RESUMEN
BACKGROUND: Compound-protein interaction prediction is necessary to investigate health regulatory functions and promotes drug discovery. Machine learning is becoming increasingly important in bioinformatics for applications such as analyzing protein-related data to achieve successful solutions. Modeling the properties and functions of proteins is important but challenging, especially when dealing with predictions of the sequence type. RESULT: We propose a method to model compounds and proteins for compound-protein interaction prediction. A graph neural network is used to represent the compounds, and a convolutional layer extended with a bidirectional recurrent neural network framework, Long Short-Term Memory, and Gate Recurrent unit is used for protein sequence vectorization. The convolutional layer captures regulatory protein functions, while the recurrent layer captures long-term dependencies between protein functions, thus improving the accuracy of interaction prediction with compounds. A database of 7000 sets of annotated compound protein interaction, containing 1000 base length proteins is taken into consideration for the implementation. The results indicate that the proposed model performs effectively and can yield satisfactory accuracy regarding compound protein interaction prediction. CONCLUSION: The performance of GCRNN is based on the classification accordiong to a binary class of interactions between proteins and compounds The architectural design of GCRNN model comes with the integration of the Bi-Recurrent layer on top of CNN to learn dependencies of motifs on protein sequences and improve the accuracy of the predictions.
Asunto(s)
Biología Computacional , Redes Neurales de la Computación , Secuencia de Aminoácidos , Aprendizaje Automático , Proteínas/genéticaRESUMEN
The high frequency of dental caries is a major public health concern worldwide. The condition is common, particularly in developing countries. Because there are no evident early-stage signs, dental caries frequently goes untreated. Meanwhile, early detection and timely clinical intervention are required to slow disease development. Machine learning (ML) models can benefit clinicians in the early detection of dental cavities through efficient and cost-effective computer-aided diagnoses. This study proposed a more effective method for diagnosing dental caries by integrating the GINI and mRMR algorithms with the GBDT classifier. Because just a few clinical test features are required for the diagnosis, this strategy could save time and money when screening for dental caries. The proposed method was compared to recently proposed dental procedures. Among these classifiers, the suggested GBDT trained with a reduced feature set achieved the best classification performance, with accuracy, F1-score, precision, and recall values of 95%, 93%, 99%, and 88%, respectively. Furthermore, the experimental results suggest that feature selection improved the performance of the various classifiers. The suggested method yielded a good predictive model for dental caries diagnosis, which might be used in more imbalanced medical datasets to identify disease more effectively.