The whole world faces a pandemic situation due to the deadly virus, namely COVID-19. It takes considerable time to get the virus well-matured to be traced, and during this time, it may be transmitted among other people. To get rid of this unexpected situation, quick identification of COVID-19 patients is required. We have designed and optimized a machine learning-based framework using inpatient's facility data that will give a user-friendly, cost-effective, and time-efficient solution to this pandemic. The proposed framework uses Bayesian optimization to optimize the hyperparameters of the classifier and ADAptive SYNthetic (ADASYN) algorithm to balance the COVID and non-COVID classes of the dataset. Although the proposed technique has been applied to nine state-of-the-art classifiers to show the efficacy, it can be used to many classifiers and classification problems. It is evident from this study that eXtreme Gradient Boosting (XGB) provides the highest Kappa index of 97.00%. Compared to without ADASYN, our proposed approach yields an improvement in the kappa index of 96.94%. Besides, Bayesian optimization has been compared to grid search, random search to show efficiency. Furthermore, the most dominating features have been identified using SHapely Adaptive exPlanations (SHAP) analysis. A comparison has also been made among other related works. The proposed method is capable enough of tracing COVID patients spending less time than that of the conventional techniques. Finally, two potential applications, namely, clinically operable decision tree and decision support system, have been demonstrated to support clinical staff and build a recommender system.
Discovering drug–target (protein) interactions (DTIs) is of great significance for researching and developing novel drugs, having a tremendous advantage to pharmaceutical industries and patients. However, the prediction of DTIs using wet-lab experimental methods is generally expensive and time-consuming. Therefore, different machine learning-based methods have been developed for this purpose, but there are still substantial unknown interactions needed to discover. Furthermore, data imbalance and feature dimensionality problems are a critical challenge in drug-target datasets, which can decrease the classifier performances that have not been significantly addressed yet. This paper proposed a novel drug–target interaction prediction method called PreDTIs. First, the feature vectors of the protein sequence are extracted by the pseudo-position-specific scoring matrix (PsePSSM), dipeptide composition (DC) and pseudo amino acid composition (PseAAC); and the drug is encoded with MACCS substructure fingerings. Besides, we propose a FastUS algorithm to handle the class imbalance problem and also develop a MoIFS algorithm to remove the irrelevant and redundant features for getting the best optimal features. Finally, balanced and optimal features are provided to the LightGBM Classifier to identify DTIs, and the 5-fold CV validation test method was applied to evaluate the prediction ability of the proposed method. Prediction results indicate that the proposed model PreDTIs is significantly superior to other existing methods in predicting DTIs, and our model could be used to discover new drugs for unknown disorders or infections, such as for the coronavirus disease 2019 using existing drugs compounds and severe acute respiratory syndrome coronavirus 2 protein sequences.
Diabetes is one of the most rapidly spreading diseases in the world, resulting in an array of significant complications, including cardiovascular disease, kidney failure, diabetic retinopathy, and neuropathy, among others, which contribute to an increase in morbidity and mortality rate. If diabetes is diagnosed at an early stage, its severity and underlying risk factors can be significantly reduced. However, there is a shortage of labeled data and the occurrence of outliers or data missingness in clinical datasets that are reliable and effective for diabetes prediction, making it a challenging endeavor. Therefore, we introduce a newly labeled diabetes dataset from a South Asian nation (Bangladesh). In addition, we suggest an automated classification pipeline that includes a weighted ensemble of machine learning (ML) classifiers: Naive Bayes (NB), Random Forest (RF), Decision Tree (DT), XGBoost (XGB), and LightGBM (LGB). Grid search hyperparameter optimization is employed to tune the critical hyperparameters of these ML models. Furthermore, missing value imputation, feature selection, and K-fold cross-validation are included in the framework design. A statistical analysis of variance (ANOVA) test reveals that the performance of diabetes prediction significantly improves when the proposed weighted ensemble (DT + RF + XGB + LGB) is executed with the introduced preprocessing, with the highest accuracy of 0.735 and an area under the ROC curve (AUC) of 0.832. In conjunction with the suggested ensemble model, our statistical imputation and RF-based feature selection techniques produced the best results for early diabetes prediction. Moreover, the presented new dataset will contribute to developing and implementing robust ML models for diabetes prediction utilizing population-level data.
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