Dental caries is an infectious disease that deteriorates the tooth structure, with tooth cavities as the most common result. Classified as one of the most prevalent oral health issues, research on dental caries has been carried out for early detection due to pain and cost of treatment. Medical research in oral healthcare has shown limitations such as considerable funds and time required; therefore, artificial intelligence has been used in recent years to develop models that can predict the risk of dental caries. The data used in our study were collected from a children’s oral health survey conducted in 2018 by the Korean Center for Disease Control and Prevention. Several Machine Learning algorithms were applied to this data, and their performances were evaluated using accuracy, F1-score, precision, and recall. Random forest has achieved the highest performance compared to other machine learnings methods, with an accuracy of 92%, F1-score of 90%, precision of 94%, and recall of 87%. The results of the proposed paper show that ML is highly recommended for dental professionals in assisting them in decision making for the early detection and treatment of dental caries.

Background: Drug discovery is a complex and expensive procedure involving several timely and costly phases through which new potential pharmaceutical compounds must pass to get approved. One of these critical steps is the identification and optimization of lead compounds, which has been made more accessible by the introduction of computational methods, including deep learning (DL) techniques. Diverse DL model architectures have been put forward to learn the vast landscape of interaction between proteins and ligands and predict their affinity, helping in the identification of lead compounds. Objective: This survey fills a gap in previous research by comprehensively analyzing the most commonly used datasets and discussing their quality and limitations. It also offers a comprehensive classification of the most recent DL methods in the context of protein-ligand binding affinity prediction, providing a fresh perspective on this evolving field. Methods: We thoroughly examine commonly used datasets for BAP and their inherent characteristics. Our exploration extends to various preprocessing steps and DL techniques, including graph neural networks, convolutional neural networks, and transformers, which are found in the literature. We conducted extensive literature research to ensure that the most recent deep learning approaches for BAP were included by the time of writing this manuscript. Results: The systematic approach used for the present study highlighted inherent challenges to BAP via DL, such as data quality, model interpretability, and explainability, and proposed considerations for future research directions. We present valuable insights to accelerate the development of more effective and reliable DL models for BAP within the research community. Conclusion: The present study can considerably enhance future research on predicting affinity between protein and ligand molecules, hence further improving the overall drug development process.

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.

Background: Metabolism including anabolism and catabolism is a prerequisite phenomenon for all living organisms. Anabolism refers to the synthesis of the entire compound needed by a species. Catabolism refers to the breakdown of molecules to obtain energy. Many metabolic pathways are undisclosed and many organism-specific enzymes involved in metabolism are misplaced. When predicting a specific metabolic pathway of a microorganism, the first and foremost steps is to explore available online databases. Among many online databases, KEGG and MetaCyc pathway databases were used to deduce trehalose metabolic network for bacteria Variovorax sp. PAMC28711. Trehalose, a disaccharide, is used by the microorganism as an alternative carbon source. Results: While using KEGG and MetaCyc databases, we found that the KEGG pathway database had one missing enzyme (maltooligosyl-trehalose synthase, EC 5.4.99.15). The MetaCyc pathway database also had some enzymes. However, when we used RAST to annotate the entire genome of Variovorax sp. PAMC28711, we found that all enzymes that were missing in KEGG and MetaCyc databases were involved in the trehalose metabolic pathway. Conclusions: Findings of this study shed light on bioinformatics tools and raise awareness among researchers about the importance of conducting detailed investigation before proceeding with any further work. While such comparison for databases such as KEGG and MetaCyc has been done before, it has never been done with a specific microbial pathway. Such studies are useful for future improvement of bioinformatics tools to reduce limitations.

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.

In recent years, healthcare has gained unprecedented attention from researchers in the field of Human health science and technology. Oral health, a subdomain of healthcare described as being very complex, is threatened by diseases like dental caries, gum disease, oral cancer, etc. The critical point is to propose an identification mechanism to prevent the population from being affected by these diseases. The large amount of online data allows scholars to perform tremendous research on health conditions, specifically oral health. Regardless of the high-performing dental consultation tools available in current healthcare, computer-based technology has shown the ability to complete some tasks in less time and cost less than when using similar healthcare tools to perform the same type of work. Machine learning has displayed a wide variety of advantages in oral healthcare, such as predicting dental caries in the population. Compared to the standard dental caries prediction previously proposed, this work emphasizes the importance of using multiple data sources, referred to as multi-modality, to extract more features and obtain accurate performances. The proposed prediction model constructed using multi-modal data demonstrated promising performances with an accuracy of 90%, F1-score of 89%, a recall of 90%, and a precision of 89%.