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Comput Biol Chem ; 112: 108169, 2024 Oct.
Artículo en Inglés | MEDLINE | ID: mdl-39137619

RESUMEN

Classification of protein families from their sequences is an enduring task in Proteomics and related studies. Numerous deep-learning models have been moulded to tackle this challenge, but due to the black-box character, they still fall short in reliability. Here, we present a novel explainability pipeline that explains the pivotal decisions of the deep learning model on the classification of the Eukaryotic kinome. Based on a comparative and experimental analysis of the most cutting-edge deep learning algorithms, the best deep learning model CNN-BLSTM was chosen to classify the eight eukaryotic kinase sequences to their corresponding families. As a substitution for the conventional class activation map-based interpretation of CNN-based models in the domain, we have cascaded the GRAD CAM and Integrated Gradient (IG) explainability modus operandi for improved and responsible results. To ensure the trustworthiness of the classifier, we have masked the kinase domain traces, identified from the explainability pipeline and observed a class-specific drop in F1-score from 0.96 to 0.76. In compliance with the Explainable AI paradigm, our results are promising and contribute to enhancing the trustworthiness of deep learning models for biological sequence-associated studies.


Asunto(s)
Aprendizaje Profundo , Proteínas Quinasas/metabolismo , Proteínas Quinasas/clasificación , Proteínas Quinasas/química , Eucariontes/enzimología , Eucariontes/clasificación , Algoritmos
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