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All Journal HAYATI Journal of Biosciences Bulletin of Chemical Reaction Engineering & Catalysis INDONESIAN JOURNAL OF PHARMACY Indonesian Journal of Chemistry Unnes Journal of Public Health Narra J International Journal of Hydrological and Environmental for Sustainability Jurnal Natural Jurnal Kedokteran Hewan Heca Journal of Applied Sciences Malacca Pharmaceutics Leuser Journal of Environmental Studies Ekonomikalia Journal of Economics Journal of Educational Management and Learning Infolitika Journal of Data Science Indonesian Journal of Case Reports Indatu Journal of Management and Accounting Grimsa Journal of Science Engineering and Technology International Journal of Renewable Energy Development Journal Of Carbazon JURNAL REKAYASA KIMIA & LINGKUNGAN
Rinaldi Idroes
Department Of Chemistry, Faculty Of Mathematics And Natural Sciences, Universitas Syiah Kuala, Banda Aceh 23111, Indonesia
Agriculture, Biological Sciences & Forestry Astronomy Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Control & Systems Engineering Decision Sciences, Operations Research & Management Earth & Planetary Sciences Economics, Econometrics & Finance Education Electrical & Electronics Engineering Energy Engineering Environmental Science Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Neuroscience Physics Public Health Social Sciences Veterinary Other

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Journal : Heca Journal of Applied Sciences

 1 
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.
Characterizing the Size Distribution of Silver Nanoparticles Biofabricated Using Calotropis gigantea from Geothermal Zone Kemala, Pati; Khairan, Khairan; Ramli, Muliadi; Mauer Idroes, Ghazi; Mirda, Erisna; Setya Ningsih, Diana; Tallei, Trina Ekawati; 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.v1i2.21

Abstract

This research aims to synthesize silver nanoparticles (AgNPs) using an aqueous leaf extract of Calotropis gigantea obtained from the geothermal manifestation Ie Seu-Um, Aceh Besar, Aceh Province, Indonesia. The C. gigantea leaf extract was mixed with AgNO3 solutions at concentrations of 2, 5, and 9 mM, respectively. The mixture was stirred at 80 rpm by a magnetic stirrer for 48 hours in the dark. The change in solution color indicated the reduction of Ag+ to Ag0. The resulting AgNPs synthesized using C. gigantea leaf extract (AgNPs-LCg) exhibited cloudy grey, reddish dark brown, and light brown colors when synthesized with AgNO3 concentrations of 2, 5, and 9 mM, respectively. The particle sizes of AgNPs-LCg had maximum frequencies at 246.98 nm (synthesized using AgNO3 2 mM), 93.02 nm (synthesized using AgNO3 5 mM), and 171.25 nm (synthesized using AgNO3 9 mM). The zeta potential values of AgNPs-LCg using 2, 5, and 9 mM AgNO3 were -41.9, -40.1, and -31.4 mV, respectively. Based on the solution color, nanoparticle size, and stability value of AgNPs, it can be concluded that the use of AgNO3 at 5 mM is optimal for the green synthesis process of AgNPs-LCg.
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.
Chemometric Classification Model for Assessing Chemical Composition Alterations in Patchouli Oil Post Zeolite Adsorption Sufriadi, Elly; Meilina, Hesti; Munawar, Agus; Ezzat, Abdelrahman O.; 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.v1i2.86

Abstract

Various studies and applied processing by businesses have been done to improve the quality of Patchouli oil (PO), such as improving appearance, reducing heavy metal content, reducing acid numbers, and increasing the ratio of Patchouli alcohol (one of the active components of PO). However, this disregards the possibility of chemical composition change which will alter the original character of the PO. This study aims to identify the slightest shift in chemical composition from adding zeolite adsorbent into the PO. The classification model was built using Fourier transform infrared (FT-IR) spectra combined with chemometrics. The used FT-IR spectra for observation are 4000-500 cm-1 using Principal Component Analysis (PCA) and Partial Least Square-Discriminant Analysis (PLS-DA). The PO samples were from five points in Gayo Lues Regency, Province of Aceh, Indonesia, with PO added with zeolite at a ratio of 0.5%, 1.0%, 1.5%, 2.0%, and 2.5% (w/v) respectively. The classification model used in this study was able to classify between PO and PO added with zeolite at each level of the ratio. Prediction with deviation and Inlier vs. Hotelling’s T2 tests provide definitive information, with the results shown by the confusion matrix.
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 - Fakhrurrazi - Mahmud Abas, Abdul Hawil Adi Purnawarman, Adi Afidh, Razief Perucha Fauzie Agus Winarsih Ahmad, Khairunnas Ahmad, Noor Atinah Ahsya, Yahdina Akyuni, Qurrata Amirah, Kelsy Andri Yadi Paembonan Arini, Musfira Asep Rusyana Azhar, Fauzul Azharuddin Azharuddin BAKRI, TEDY KURNIAWAN Binawati Ginting Boy M. Bachtiar Claus Jacob Claus Jacob Claus Jacob, Claus Cundaningsih, Nurvita Deni Saputra Destiana, Khaerunisa Dharma, Aditia Dharma, Dian Budi Diah, Muhammad Dian Handayani Dian Lestari, Nova Diana Setya Ningsih, Diana Earlia, Nanda Eka Safitri EKA SAFITRI Eka Safitri El-Shazly, Mohamed Elisa Purwaendah Emran, Talha Bin Enitan, Seyi Samson Erkata Yandri Essy Harnelly Estevam, Ethiene Castellucci Ethiene Castellucci Estevam Eti Rohaeti Evi Yufita Ezzat, Abdelrahman O. Faddillah, Vira Faisal Abdullah Faisal, Farassa Rani Faradilla Faradilla FARADILLA, FARADILLA Farnida Farnida Fatimawali . Fauzi, Fazlin M. Fauzi, Fazlin Mohd Fazlin Mohd Fauzi Firaihanil Jannah Ghalieb Mutig Idroes Ghani, Azman Abdul Ghazi Mauer Idroes Haerul Anwar Hakim, Rachmi F. Hanafiah, Olivia A. Harera, Cheariva Firsa Hartono Hartono Hesti Meilina Hizir Sofyan Husdayanti, Noviana Ida Zahrina Idroes, Ghalieb Mutig Idroes, Ghazi M. Idroes, Ghifari M. Idroes, Ghifari Maulana Iin Shabrina Hilal Ilham Maulana Ilham Maulana Imelda, Eva Imran Imran Ira Maya Irma Sari Irsan Hardi Irvanizam, Irvanizam Isa, Illyas Md Ismail Ismail Isnaini, Nadia Isra Firmansyah, Isra Jannah, Firaihanil Jannah, Rizka Auliatul Jasin, Faisal M Kairupan, Tara S. Karl Herbert Schaefer Karl Herbert Schaefer, Karl Herbert Karomah, Alfi Hudatul Kemala, Pati Khairan . Khairan Khairan Khairan Khairan Khairan Khairan Khairan Khairan Khairan Khairan KHAIRI SUHUD Khairi Suhud Khalijah Awang Kurniadinur, Kurniadinur Kusumo, Fitranto Lala, Andi Lelifajri Lelifajri Lelifajri Lelifajri Lubis, Vanizra F. M. Rafi M. Yogi Riyantama Isjoni Madya, Muhammad Miftahul Mahmudi Mahmudi Maimun Syukri, Maimun Malahayati Malahayati MARIA BINTANG Maria Paristiowati Marwan Marwan Maulana, Aga Maulydia, Nur B. Maulydia, Nur Balqis Maysarah, Hilda Md Sani, Nor Diyana Mikyal Bulqiah, Mikyal Mirda, Erisna Misbullah, Alim Misrahanum Misrahanum Mohamed Yusof, Nur Intan Saidaah Mohd Fauzi, Fazlin Mohsina Patwekar Mubaraq, Farhil Muhammad Bahi Muhammad Bahi Muhammad Bahi Muhammad Bahi Muhammad Diah Muhammad Ridha Adhari, Muhammad Ridha Muhammad Subianto Muhammad Yanis Muhammad Yusuf Mukhlisuddin Ilyas Muliadi Ramli Munawar, Agus Murniana Murniana Mursal Mursal Mursyida, Waliam Musdalifah, Annisa Muslem Muslem, Muslem Muzakir N. Nazaruddin Nabila, Fiki Farah Nainggolan, Sarah Ika Nanda Earlia Nasrullah Idris Nasrullah Idris NAZARUDDIN NAZARUDDIN Nazaruddin Nazaruddin Neonufa, Godlief Frederick Ningsih, Diana S. Niode, Nurdjannah Jane Nor Diyana Md Sani Novi Reandy Sasmita Noviandy, Teuku R. Nugraha, Gartika Nur Balqis Maulydia Nur, Adrian Rahmat Nurdjannah J. Niode Nurleila, Nurleila Nurul Khaira Oesman, Frida Patwekar, Faheem Patwekar, Mohsina Prakoeswa, Cita RS. Purwaendah, Elisa Putra, Noviandi I. Qurrata Akyuni Rahmadi Rahmadi Rahmadi Rahmadi Rahman, Isra Farliadi Rahman, Sunarti Abd Raihan Raihan Raihan Raihan, Raihan Raudhatul Jannah Razief Perucha Fauzie Afidh Ringga, Edi Saputra Rizka Auliatul Jannah Rizkia, Tatsa Romadhoni, Yenni Rusdi Andid Safhadi, Aulia Al-Jihad Saiful . Saiful Saiful Salaswati, Salaswati Salsabila, Indah Sasmita, Novi Reandy Satrio, Justinus Septaningsih, Dewi Anggraini Shafira, Ghina A. Siti Aisyah Solly Aryza Souvia Rahimah Sufriadi, Elly sufriani, sufriani Sugara, Dimas Rendy Suhendra, Rivansyah Suhud, Khairi Supriatno Supriatno Supriatno Suryadi Suryadi Suryawati Suryawati Taopik Ridwan Taufik Ridwan Taufiq Karma Teuku Rizky Noviandy Teuku Zulfikar Thomas Schneider Thomas Schneider, Thomas Triana Hertiani Trina E. Tallei, Trina E. Trina Ekawati Tallei TRINA EKAWATI TALLEI Tuti Fadlilah Zahraty, Ifrah Zahriah, Zahriah Zhilalmuhana, Teuku Zuchra Helwani, Zuchra Zulfiani, Utari Zulkarnain Jalil Zulkarnain Jalil