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Journal : Heca Journal of Applied Sciences

QSAR Classification of Beta-Secretase 1 Inhibitor Activity in Alzheimer's Disease Using Ensemble Machine Learning Algorithms Noviandy, Teuku Rizky; Maulana, Aga; Emran, Talha Bin; Idroes, Ghazi Mauer; Idroes, Rinaldi
Heca Journal of Applied Sciences Vol. 1 No. 1 (2023): June 2023
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/hjas.v1i1.12

Abstract

This study focuses on the development of a machine learning ensemble approach for the classification of Beta-Secretase 1 (BACE1) inhibitors in Quantitative Structure-Activity Relationship (QSAR) analysis. BACE1 is an enzyme linked to the production of amyloid beta peptide, a significant component of Alzheimer's disease plaques. The discovery of effective BACE1 inhibitors is difficult, but QSAR modeling offers a cost-effective alternative by predicting the activity of compounds based on their chemical structures. This study evaluates the performance of four machine learning models (Random Forest, AdaBoost, Gradient Boosting, and Extra Trees) in predicting BACE1 inhibitor activity. Random Forest achieved the highest performance, with a training accuracy of 98.65% and a testing accuracy of 82.53%. In addition, it exhibited superior precision, recall, and F1-score. Random Forest's superior performance was a result of its ability to capture a wide variety of patterns and its randomized ensemble approach. Overall, this study demonstrates the efficacy of ensemble machine learning models, specifically Random Forest, in predicting the activity of BACE1 inhibitors. The findings contribute to ongoing efforts in Alzheimer's disease drug discovery research by providing a cost-effective and efficient strategy for screening and prioritizing potential BACE1 inhibitors.
Explainable Deep Learning Approach for Mpox Skin Lesion Detection with Grad-CAM Idroes, Ghazi Mauer; Noviandy, Teuku Rizky; Emran, Talha Bin; Idroes, Rinaldi
Heca Journal of Applied Sciences Vol. 2 No. 2 (2024): September 2024
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/hjas.v2i2.216

Abstract

Mpox is a viral zoonotic disease that presents with skin lesions similar to other conditions like chickenpox, measles, and hand-foot-mouth disease, making accurate diagnosis challenging. Early and precise detection of mpox is critical for effective treatment and outbreak control, particularly in resource-limited settings where traditional diagnostic methods are often unavailable. While deep learning models have been applied successfully in medical imaging, their use in mpox detection remains underexplored. To address this gap, we developed a deep learning-based approach using the ResNet50v2 model to classify mpox lesions alongside five other skin conditions. We also incorporated Grad-CAM (Gradient-weighted Class Activation Mapping) to enhance model interpretability. The results show that the ResNet50v2 model achieved an accuracy of 99.33%, precision of 99.34%, sensitivity of 99.33%, and an F1-score of 99.32% on a dataset of 1,594 images. Grad-CAM visualizations confirmed that the model focused on relevant lesion areas for its predictions. While the model performed exceptionally well overall, it struggled with misclassifications between visually similar diseases, such as chickenpox and mpox. These results demonstrate that AI-based diagnostic tools can provide reliable, interpretable support for clinicians, particularly in settings with limited access to specialized diagnostics. However, future work should focus on expanding datasets and improving the model's capacity to distinguish between similar conditions.