structure. Results We propose here an original method for predicting RNA secondary structures with pseudoknots, based on integer programming. We developed a generic bi-objective integer programming algorithm allowing to return optimal and sub-optimal solutions optimizing simultaneously two models. This algorithm was then applied to the combination of two known models of RNA secondary structure prediction, namely MEA and MFE. The resulting tool, called BiokoP, is compared with the other methods in the literature. The results show that the best solution (structure with the highest F1-score) is, in most cases, given by BiokoP. Moreover, the results of BiokoP are homogeneous, regardless of the pseudoknot type or the presence or not of pseudoknots. Indeed, the F1-scores are always higher than 70% for any number of solutions returned. Conclusion The results obtained by BiokoP show that combining the MEA and the MFE models, as well as returning several optimal and several sub-optimal solutions, allow to improve the prediction of secondary structures. One perspective of our work is to combine better mono-criterion models, in particular to combine a model based on the comparative approach with the MEA and the MFE models. This leads to develop in the future a new multi-objective algorithm to combine more than two models. BiokoP is available on the EvryRNA platform: https://EvryRNA.ibisc.univ-evry.fr .
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spelling doaj.art-040f82c043754edd963515b4312a3b092022-12-21T20:08:36ZengBMCBMC Bioinformatics1471-21052018-01-0119111510.1186/s12859-018-2007-7Bi-objective integer programming for RNA secondary structure prediction with pseudoknotsAudrey Legendre0Eric Angel1Fariza Tahi2IBISC, Univ Evry, Université Paris-SaclayIBISC, Univ Evry, Université Paris-SaclayIBISC, Univ Evry, Université Paris-SaclayAbstract Background RNA structure prediction is an important field in bioinformatics, and numerous methods and tools have been proposed. Pseudoknots are specific motifs of RNA secondary structures that are difficult to predict. Almost all existing methods are based on a single model and return one solution, often missing the real structure. An alternative approach would be to combine different models and return a (small) set of solutions, maximizing its quality and diversity in order to increase the probability that it contains the real structure. Results We propose here an original method for predicting RNA secondary structures with pseudoknots, based on integer programming. We developed a generic bi-objective integer programming algorithm allowing to return optimal and sub-optimal solutions optimizing simultaneously two models. This algorithm was then applied to the combination of two known models of RNA secondary structure prediction, namely MEA and MFE. The resulting tool, called BiokoP, is compared with the other methods in the literature. The results show that the best solution (structure with the highest F1-score) is, in most cases, given by BiokoP. Moreover, the results of BiokoP are homogeneous, regardless of the pseudoknot type or the presence or not of pseudoknots. Indeed, the F1-scores are always higher than 70% for any number of solutions returned. Conclusion The results obtained by BiokoP show that combining the MEA and the MFE models, as well as returning several optimal and several sub-optimal solutions, allow to improve the prediction of secondary structures. One perspective of our work is to combine better mono-criterion models, in particular to combine a model based on the comparative approach with the MEA and the MFE models. This leads to develop in the future a new multi-objective algorithm to combine more than two models. BiokoP is available on the EvryRNA platform: https://EvryRNA.ibisc.univ-evry.fr .http://link.springer.com/article/10.1186/s12859-018-2007-7RNASecondary structurePseudoknotInteger programmingBi-objectiveOptimal solutions
spellingShingle Audrey Legendre
Eric Angel
Fariza Tahi
Bi-objective integer programming for RNA secondary structure prediction with pseudoknots
BMC Bioinformatics
RNA
Secondary structure
Pseudoknot
Integer programming
Bi-objective
Optimal solutions
title Bi-objective integer programming for RNA secondary structure prediction with pseudoknots
title_full Bi-objective integer programming for RNA secondary structure prediction with pseudoknots
title_fullStr Bi-objective integer programming for RNA secondary structure prediction with pseudoknots
title_full_unstemmed Bi-objective integer programming for RNA secondary structure prediction with pseudoknots
title_short Bi-objective integer programming for RNA secondary structure prediction with pseudoknots
title_sort bi objective integer programming for rna secondary structure prediction with pseudoknots
topic RNA
Secondary structure
Pseudoknot
Integer programming
Bi-objective
Optimal solutions
url http://link.springer.com/article/10.1186/s12859-018-2007-7
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