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An automatic representation of peptides for effective antimicrobial activity classification
Antimicrobial peptides (AMPs) are a promising alternative to small-molecules-based antibiotics. These peptides are part of most living organisms’ innate defense system. In order to computationally identify new AMPs within the peptides these organisms produce, an automatic AMP/non-AMP classifier is r...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Research Network of Computational and Structural Biotechnology
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7063200/ https://www.ncbi.nlm.nih.gov/pubmed/32180904 http://dx.doi.org/10.1016/j.csbj.2020.02.002 |
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author | Beltran, Jesus A. Del Rio, Gabriel Brizuela, Carlos A. |
author_facet | Beltran, Jesus A. Del Rio, Gabriel Brizuela, Carlos A. |
author_sort | Beltran, Jesus A. |
collection | PubMed |
description | Antimicrobial peptides (AMPs) are a promising alternative to small-molecules-based antibiotics. These peptides are part of most living organisms’ innate defense system. In order to computationally identify new AMPs within the peptides these organisms produce, an automatic AMP/non-AMP classifier is required. In order to have an efficient classifier, a set of robust features that can capture what differentiates an AMP from another that is not, has to be selected. However, the number of candidate descriptors is large (in the order of thousands) to allow for an exhaustive search of all possible combinations. Therefore, efficient and effective feature selection techniques are required. In this work, we propose an efficient wrapper technique to solve the feature selection problem for AMPs identification. The method is based on a Genetic Algorithm that uses a variable-length chromosome for representing the selected features and uses an objective function that considers the Mathew Correlation Coefficient and the number of selected features. Computational experiments show that the proposed method can produce competitive results regarding sensitivity, specificity, and MCC. Furthermore, the best classification results are achieved by using only 39 out of 272 molecular descriptors. |
format | Online Article Text |
id | pubmed-7063200 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | Research Network of Computational and Structural Biotechnology |
record_format | MEDLINE/PubMed |
spelling | pubmed-70632002020-03-16 An automatic representation of peptides for effective antimicrobial activity classification Beltran, Jesus A. Del Rio, Gabriel Brizuela, Carlos A. Comput Struct Biotechnol J Research Article Antimicrobial peptides (AMPs) are a promising alternative to small-molecules-based antibiotics. These peptides are part of most living organisms’ innate defense system. In order to computationally identify new AMPs within the peptides these organisms produce, an automatic AMP/non-AMP classifier is required. In order to have an efficient classifier, a set of robust features that can capture what differentiates an AMP from another that is not, has to be selected. However, the number of candidate descriptors is large (in the order of thousands) to allow for an exhaustive search of all possible combinations. Therefore, efficient and effective feature selection techniques are required. In this work, we propose an efficient wrapper technique to solve the feature selection problem for AMPs identification. The method is based on a Genetic Algorithm that uses a variable-length chromosome for representing the selected features and uses an objective function that considers the Mathew Correlation Coefficient and the number of selected features. Computational experiments show that the proposed method can produce competitive results regarding sensitivity, specificity, and MCC. Furthermore, the best classification results are achieved by using only 39 out of 272 molecular descriptors. Research Network of Computational and Structural Biotechnology 2020-02-26 /pmc/articles/PMC7063200/ /pubmed/32180904 http://dx.doi.org/10.1016/j.csbj.2020.02.002 Text en © 2020 The Authors http://creativecommons.org/licenses/by-nc-nd/4.0/ This is an open access article under the CC BY-NC-ND license (http://creativecommons.org/licenses/by-nc-nd/4.0/). |
spellingShingle | Research Article Beltran, Jesus A. Del Rio, Gabriel Brizuela, Carlos A. An automatic representation of peptides for effective antimicrobial activity classification |
title | An automatic representation of peptides for effective antimicrobial activity classification |
title_full | An automatic representation of peptides for effective antimicrobial activity classification |
title_fullStr | An automatic representation of peptides for effective antimicrobial activity classification |
title_full_unstemmed | An automatic representation of peptides for effective antimicrobial activity classification |
title_short | An automatic representation of peptides for effective antimicrobial activity classification |
title_sort | automatic representation of peptides for effective antimicrobial activity classification |
topic | Research Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7063200/ https://www.ncbi.nlm.nih.gov/pubmed/32180904 http://dx.doi.org/10.1016/j.csbj.2020.02.002 |
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