Modelo de aprendizaje profundo para la generación automática de péptidos antimicrobianos sintéticos con funcionalidades específicas
Ilustraciones
- Autores:
-
Orrego Pérez, Andrés
- Tipo de recurso:
- Fecha de publicación:
- 2023
- Institución:
- Universidad Nacional de Colombia
- Repositorio:
- Universidad Nacional de Colombia
- Idioma:
- spa
- OAI Identifier:
- oai:repositorio.unal.edu.co:unal/83835
- Palabra clave:
- 000 - Ciencias de la computación, información y obras generales::004 - Procesamiento de datos Ciencia de los computadores
Redes neuronales
Péptidos
GAN
Antimicrobial peptides
Deep learning
Sequence generation
GAN
Péptidos antimicrobianos
Aprendizaje profundo
Generación de secuencias
- Rights
- openAccess
- License
- Atribución-NoComercial 4.0 Internacional
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oai:repositorio.unal.edu.co:unal/83835 |
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UNACIONAL2 |
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Universidad Nacional de Colombia |
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|
dc.title.spa.fl_str_mv |
Modelo de aprendizaje profundo para la generación automática de péptidos antimicrobianos sintéticos con funcionalidades específicas |
dc.title.translated.eng.fl_str_mv |
Deep Learning Model for automatic generation of synthetic antimicrobials peptides with specific functionalities |
title |
Modelo de aprendizaje profundo para la generación automática de péptidos antimicrobianos sintéticos con funcionalidades específicas |
spellingShingle |
Modelo de aprendizaje profundo para la generación automática de péptidos antimicrobianos sintéticos con funcionalidades específicas 000 - Ciencias de la computación, información y obras generales::004 - Procesamiento de datos Ciencia de los computadores Redes neuronales Péptidos GAN Antimicrobial peptides Deep learning Sequence generation GAN Péptidos antimicrobianos Aprendizaje profundo Generación de secuencias |
title_short |
Modelo de aprendizaje profundo para la generación automática de péptidos antimicrobianos sintéticos con funcionalidades específicas |
title_full |
Modelo de aprendizaje profundo para la generación automática de péptidos antimicrobianos sintéticos con funcionalidades específicas |
title_fullStr |
Modelo de aprendizaje profundo para la generación automática de péptidos antimicrobianos sintéticos con funcionalidades específicas |
title_full_unstemmed |
Modelo de aprendizaje profundo para la generación automática de péptidos antimicrobianos sintéticos con funcionalidades específicas |
title_sort |
Modelo de aprendizaje profundo para la generación automática de péptidos antimicrobianos sintéticos con funcionalidades específicas |
dc.creator.fl_str_mv |
Orrego Pérez, Andrés |
dc.contributor.advisor.none.fl_str_mv |
Mera Banguero, Carlos Andres Branch Bedoya, John Willian Orduz Peralta, Sergio |
dc.contributor.author.none.fl_str_mv |
Orrego Pérez, Andrés |
dc.contributor.researchgroup.spa.fl_str_mv |
Biología Funcional Gidia: Grupo de Investigación YyDesarrollo en Inteligencia Artificial |
dc.contributor.orcid.spa.fl_str_mv |
0000-0002-5143-0276 |
dc.contributor.cvlac.spa.fl_str_mv |
https://scienti.minciencias.gov.co/cvlac/visualizador/generarCurriculoCv.do?cod_rh=0001737101 |
dc.contributor.googlescholar.spa.fl_str_mv |
https://scholar.google.com/citations?user=K6Tz_4QAAAAJ&hl=es |
dc.subject.ddc.spa.fl_str_mv |
000 - Ciencias de la computación, información y obras generales::004 - Procesamiento de datos Ciencia de los computadores |
topic |
000 - Ciencias de la computación, información y obras generales::004 - Procesamiento de datos Ciencia de los computadores Redes neuronales Péptidos GAN Antimicrobial peptides Deep learning Sequence generation GAN Péptidos antimicrobianos Aprendizaje profundo Generación de secuencias |
dc.subject.armarc.none.fl_str_mv |
Redes neuronales |
dc.subject.lemb.none.fl_str_mv |
Péptidos |
dc.subject.proposal.eng.fl_str_mv |
GAN Antimicrobial peptides Deep learning Sequence generation |
dc.subject.proposal.spa.fl_str_mv |
GAN Péptidos antimicrobianos Aprendizaje profundo Generación de secuencias |
description |
Ilustraciones |
publishDate |
2023 |
dc.date.accessioned.none.fl_str_mv |
2023-05-19T19:12:22Z |
dc.date.available.none.fl_str_mv |
2023-05-19T19:12:22Z |
dc.date.issued.none.fl_str_mv |
2023 |
dc.type.spa.fl_str_mv |
Trabajo de grado - Maestría |
dc.type.driver.spa.fl_str_mv |
info:eu-repo/semantics/masterThesis |
dc.type.version.spa.fl_str_mv |
info:eu-repo/semantics/acceptedVersion |
dc.type.content.spa.fl_str_mv |
Text |
dc.type.redcol.spa.fl_str_mv |
http://purl.org/redcol/resource_type/TM |
status_str |
acceptedVersion |
dc.identifier.uri.none.fl_str_mv |
https://repositorio.unal.edu.co/handle/unal/83835 |
dc.identifier.instname.spa.fl_str_mv |
Universidad Nacional de Colombia |
dc.identifier.reponame.spa.fl_str_mv |
Repositorio Institucional Universidad Nacional de Colombia |
dc.identifier.repourl.spa.fl_str_mv |
https://repositorio.unal.edu.co/ |
url |
https://repositorio.unal.edu.co/handle/unal/83835 https://repositorio.unal.edu.co/ |
identifier_str_mv |
Universidad Nacional de Colombia Repositorio Institucional Universidad Nacional de Colombia |
dc.language.iso.spa.fl_str_mv |
spa |
language |
spa |
dc.relation.indexed.spa.fl_str_mv |
LaReferencia |
dc.relation.references.spa.fl_str_mv |
DR. Daza, “Resistencia bacteriana a antimicrobianos: su importancia en la toma de decisiones en la práctica diaria,” Inf ormaciónTerapeutica del Sistema Nacional de Salud, vol. 22, no. 3, 1998. F. Del Castillo Martin, “Neumococo resistente a la penicilina. Un grave problema de salud publica,” Anales Espanoles de Pediatria, vol. 45, no. 3. 1996. World Health Organization, “Resistencia a los antimicrobianos,” 2020. https://www.who.int/es/news-room/fact-sheets/detail/antimicrobial-resistance (accessed Dec. 20, 2021). J. Oromí Durich, “Resistencia bacteriana a los antibióticos. Medicina Integral,” Medicina Integral, vol. 36, no. 10, 2000. Interagency Coordination Group on Antimicrobial Resistance, “No podemos esperar: asegurar el futuro contra las infecciones farmacorresistentes,” 2019. World Health Organization, “2019 Antibacterial agents in clinical development: an analysis of the antibacterial clinical development pipeline. Geneva: World Health Organization; 2019. Licence: CC BY-NC-SA 3.0 IGO.,” 2019. J. O’Neill, “Antimicrobial Resistance : Tackling a crisis for the health and wealth of nations, Review on Antimicrobial Resistance, Chaired by Jim O’Neill, December 2014,” Review on Antimicrobial Resistance, no. December, 2016. WHO, “Proyecto de plan de acción mundial sobre la resistencia a los antimicrobianos. Informe de la Secretaría.,” Resistencia a los antimicrobianos, 2015. A. K. Marr, W. J. Gooderham, and R. E. Hancock, “Antibacterial peptides for therapeutic use: obstacles and realistic outlook,” Current Opinion in Pharmacology, vol. 6, no. 5. 2006. doi: 10.1016/j.coph.2006.04.006. C. D. Fjell, J. A. Hiss, R. E. W. Hancock, and G. Schneider, “Designing antimicrobial peptides: Form follows function,” Nature Reviews Drug Discovery, vol. 11, no. 1. 2012. doi: 10.1038/nrd3591. A. Talevi and L. E. 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Orduz Peralta, “Sistema de Inteligencia Artificial para la Predicción o Generación Automática de péptidos Bioactivos,” Universidad Nacional de Colombia, 2020. A. Orrego Pérez, C. A. Mera Banguero, S. Orduz Peralta, and J. W. Branch Bedoya, “Red Generativa Antagónica para la Generación de Péptidos Antimicrobianos Sintéticos,” 2021. A. T. Müller, J. A. Hiss, and G. Schneider, “Recurrent Neural Network Model for Constructive Peptide Design,” J Chem Inf Model, vol. 58, no. 2, pp. 472–479, 2018, doi: 10.1021/acs.jcim.7b00414. J. R. Mxkee. Trudy Mckee, Bioquimica (las bases moleculares de la vida), vol. 53, no. 9. 2013. P. Gutiérrez and S. Orduz, “PÉPTIDOS ANTIMICROBIANOS: ESTRUCTURA, FUNCIÓN Y APLICACIONES,” Actual Biol, vol. 25, no. 78, 2003. A. A. Bahar and D. Ren, “Antimicrobial Peptides,” Pharmaceuticals , vol. 6, no. 12. 2013. doi: 10.3390/ph6121543. I. J. Goodfellow et al., “Generative Adversarial Networks,” Jun. 2014, Accessed: Dec. 14, 2021. [Online]. 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Mera Banguero, and S. Orduz Peralta, “Prototipo de una Máquina de Inteligencia Artificial para la Predicción de la Actividad Antimicrobiana a Partir del Análisis de Proteomas,” 2020. E. Asgari and M. R. K. Mofrad, “ProtVec: A Continuous Distributed Representation of Biological Sequences,” Mar. 2015, doi: 10.1371/journal.pone.0141287. P. J. A. Cock et al., “Biopython: Freely available Python tools for computational molecular biology and bioinformatics,” Bioinformatics, vol. 25, no. 11, 2009, doi: 10.1093/bioinformatics/btp163. D. S. Cao, Y. Z. Liang, J. Yan, G. S. Tan, Q. S. Xu, and S. Liu, “PyDPI: Freely available python package for chemoinformatics, bioinformatics, and chemogenomics studies,” J Chem Inf Model, vol. 53, no. 11, 2013, doi: 10.1021/ci400127q. A. T. Müller, G. Gabernet, J. A. Hiss, and G. Schneider, “modlAMP: Python for antimicrobial peptides,” Bioinformatics, vol. 33, no. 17, 2017, doi: 10.1093/bioinformatics/btx285. S. Ramírez Montaño, “FastAPI,” 2023. J. Amat Rodrigo, “Comparación de distribuciones con python: test Kolmogorov–Smirnov.” https://www.cienciadedatos.net/documentos/pystats08-comparacion-distribuciones-test-kolmogorov-smirnov-python.html (accessed May 24, 2022). M. Heusel, H. Ramsauer, T. Unterthiner, B. Nessler, and S. Hochreiter, “GANs trained by a two time-scale update rule converge to a local Nash equilibrium,” in Advances in Neural Information Processing Systems, 2017, vol. 2017-December. D. C. Dowson and B. v. Landau, “The Fréchet distance between multivariate normal distributions,” J Multivar Anal, vol. 12, no. 3, 1982, doi: 10.1016/0047-259X(82)90077-X. F. H. Waghu, R. S. Barai, P. Gurung, and S. Idicula-Thomas, “CAMPR3: A database on sequences, structures and signatures of antimicrobial peptides,” Nucleic Acids Res, vol. 44, no. D1, pp. D1094–D1097, 2016, doi: 10.1093/nar/gkv1051. C. R. Chung, T. R. Kuo, L. C. Wu, T. Y. Lee, and J. T. Horng, “Characterization and identification of antimicrobial peptides with different functional activities,” Brief Bioinform, vol. 21, no. 3, 2020, doi: 10.1093/bib/bbz043. |
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Atribución-NoComercial 4.0 Internacionalhttp://creativecommons.org/licenses/by-nc/4.0/info:eu-repo/semantics/openAccesshttp://purl.org/coar/access_right/c_abf2Mera Banguero, Carlos Andres6389e3503770a49b50672c151957265fBranch Bedoya, John Willian112eaa0bbeeaeb0d3d14dfe15d672a15600Orduz Peralta, Sergiobfc3c74726167d38ddd831c691a9e32f600Orrego Pérez, Andrése449eb91df1f9b6150c0dc286d820343Biología FuncionalGidia: Grupo de Investigación YyDesarrollo en Inteligencia Artificial0000-0002-5143-0276https://scienti.minciencias.gov.co/cvlac/visualizador/generarCurriculoCv.do?cod_rh=0001737101https://scholar.google.com/citations?user=K6Tz_4QAAAAJ&hl=es2023-05-19T19:12:22Z2023-05-19T19:12:22Z2023https://repositorio.unal.edu.co/handle/unal/83835Universidad Nacional de ColombiaRepositorio Institucional Universidad Nacional de Colombiahttps://repositorio.unal.edu.co/IlustracionesLa resistencia a los antibióticos se ha convertido en uno de los mayores problemas de salud a nivel mundial en los últimos años, provocando afectaciones directas contra la salud y la economía. Un tipo especial de proteínas cortas, denominadas péptidos antimicrobianos, está tomando gran relevancia en la investigación para combatir esta problemática, principalmente por sus bondades antibióticas. Existen diferentes métodos para la búsqueda de nuevos péptidos antimicrobianos, entre ellos está el uso de técnicas de aprendizaje automático que permiten reducir los costos y el tiempo de búsqueda, comparadas con las técnicas tradicionales de bioprospección. En esa línea, en este trabajo se propone un método para la generación de secuencias sintéticas de péptidos antimicrobianos con funcionalidades específicas utilizando una red neuronal con una arquitectura GAN condicional y celdas recurrentes. Este método es evaluado a partir de una estrategia de validación propuesta que se enfoca en medir la calidad y diversidad de las secuencias sintéticas generadas. Los modelos obtenidos fueron comparados con algunas referencias del estado del arte y los resultados mostraron que las secuencias generadas por los modelos propuestos tienen alto potencial antimicrobiano, son diversas, estructuralmente distintas a las secuencias de entrenamiento, pero similares a nivel de su composición de aminoácidos. Adicionalmente, los modelos propuestos pueden generar, a petición del usuario, secuencias con las siguientes funcionalidades específicas: antimicrobiano, antibacteriano, anti gramnegativo, anti grampositivo, antifúngico, antiviral, y anticáncer. (Tomado de la fuente)Antibiotic resistance has become one of the biggest health problems worldwide in recent years, causing direct effects on health and the economy. A particular type of short protein, called antimicrobial peptides, is gaining great relevance in research to combat this problem, mainly due to its antibiotic benefits. There are different methods for searching for new antimicrobial peptide sequences, including machine learning techniques that reduce costs and search time compared to traditional bioprospecting techniques. In that line, this work proposes a method for generating synthetic sequences of antimicrobial peptides with specific functionalities using a neural network with a conditional GAN architecture and recurrent cells. This method is evaluated based on a proposed validation strategy that measures the quality and diversity of the generated synthetic sequences. The obtained models were compared with some state-of-the-art references. The results showed that the sequences generated by the proposed models have high antimicrobial potential and are diverse, structurally different from the training sequences, but similar at their amino acid composition level. Additionally, the proposed models can generate, at the user's request, sequences with the following specific functionalities: antimicrobial, antibacterial, anti-gram-negative, anti-gram-positive, antifungal, antiviral, and anticancer.MaestríaMagíster en Ingeniería - AnalíticaInteligencia ArtificialÁrea Curricular de Ingeniería de Sistemas e Informática65 páginasapplication/pdfspaUniversidad Nacional de ColombiaMedellín - Minas - Maestría en Ingeniería - AnalíticaFacultad de MinasMedellín, ColombiaUniversidad Nacional de Colombia - Sede Medellín000 - Ciencias de la computación, información y obras generales::004 - Procesamiento de datos Ciencia de los computadoresRedes neuronalesPéptidosGANAntimicrobial peptidesDeep learningSequence generationGANPéptidos antimicrobianosAprendizaje profundoGeneración de secuenciasModelo de aprendizaje profundo para la generación automática de péptidos antimicrobianos sintéticos con funcionalidades específicasDeep Learning Model for automatic generation of synthetic antimicrobials peptides with specific functionalitiesTrabajo de grado - Maestríainfo:eu-repo/semantics/masterThesisinfo:eu-repo/semantics/acceptedVersionTexthttp://purl.org/redcol/resource_type/TMLaReferenciaDR. 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Horng, “Characterization and identification of antimicrobial peptides with different functional activities,” Brief Bioinform, vol. 21, no. 3, 2020, doi: 10.1093/bib/bbz043.InvestigadoresLICENSElicense.txtlicense.txttext/plain; charset=utf-85879https://repositorio.unal.edu.co/bitstream/unal/83835/3/license.txteb34b1cf90b7e1103fc9dfd26be24b4aMD53ORIGINALModelo de Aprendizaje Profundo para la Generación Automática de Péptidos Antimicrobianos Sintéticos con Funcionalidades Específicas.pdfModelo de Aprendizaje Profundo para la Generación Automática de Péptidos Antimicrobianos Sintéticos con Funcionalidades Específicas.pdfTesis de maestría en Ingeniería - Análiticaapplication/pdf1780832https://repositorio.unal.edu.co/bitstream/unal/83835/4/Modelo%20de%20Aprendizaje%20Profundo%20para%20la%20Generaci%c3%b3n%20Autom%c3%a1tica%20de%20P%c3%a9ptidos%20Antimicrobianos%20Sint%c3%a9ticos%20con%20Funcionalidades%20Espec%c3%adficas.pdf3e30c525de8fba0f0545cdb6e87654b2MD54THUMBNAILModelo de Aprendizaje 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