Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
Permanent URI for this collectionhttps://hdl.handle.net/11147/7148
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Article Machine Learning Integrated Solvothermal Liquefaction of Lignocellulosic Biomass to Maximize Bio-Oil Yield(Elsevier Sci Ltd, 2025) Ocal, Bulutcem; Sildir, Hasan; Yuksel, AsliAccelerating consumption of limited fossil-based for economic growth and simultaneously mitigating greenhouse gas emissions create a dilemma that is waiting to be solved by researchers. In this context, solvothermal liquefaction of lignocellulosic biomass to produce bio-oil is a promising way to obtain green energy. However, maximizing bio-oil is challenging to optimize the operating parameters employing conventional techniques due to the complexity and non-linearity of the process. Lately, machine learning approaches have become powerful tools for addressing complex nonlinear problems by predicting process behavior and regulating operating parameters for optimization by learning from datasets. The current research demonstrates integrating experimental and a developed artificial neural network model to optimize solvothermal liquefaction of pinus brutia, based on temperature, water fraction, and biomass amount in maximizing bio-oil generation for the first time. The highest bio-oil yields were obtained at 31.40 %, 18.68 %, and 39.69 %, respectively, with 4 and 8 g biomass in the presence of water, ethanol, and water/ethanol mixture at 240 degrees C. Under the model conditions, the maximum biooil yield was experimentally verified at 46.20%, which was predicted at 48.8 %. Beyond providing accurate yield predictions, the approach highlights the potential of date-driven modeling to reduce experimental workload and cost while aiding parameter selection to improve efficiency. These outcomes emphasize the importance of machine learning integration into liquefaction process, providing remarkable results for future process design, optimization, and scalability. On the other hand, the study also includes characterization results (ultimate, proximate, FTIR, and GC-MS) of selected products and pinus brutia.Article FW-S3KIFCM: Feature Weighted Safe-Semi Kernel-Based Intuitionistic Fuzzy C-Means Clustering Method(Tsinghua Univ Press, 2025) Khezri, Shirin; Aghazadeh, Nasser; Hashemzadeh, Mahdi; Oskouei, Amin GolzariSemi-supervised clustering (SSC) methods have emerged as a notable research area in machine learning. These methods integrate prior knowledge of class distribution into their clustering process. Despite their efficiency and straightforwardness, SSCs encounter some fundamental issues. Generally, the proportion of unlabeled data surpasses that of labeled data. Consequently, handling the uncertainty of unlabeled data becomes difficult. This issue is frequently related to numerous real-world problems. On the other hand, existing SSC techniques fail to differentiate between the varied attributes within the feature space. When forming clusters, they presume uniform significance for all attributes, disregarding potential variations in feature importance. This presumption hinders the creation of optimal clusters. Furthermore, all existing approaches employ the Euclidean distance metric, susceptible to noise and outliers. This paper proposes a robust safe-semi-supervised clustering algorithm to mitigate these shortcomings. For the first time, this approach combines two concepts of Intuitionistic Fuzzy C-Means (IFCM) clustering and Safe-Semi-Supervised Fuzzy C-Means (S3FCM) clustering to address the uncertainty problem in unlabeled data. Also, it uses a kernel function as a distance metric to tackle noise and outliers. Additionally, incorporating a feature weighting parameter in the objective function highlights the importance of significant features in creating optimal clusters. The effectiveness of the proposed method is thoroughly evaluated on various benchmark datasets, and its performance is compared with state-of-the-art methods. The results show the superiority of the proposed method over its competitors.Article Integrating QSAR Analysis and Machine Learning To Explore the Antidiabetic Potential of Natural Compounds(AMG Transcend Association, 2025) Sincar, B.; Yalcin, D.; Bayraktar, O.This study explores the antidiabetic potential of 72 natural compounds using molecular descriptors and QSAR modeling combined with machine learning techniques. The dataset includes 11 experimentally obtained compounds and 61 from the literature, characterized by their IC50 values indicating 50% inhibition of α-glucosidase enzyme activity. Molecular descriptors were generated using ChemAxon’s MarvinSketch and PADEL software, narrowing down over 3000 descriptors to 23 relevant features. Statistical analysis revealed significant multicollinearity among variables, necessitating the application of non-linear machine learning models, namely Random Forest and Gradient Boosting. These models demonstrated predictive capabilities with R² values of 0.7751 and 0.8066, respectively, and highlighted molecular weight and the number of heteroatoms in ring structures as critical features influencing IC50 values. Despite the dataset's variability and limited size, the study underscores the potential of integrating QSAR and machine learning approaches to effectively predict the antidiabetic activity of natural compounds. The findings provide valuable insights for advancing computational methods in drug discovery. © 2025 by the authors.Article Citation - Scopus: 4Quasi-Supervised Strategies for Compound-Protein Interaction Prediction(John Wiley and Sons Inc, 2022) Çakı, O.; Karaçalı, B.In-silico compound-protein interaction prediction addresses prioritization of drug candidates for experimental biochemical validation because the wet-lab experiments are time-consuming, laborious and costly. Most machine learning methods proposed to that end approach this problem with supervised learning strategies in which known interactions are labeled as positive and the rest are labeled as negative. However, treating all unknown interactions as negative instances may lead to inaccuracies in real practice since some of the unknown interactions are bound to be positive interactions waiting to be identified as such. In this study, we propose to address this problem using the Quasi-Supervised Learning (QSL) algorithm. In this framework, potential interactions are predicted by estimating the overlap between a true positive dataset of compound-protein pairs with known interactions and an unknown dataset of all the remaining compound-protein pairs. The potential interactions are then identified as those in the unknown dataset that overlap with the interacting pairs in the true positive dataset in terms of the associated similarity structure. We also address the class-imbalance problem by modifying the conventional cost function of the QSL algorithm. Experimental results on GPCR and Nuclear Receptor datasets show that the proposed method can identify actual interactions from all possible combinations. © 2021 Wiley-VCH GmbH.