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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 : Infolitika Journal of Data Science

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Machine Learning Approach for Diabetes Detection Using Fine-Tuned XGBoost Algorithm Maulana, Aga; Faisal, Farassa Rani; Noviandy, Teuku Rizky; Rizkia, Tatsa; Idroes, Ghazi Mauer; Tallei, Trina Ekawati; El-Shazly, Mohamed; Idroes, Rinaldi
Infolitika Journal of Data Science Vol. 1 No. 1 (2023): September 2023
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/ijds.v1i1.72

Abstract

Diabetes is a chronic condition characterized by elevated blood glucose levels which leads to organ dysfunction and an increased risk of premature death. The global prevalence of diabetes has been rising, necessitating an accurate and timely diagnosis to achieve the most effective management. Recent advancements in the field of machine learning have opened new possibilities for improving diabetes detection and management. In this study, we propose a fine-tuned XGBoost model for diabetes detection. We use the Pima Indian Diabetes dataset and employ a random search for hyperparameter tuning. The fine-tuned XGBoost model is compared with six other popular machine learning models and achieves the highest performance in accuracy, precision, sensitivity, and F1-score. This study demonstrates the potential of the fine-tuned XGBoost model as a robust and efficient tool for diabetes detection. The insights of this study advance medical diagnostics for efficient and personalized management of diabetes.
ANFIS-Based QSRR Modelling for Kovats Retention Index Prediction in Gas Chromatography Idroes, Rinaldi; Noviandy, Teuku Rizky; Maulana, Aga; Suhendra, Rivansyah; Sasmita, Novi Reandy; Muslem, Muslem; Idroes, Ghazi Mauer; Jannah, Raudhatul; Afidh, Razief Perucha Fauzie; Irvanizam, Irvanizam
Infolitika Journal of Data Science Vol. 1 No. 1 (2023): September 2023
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/ijds.v1i1.73

Abstract

This study aims to evaluate the implementation and effectiveness of the Adaptive Neuro-Fuzzy Inference System (ANFIS) based Quantitative Structure Retention Relationship (QSRR) to predict the Kovats retention index of compounds in gas chromatography. The model was trained using 340 essential oil compounds and their molecular descriptors. The evaluation of the ANFIS models revealed promising results, achieving an R2 of 0.974, an RMSE of 48.12, and an MAPE of 3.3% on the testing set. These findings highlight the ANFIS approach as remarkably accurate in its predictive capacity for determining the Kovats retention index in the context of gas chromatography. This study provides valuable perspectives on the efficiency of retention index prediction through ANFIS-based QSRR methods and the potential practicality in compound analysis and chromatographic optimization.
Ensemble Machine Learning Approach for Quantitative Structure Activity Relationship Based Drug Discovery: A Review Noviandy, Teuku Rizky; Maulana, Aga; Idroes, Ghazi Mauer; Emran, Talha Bin; Tallei, Trina Ekawati; Helwani, Zuchra; Idroes, Rinaldi
Infolitika Journal of Data Science Vol. 1 No. 1 (2023): September 2023
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/ijds.v1i1.91

Abstract

This comprehensive review explores the pivotal role of ensemble machine learning techniques in Quantitative Structure-Activity Relationship (QSAR) modeling for drug discovery. It emphasizes the significance of accurate QSAR models in streamlining candidate compound selection and highlights how ensemble methods, including AdaBoost, Gradient Boosting, Random Forest, Extra Trees, XGBoost, LightGBM, and CatBoost, effectively address challenges such as overfitting and noisy data. The review presents recent applications of ensemble learning in both classification and regression tasks within QSAR, showcasing the exceptional predictive accuracy of these techniques across diverse datasets and target properties. It also discusses the key challenges and considerations in ensemble QSAR modeling, including data quality, model selection, computational resources, and overfitting. The review outlines future directions in ensemble QSAR modeling, including the integration of multi-modal data, explainability, handling imbalanced data, automation, and personalized medicine applications while emphasizing the need for ethical and regulatory guidelines in this evolving field.
Maternal Health Risk Detection Using Light Gradient Boosting Machine Approach Noviandy, Teuku Rizky; Nainggolan, Sarah Ika; Raihan, Raihan; Firmansyah, Isra; Idroes, Rinaldi
Infolitika Journal of Data Science Vol. 1 No. 2 (2023): December 2023
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/ijds.v1i2.123

Abstract

Maternal health risk detection is crucial for reducing morbidity and mortality among pregnant women. In this study, we employed the Light Gradient Boosting Machine (LightGBM) model to identify risk levels using data from rural healthcare facilities. The dataset included key health indicators aligned with the United Nations Sustainable Development Goals. The LightGBM model underwent rigorous optimization through hyperparameter tuning and 10-fold cross-validation. Its predictive performance was benchmarked against other algorithms using accuracy, precision, recall, and F1-score, with feature importance assessed to identify critical risk predictors. The LightGBM model demonstrating the highest performance across all metrics. The results underscore the value of advanced machine learning techniques in public health. Future research directions include expanding the demographic scope, incorporating temporal data, and enhancing model transparency. This study highlights the transformative potential of machine learning in maternal healthcare, providing a foundation for improved risk detection and proactive healthcare interventions.
Optimizing Geothermal Power Plant Locations in Indonesia: A Multi-Objective Optimization on The Basis of Ratio Analysis Approach Rahman, Isra Farliadi; Misbullah, Alim; Irvanizam, Irvanizam; Yusuf, Muhammad; Maulana, Aga; Marwan, Marwan; Dharma, Dian Budi; Idroes, Rinaldi
Infolitika Journal of Data Science Vol. 2 No. 1 (2024): May 2024
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/ijds.v2i1.184

Abstract

As the global energy landscape shifts towards sustainable sources, geothermal energy emerges as a pivotal renewable resource, particularly in regions with abundant geothermal potential like Indonesia. This study focuses on Mount Seulawah in Aceh Province, a region rich in geothermal resources, to optimize the selection of geothermal power plant (GPP) sites using the Multi-Objective Optimization on the Basis of Ratio Analysis (MOORA) method. Our approach integrates environmental, technical, and accessibility criteria, including distance to settlements, land slope, proximity to fault lines and heat sources, and road access. By employing a structured decision matrix and applying MOORA, we systematically evaluated and ranked potential sites based on their suitability for GPP development. The results highlight the site at Ie Brôuk as the most optimal due to its minimal environmental impact and superior geological and accessibility conditions. This study not only contributes to the strategic deployment of geothermal resources in Indonesia but also provides a replicable model for other regions with similar geothermal potentials, emphasizing the importance of a balanced and informed approach to renewable energy site selection.
Backpropagation Neural Network-Based Prediction of Kovats Retention Index for Essential Oil Compounds Safhadi, Aulia Al-Jihad; Noviandy, Teuku Rizky; Irvanizam, Irvanizam; Suhendra, Rivansyah; Karma, Taufiq; Idroes, Rinaldi
Infolitika Journal of Data Science Vol. 2 No. 1 (2024): May 2024
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/ijds.v2i1.197

Abstract

The identification of chemical compounds in essential oils is crucial in industries such as pharmaceuticals, perfumery, and food. Kovats Retention Index (RI) values are essential for compound identification using gas chromatography-mass spectrometry (GC-MS). Traditional RI determination methods are time-consuming, labor-intensive, and susceptible to experimental variability. Recent advancements in data science suggest that artificial intelligence (AI) can enhance RI prediction accuracy and efficiency. However, the full potential of AI, particularly artificial neural networks (ANN), in predicting RI values remains underexplored. This study develops a backpropagation neural network (BPNN) model to predict the Kovats RI values of essential oil compounds using five molecular descriptors: ATSc1, VCH-7, SP-1, Kier1, and MLogP. We trained the BPNN on a dataset of 340 essential oil compounds and optimized it through hyperparameter tuning. We show that the optimized BPNN model, with an epoch count of 100, a learning rate of 0.1, a hidden layer size of 10 neurons, and the ReLU activation function, achieves an R² value of 0.934 and a Root Mean Squared Error (RMSE) of 76.98. These results indicate a high correlation between predicted and actual RI values and a low average prediction error. Our findings demonstrate that BPNNs can significantly improve the efficiency and accuracy of compound identification, reducing reliance on traditional experimental methods.
Artificial Neural Network–Particle Swarm Optimization Approach for Predictive Modeling of Kovats Retention Index in Essential Oils Kurniadinur, Kurniadinur; Noviandy, Teuku Rizky; Idroes, Ghazi Mauer; Ahmad, Noor Atinah; Irvanizam, Irvanizam; Subianto, Muhammad; Idroes, Rinaldi
Infolitika Journal of Data Science Vol. 2 No. 2 (2024): November 2024
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/ijds.v2i2.220

Abstract

The Kovats retention index is a critical parameter in gas chromatography used for the identification of volatile compounds in essential oils. Traditional methods for determining the Kovats retention index are often labor-intensive, time-consuming, and prone to inaccuracies due to variations in experimental conditions. This study presents a novel approach combining Artificial Neural Networks (ANN) with Particle Swarm Optimization (PSO) to predict the Kovats retention index of essential oil compounds more accurately and efficiently. The ANN-PSO hybrid model leverages the strengths of both techniques: the ANN's capacity to model complex nonlinear relationships and PSO's capability to optimize hyperparameters by finding the global optimum. The model was trained using a dataset of 340 essential oil compounds with molecular descriptors, with the performance evaluated based on Root Mean Squared Error (RMSE) and Mean Absolute Percentage Error (MAPE). Results indicate that a simpler ANN configuration with one hidden neuron achieved the lowest RMSE (80.16) and MAPE (5.65%), suggesting that the relationship between the molecular descriptors and the Kovats retention index is not overly complex. This study demonstrates that the ANN-PSO model can serve as an effective tool for predictive modeling of the Kovats retention index, reducing the need for experimental procedures and improving analytical efficiency in essential oil research.
Advanced Anemia Classification Using Comprehensive Hematological Profiles and Explainable Machine Learning Approaches Noviandy, Teuku Rizky; Idroes, Ghifari Maulana; Suhendra, Rivansyah; Bakri, Tedy Kurniawan; Idroes, Rinaldi
Infolitika Journal of Data Science Vol. 2 No. 2 (2024): November 2024
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/ijds.v2i2.237

Abstract

Anemia is a common health issue with serious clinical effects, making timely and accurate diagnosis essential to prevent complications. This study explores the use of machine learning (ML) methods to classify anemia and its subtypes using detailed hematological data. Six ML models were tested: Gradient Boosting, Random Forest, Naive Bayes, Logistic Regression, Support Vector Machine, and K-Nearest Neighbors. The dataset was preprocessed using feature standardization and the Synthetic Minority Oversampling Technique (SMOTE) to address class imbalance. Gradient Boosting delivered the highest accuracy, sensitivity, and F1-score, establishing itself as the top-performing model. SHapley Additive exPlanations (SHAP) analysis was applied to enhance model interpretability, identifying key predictive features. This study highlights the potential of explainable ML to develop efficient, accurate, and scalable tools for anemia diagnosis, fostering improved healthcare outcomes globally.
Explainable Deep Learning with Lightweight CNNs for Tuberculosis Classification Noviandy, Teuku Rizky; Idroes, Ghazi Mauer; Zulfikar, Teuku; Idroes, Rinaldi
Infolitika Journal of Data Science Vol. 3 No. 1 (2025): May 2025
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/ijds.v3i1.305

Abstract

Tuberculosis (TB) remains a major global health threat, particularly in low-resource settings where timely diagnosis is critical yet often limited by the lack of radiological expertise. Chest X-rays (CXRs) are widely used for TB screening, but manual interpretation is prone to errors and variability. While deep learning has shown promise in automating CXR analysis, most existing models are computationally intensive and lack interpretability, limiting their deployment in real-world clinical environments. To address this gap, we evaluated three lightweight and explainable CNN architectures, ShuffleNetV2, SqueezeNet 1.1, and MobileNetV3, for binary TB classification using a locally sourced dataset of 3,008 CXR images. Using transfer learning and Grad-CAM for visual explanation, we show that MobileNetV3 and ShuffleNetV2 achieved perfect test performance with 100% accuracy, sensitivity, specificity, precision, and F1-score, along with AUC scores of 1.00 and inference times of 94.66 and 103.63 seconds, respectively. SqueezeNet performed moderately, with a lower F1-score of 82.98% and several misclassifications. These results demonstrate that lightweight CNNs can deliver high diagnostic accuracy and transparency, supporting their use in scalable, AI-assisted TB screening systems for underserved healthcare settings.
Inductive Biases in Feature Reduction for QSAR: SHAP vs. Autoencoders Noviandy, Teuku Rizky; Idroes, Ghifari Maulana; Lala, Andi; Helwani, Zuchra; Idroes, Rinaldi
Infolitika Journal of Data Science Vol. 3 No. 1 (2025): May 2025
Publisher : Heca Sentra Analitika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.60084/ijds.v3i1.306

Abstract

Machine learning models in drug discovery often depend on high-dimensional molecular descriptors, many of which may be redundant or irrelevant. Reducing these descriptors is essential for improving model performance, interpretability, and computational efficiency. This study compares two widely used reduction strategies: SHAP-based feature selection and autoencoder-based compression, within the context of Quantitative Structure-Activity Relationship (QSAR) classification. LightGBM is used as a consistent modeling framework to evaluate models trained on all descriptors, the top 50 and 100 SHAP-ranked descriptors, and a 64-dimensional autoencoder embedding. The results show that SHAP-based selection produces interpretable and stable models with minimal performance loss, particularly when using the top 100 descriptors. In contrast, the autoencoder achieves the highest test performance by capturing nonlinear patterns in a compact, low-dimensional representation, although this comes at the cost of interpretability and consistency across data splits. These findings reflect the differing inductive biases of each method. SHAP prioritizes sparsity and attribution, while autoencoders focus on reconstruction and continuity. The analysis emphasizes that descriptor reduction strategies are not interchangeable. SHAP-based selection is suitable for applications where interpretability and reliability are essential, such as in hypothesis-driven or regulatory settings. Autoencoders are more appropriate for performance-driven tasks, including virtual screening. The choice of reduction strategy should be guided not only by performance metrics but also by the specific modeling requirements and assumptions relevant to cheminformatics workflows.
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