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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.
Evaluation of Gradient Boosted Classifier in Atopic Dermatitis Severity Score Classification Suhendra, Rivansyah; Suryadi, Suryadi; Husdayanti, Noviana; Maulana, Aga; Noviandy, Teuku Rizky; Sasmita, Novi Reandy; Subianto, Muhammad; Earlia, Nanda; Niode, Nurdjannah Jane; Idroes, Rinaldi
Heca Journal of Applied Sciences Vol. 1 No. 2 (2023): October 2023
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/hjas.v1i2.85

Abstract

This study investigates the application of the Gradient Boosting machine learning technique to enhance the classification of Atopic Dermatitis (AD) skin disease images, reducing the potential for manual classification errors. AD, also known as eczema, is a common and chronic inflammatory skin condition characterized by pruritus (itching), erythema (redness), and often lichenification (thickening of the skin). AD affects individuals of all ages and significantly impacts their quality of life. Accurate and efficient diagnostic tools are crucial for the timely management of AD. To address this need, our research encompasses a multi-step approach involving data preprocessing, feature extraction using various color spaces and evaluating classification outcomes through Gradient Boosting. The results demonstrate an accuracy of 93.14%. This study contributes to the field of dermatology by providing a robust and reliable tool to support dermatologists in identifying AD skin disease, facilitating timely intervention and improved patient care.
Evaluating Geothermal Power Plant Sites with Additive Ratio Assessment: Case Study of Mount Seulawah Agam, Indonesia Azhar, Fauzul; Misbullah, Alim; Lala, Andi; Idroes, Ghazi Mauer; Kusumo, Fitranto; Noviandy, Teuku Rizky; Irvanizam, Irvanizam; Idroes, Rinaldi
Heca Journal of Applied Sciences Vol. 2 No. 1 (2024): March 2024
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/hjas.v2i1.158

Abstract

Indonesia, a country rich in geothermal resources, has yet to fully exploit its potential, particularly in volcanic regions like Mount Seulawah Agam. This study investigates the application of the Additive Ratio Assessment (ARAS) method for the site selection of Geothermal Power Plants (GPP) in Indonesia. The ARAS method provides a systematic approach to evaluating and prioritizing geothermal development sites by integrating multiple criteria, including geological, environmental, and socio-economic factors. The study collects data from various sources and weights criteria using the Ordinal Priority Approach (OPA), incorporating expert opinions. The findings demonstrate the effectiveness of the ARAS method in identifying optimal locations for GPP development, ensuring sustainability and feasibility. The study also tests the ARAS method in existing GPP locations in Jaboi, Sabang, Indonesia, to investigate alignment with the results and validate the approach. Furthermore, the study presents recommendations for GPP site selection. This research emphasizes the significance of multi-criteria decision-making techniques in facilitating renewable energy projects. It promotes a more systematic and informed approach to geothermal energy development in Indonesia and other geothermal-rich regions.
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.
Predicting AXL Tyrosine Kinase Inhibitor Potency Using Machine Learning with Interpretable Insights for Cancer Drug Discovery Noviandy, Teuku Rizky; Idroes, Ghifari Maulana; Harnelly, Essy; Sari, Irma; Fauzi, Fazlin Mohd; Idroes, Rinaldi
Heca Journal of Applied Sciences Vol. 3 No. 1 (2025): March 2025
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/hjas.v3i1.270

Abstract

AXL tyrosine kinase plays a critical role in cancer progression, metastasis, and therapy resistance, making it a promising target for therapeutic intervention. However, traditional drug discovery methods for developing AXL inhibitors are resource-intensive, time-consuming, and often fail to provide detailed insights into molecular determinants of potency. To address this gap, we applied machine learning techniques, including Random Forest, Gradient Boosting, Support Vector Regression, and Decision Tree models, to predict the potency (pIC50) of AXL inhibitors using a dataset of 972 compounds with 550 molecular descriptors. Our results demonstrate that the Random Forest model outperformed others with an R² of 0.703, MAE of 0.553, RMSE of 0.720, and PCC of 0.841, showcasing strong predictive accuracy. SHAP analysis identified critical molecular features, such as RNCG and TopoPSA(NO), as key contributors to inhibitor potency, providing interpretable insights into structure-activity relationships. These findings highlight the potential of machine learning to accelerate the identification and optimization of AXL inhibitors, bridging the gap between computational predictions and rational drug design and paving the way for effective cancer therapeutics.
Co-Authors Abas, Abdul Hawil Abd Rahman, Sunarti Abdullah, Rusli Abrar , Tajul Adi Purnawarman, Adi Afidh, Razief Perucha Fauzie Afjal, Mohd Ahmad Watsiq Maula Ahmad, Noor Atinah Ahsya, Yahdina Alfharijy, Muhammad Daffa Amalia Amalia Amalina, Faizah Amirah, Kelsy Amri Amin Anisah Aprianto . Apriliansyah, Feby Asep Rusyana Azhar, Fauzul Azzuhry , Haikal Baehaqi Bahri, Ridzky Aulia BAKRI, TEDY KURNIAWAN Dahlawy, Arriz Dharma, Aditia Dian Handayani Dian Lestari, Nova Dimas Chaerul Ekty Saputra Earlia, Nanda Effendy, Amalia Eko Suhartono El-Shazly, Mohamed Emran, Talha Bin Enitan, Seyi Samson Erkata Yandri Essy Harnelly Eva Herlina Faisal, Farassa Rani Fajri, Irfan Fatani, Muhammad Fath, Teuku Nadhif Al Fauzi, Fazlin Mohd Furqan, Nurul Ghazi Mauer Idroes Hafizah, Iffah Hardia, Natasha Athira Keisha Hewindati, Yuni Tri Hidayatullah, Ferdy Hizir Sofyan Husdayanti, Noviana Idroes, Ghalieb Mutig Idroes, Ghifari Maulana Iin Shabrina Hilal Imelda, Eva Imran Imran Irma Sari Irsan Hardi Irvanizam, Irvanizam Isa, Illyas Md Isra Firmansyah, Isra Kadri, Mirzatul Kamarudin, Syafila Khairan Khairan Khairul, Mhd Khairul, Moh Khairun Nisa Kruba, Rumaisa Kurniadinur, Kurniadinur Kusumo, Fitranto Lala, Andi Lindawati Lindawati Maimun Syukri, Maimun Mardalena, Selvi Maria Paristiowati Marwan Marwan Maulana, Aga Maulydia, Nur Balqis Misbullah, Alim Mohamed Yusof, Nur Intan Saidaah Mohd Fauzi, Fazlin Muhammad Adam, Muhammad Muhammad Faisal Muhammad Subianto Muhammad Yanis Muhammad Yusuf Muhtadin Muhtadin Mukhlisuddin Ilyas Muksalmina Muksalmina Muliadi Mursyida, Waliam Muslem Muslem, Muslem Mutaqin, Raihan Nainggolan, Sarah Ika Nazirah, Nurul Niode, Nurdjannah Jane Nizamuddin Nizamuddin Nurleila, Nurleila Patwekar, Faheem Patwekar, Mohsina Rahmawati, Cut Raihan Raihan, Raihan Ramadeska, Siti Raudhatul Jannah Ray, Samrat Razief Perucha Fauzie Afidh Rinaldi Idroes Ringga, Edi Saputra Rizkia, Tatsa Ryan Setiawan Safhadi, Aulia Al-Jihad Sasmita, Novi Reandy Satrio, Justinus Sofyan, Rahmi Solly Aryza Souvia Rahimah Sufri, Rahmat sufriani, sufriani Sugara, Dimas Rendy Suhendra , Rivansyah Suhendra, Rivansyah Suhendrayatna Suhendrayatna Suryadi Suryadi Syahyana, Ahmad Taufiq Karma Tety Sriana Teuku Zulfikar TRINA EKAWATI TALLEI Utami, Resty Tamara Zahriah, Zahriah Zardi, Muhammad Zhilalmuhana, Teuku Zuchra Helwani, Zuchra Zulkarnain Jalil Zurnila Marli Kesuma