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Interpretable and explainable predictive machine learning models for data-driven protein engineering
Indexado
WoS WOS:001379430700001
Scopus SCOPUS_ID:85211074839
DOI 10.1016/J.BIOTECHADV.2024.108495
Año 2025
Tipo revisión

Citas Totales

Autores Afiliación Chile

Instituciones Chile

% Participación
Internacional

Autores
Afiliación Extranjera

Instituciones
Extranjeras


Abstract



Protein engineering through directed evolution and (semi)rational design has become a powerful approach for optimizing and enhancing proteins with desired properties. The integration of artificial intelligence methods has further accelerated protein engineering process by enabling the development of predictive models based on datadriven strategies. However, the lack of interpretability and transparency in these models limits their trustworthiness and applicability in real-world scenarios. Explainable Artificial Intelligence addresses these challenges by providing insights into the decision-making processes of machine learning models, enhancing their reliability and interpretability. Explainable strategies has been successfully applied in various biotechnology fields, including drug discovery, genomics, and medicine, yet its application in protein engineering remains underexplored. The incorporation of explainable strategies in protein engineering holds significant potential, as it can guide protein design by revealing how predictive models function, benefiting approaches such as machine learning-assisted directed evolution. This perspective work explores the principles and methodologies of explainable artificial intelligence, highlighting its relevance in biotechnology and its potential to enhance protein design. Additionally, three theoretical pipelines integrating predictive models with explainable strategies are proposed, focusing on their advantages, disadvantages, and technical requirements. Finally, the remaining challenges of explainable artificial intelligence in protein engineering and future directions for its development as a support tool for traditional protein engineering methodologies are discussed.

Revista



Revista ISSN
Biotechnology Advances 0734-9750

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Disciplinas de Investigación



WOS
Biotechnology & Applied Microbiology
Scopus
Sin Disciplinas
SciELO
Sin Disciplinas

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Publicaciones WoS (Ediciones: ISSHP, ISTP, AHCI, SSCI, SCI), Scopus, SciELO Chile.

Colaboración Institucional



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Autores - Afiliación



Ord. Autor Género Institución - País
1 Medina-Ortiz, David - Leibniz Inst Plant Biochem - Alemania
Universidad de Magallanes - Chile
Universidad de Chile - Chile
Leibniz Institut fur Pflanzenbiochemie - Alemania
2 Khalifeh, Ashkan - Univ Nizwa - Omán
University of Nizwa - Omán
3 Anvari-Kazemabad, Hoda - Universidad de Magallanes - Chile
4 Davari, Mehdi D. Hombre Leibniz Inst Plant Biochem - Alemania
Leibniz Institut fur Pflanzenbiochemie - Alemania

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Financiamiento



Fuente
Deutsche Forschungsgemeinschaft
Deutsche Forschungsgemeinschaft (DFG, German Research Foundation)
European Cooperation in Science and Technology
Centre for Biotechnology and Bioengineering
EU COST Action
ANID
Agencia Nacional de Investigación y Desarrollo
Priority Program Molecular Machine Learning
Centre for Biotechnology and Bioengineering-CeBiB, ANID, Chile

Muestra la fuente de financiamiento declarada en la publicación.

Agradecimientos



Agradecimiento
DM-O acknowledges ANID for the project "SUBVENCION A INSTALACION EN LA ACADEMIA CONVOCATORIA ANO 2022", Folio 85220004. DM-O gratefully acknowledges support from the Centre for Biotechnology and Bioengineering-CeBiB (PIA project FB0001 and AFB240001, ANID, Chile) . MDD acknowledges funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation)-within the Priority Program Molecular Machine Learning SPP2363 (Project Number 497207454) . Additional support from EU COST Action CA21162 (COZYME) is also acknowledged.
DM-O acknowledges ANID for the project \u201CSUBVENCI\u00D3N A INSTALACI\u00D3N EN LA ACADEMIA CONVOCATORIA A\u00D1O 2022\u201D, Folio 85220004. MDD acknowledges funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) - within the Priority Program Molecular Machine Learning SPP2363 (Project Number 497207454). MDD acknowledges EU COST Action CA21162 (COZYME).
DM-O acknowledges ANID for the project \u201CSUBVENCI\u00D3N A INSTALACI\u00D3N EN LA ACADEMIA CONVOCATORIA A\u00D1O 2022\u201D, Folio 85220004. MDD acknowledges funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) - within the Priority Program Molecular Machine Learning SPP2363 (Project Number 497207454). MDD acknowledges EU COST Action CA21162 (COZYME).

Muestra la fuente de financiamiento declarada en la publicación.