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59 articles for “cross-validation”
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Genomic Selection for Grain Yield in Wheat Using Machine Learning on DArT Molecular Markers: A Comparative Evaluation Across Multi-Environment Trials
Abstract: Genomic selection (GS) predicts complex quantitative traits directly from genome-wide molecular markers, bypassing the need for extensive phenotypic trials and accelerating plant breeding cycles. We conducted a comparative evaluation of seven regression approaches — ridge regression (the machine-learning equivalent of RR-BLUP), Lasso, Elastic Net, Partial Least Squares, linear Support Vector Regression, Random Forest, and Gradient Boosting — for predicting grain yield from 1,279 Diversity Array Technology (DArT) molecular markers genotyped …
Published in Research and Reviews : Journal of Computational Biology · Vol. 15, Issue 2, 2026 Read article
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A Factorial Investigation of Hyperparameter Tuning Strategies for Lasso- Based Genomic Prediction
Abstract: In an earlier comparative study of machine-learning methods for genomic prediction of wheat grain yield, we reported a counter-intuitive result: automated nested-cross-validation tuning of the Lasso regularization penalty reduced mean predictive ability relative to a fixed, arbitrarily chosen penalty (mean Pearson r falling from 0.408 to 0.349 across four environments), the opposite of the expected effect of hyperparameter tuning. We hypothesized two possible explanations at the time — high-variance penalty …
Published in Research and Reviews : Journal of Computational Biology · Vol. 15, Issue 2, 2026 Read article
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Analyzing the Role of Fiber Composition in Drying Behavior: A Comparative and Predictive Approach
Abstract: This research presents a comprehensive analysis of the drying behavior and thermal response of three distinct fabric types: 100% Cotton, 100% Polyester, and a Polyester blend (65/35), under meticulously controlled environmental conditions. The Polyester blend (65/35) consists of 65% Polyester and 35% Cotton, combining characteristics of both fibers. The investigation focuses on understanding how fiber composition impacts drying time, moisture retention, and thermal characteristics. Experimental trials were conducted using standardized …
Published in Journal of Polymer & Composites · Vol. 13, Issue 5, 2025 · pp. 1–11 Read article
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Pharmacophore mapping, 3D QSAR, docking, and ADME prediction studies of novel Benzothiazinone derivatives
Abstract: Background Tuberculosis is a major public health concern worldwide which is caused by Mycobacterium tuberculosis. DprE1 (Decaprenyl Phosphoryl Ribose 2’- Epimerase) is the most challenging target for development of novel anti- tubercular agents because it is a small protein and located into cytoplasmic membrane. So, novel anti-TB drugs did not bound effectively with it. DprE1 catalyzes the oxidation of the 2’ hydroxyl group of DPR (Decaprenyl Phosphoryl D- Ribose) …
Published in International Journal of Antibiotics · Vol. 1, Issue 1, 2024 · pp. 59–82 Read article
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Predicting Dielectric Constants of Polymers Using Molecular Structural Descriptors and Explainable Machine Learning: A Data-Driven Approach
Abstract: Accurate prediction of dielectric constants in polymeric materials is fundamental to the rational design of advanced electronic components, energy storage capacitors, flexible substrates, and high-frequency communication circuits. Conventional approaches to identifying suitable polymer dielectrics rely on extensive experimental synthesis and characterisation, which are both time-consuming and resource-intensive. In this work, an explainable machine learning framework is developed to predict the dielectric constant of polymers directly from molecular structural descriptors derived …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 297–304 Read article
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DFT/Data Guided Predictive Modelling of Absorption Maxima in the OLED Rubrene Derivatives
Abstract: This study investigates the optical properties of rubrene derivatives to develop an accurate predictive model for absorption maxima using computational chemistry and chemoinformatic techniques. We benchmarked various quantum chemical methods, identifying that the M06-2X/aug-cc-pVDZ method in dichloromethane (DCM) provided the strongest correlation with experimental data. Key molecular descriptors such as band gap, ionization potential, and electrophilicity index were calculated and analyzed using principal component analysis (PCA) to identify significant factors …
Published in International Journal of Cheminformatics · Vol. 4, Issue 1, 2026 · pp. 41–56 Read article
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Machine Learning Based House Price Forecasting
Abstract: This research endeavours to craft a predictive model leveraging machine learning to estimate the market value of houses in Delhi. By integrating Python and its powerful libraries, pandas for data processing, Plot for interactive visualizations, scikit-learn for implementing machine learning algorithms, XGBoost for boosting the model's prediction accuracy, and to evaluate the model's performance cross-validation techniques are used. An interactive user interface is created using a Flask web application to …
Published in Current Trends in Information Technology · Vol. 14, Issue 1, 2024 · pp. 5–11 Read article
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Enzyme Stability Prediction using BERT and CNN-A Deep Learning Approach for Enhanced Biocatalysis
Abstract: An important factor in determining the efficacy of industrial enzymes used in various biotechnological applications is their stability. The goal of this study is to develop a predictive model for industrial enzyme stability, which is essential to the efficiency of these enzymes in biotechnological applications. The research takes a comprehensive strategy to comprehend the parameters affecting enzyme stability by combining statistical analysis, deep learning algorithms (BERT and CNN), and molecular …
Published in Research and Reviews : A Journal of Life Sciences · Vol. 14, Issue 2, 2024 · pp. 19–35 Read article
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Exploring Antimalarial Activity of Chalcone Derivatives through QSAR
Abstract: Background: The core structure of chalcones contains a reactive α,β-unsaturated system within the aromatic rings, which plays a key role in mediating various biological effects. These effects include enzyme inhibition, anticancer activity, anti-inflammatory properties, as well as antibacterial, antifungal, antimalarial, antiprotozoal, and anti-filarial actions.Modifying the structure by introducing substituent groups to the aromatic ring can enhance potency, reduce toxicity, and expand their range of pharmacological actions. Methods: A total of …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 1–6 Read article
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Eye Disease Classification Using K-means Clustering Algorithm and Ensemble Classification Approach
Abstract: In this study, we present a comprehensive approach for the classification of eye diseases, specifically targeting normal, cataract, glaucoma, and diabetic retinopathy conditions. This research uses a dataset from Kaggle, which provides a wide and varied collection of retinal images to ensure good representation. The methodology encompasses advanced image processing and machine learning techniques to ensure accurate diagnosis and prediction. The preprocessing phase involves a series of image enhancement techniques …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 2, 2025 · pp. 15–27 Read article
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Disease Prediction Using Ensemble Learning Models: A Comprehensive Approach
Abstract: In recent years, ensemble learning techniques have become pivotal in advancing predictive analytics within healthcare, particularly for early disease detection. The inherent variability and complexity of medical data, often characterized by high dimensionality, class imbalance, and noise, make it challenging for standalone classifiers to maintain high predictive accuracy. Ensemble learning, by integrating multiple models through bagging, boosting, or stacking, offers a more robust and generalizable approach. This study explores the …
Published in Journal of Communication Engineering & Systems · Vol. 15, Issue 3, 2025 · pp. 26–33 Read article
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Enhanced Multimodal Disease Prediction Using Hybrid Ensemble Learning and AutoML Techniques
Abstract: The integration of hybrid ensemble learning and automated machine learning (AutoML) is revolutionizing disease prediction by addressing the complexity, imbalance, and high dimensionality inherent in medical datasets. This paper proposes an advanced pipeline that combines diverse ensemble learning models with AutoML-based optimization to predict chronic diseases such as kidney diseas-e, Parkinson’s disease, and lung cancer. Publicly available datasets from UCI and PhysioNet repositories were preprocessed using outlier removal, normalization, and …
Published in Research and Reviews : Journal of Computational Biology · Vol. 15, Issue 1, 2026 Read article
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A Comprehensive Analysis of Machine Learning Models for Credit Card Fraud Detection
Abstract: This paper presents an indepth comparison of various machine learning models—Logistic Regression, Support Vector Classification (SVC), and Neural Networks (NN)—in the context of credit card fraud detection. The analysis spans multiple performance metrics, including accuracy, F1 score, precision, recall, and computational efficiency. Logistic Regression demonstrates competitive performance in terms of accuracy, but its poor precision renders it unsuitable for fraud detection tasks. Conversely, the Neural Network exhibits balanced precision and …
Published in Journal of Computer Technology & Applications · Vol. 16, Issue 3, 2025 Read article
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Early Alzheimer's Disease Detection Using Deep Ensemble Learning and MRI Image Analysis
Abstract: Early detection of Alzheimer's disease (AD) is crucial to slowing cognitive decline and enabling timely clinical interventions. Traditional diagnostic methods, including cognitive tests and single-model classifiers, have limited sensitivity during early stages of the disease. This paper presents a deep ensemble learning approach that integrates multiple convolutional neural networks (CNNs) for accurate Alzheimer's disease detection using structural Magnetic Resonance Imaging (MRI) data. The proposed framework utilizes ResNet50, VGG16, and DenseNet121 …
Published in Research and Reviews : Journal of Computational Biology · Vol. 15, Issue 1, 2026 Read article
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SpecForesight: A Predictive Analytics Pipeline for Laptop Price Forecasting
Abstract: This paper frames laptop pricing as a supervised predictive analytics problem, transforming product specifications into feature-rich signals to forecast price with calibrated regression models and operational guardrails against drift. A structured pipeline ingests tabular listings, performs data cleaning, and engineers domain-informed features (e.g., central processing unit (CPU) family and clocks, graphics processing unit (GPU) tiering, memory/storage density, display, and touch capabilities), followed by encoding and normalization to optimize model learnability. …
Published in Journal of Computer Technology & Applications · Vol. 17, Issue 1, 2026 · pp. 61–71 Read article
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Early Alzheimer’s Disease Prediction Using Vision Transformers and Attention-Guided MRI Analysis
Abstract: Alzheimer’s Disease (AD) continues to be a major global health concern, with early detection being crucial for effective intervention. While conventional machine learning and convolutional neural network (CNN) approaches have made notable progress in automated AD diagnosis using MRI data, they often struggle with capturing long-range dependencies and maintaining spatial contextual awareness. In this research, we propose a novel framework using Vision Transformers (ViTs) for early Alzheimer’s prediction from 3D …
Published in Research and Reviews: A Journal of Neuroscience · Vol. 16, Issue 1, 2026 · pp. 30–40 Read article
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Environmental Impact Assessment of Ocean Energy Converters Using Quantum Machine Learning
Abstract: The accelerating deployment of ocean energy converters (OECs) across tidal, wave, osmotic, and thermal domains necessitates rigorous, data-intensive environmental impact assessment (EIA) frameworks capable of modelling multi-stressor marine ecosystems in real time. Classical machine learning approaches, while operationally mature, encounter scalability bottlenecks and feature correlation limitations when applied to the high-dimensional, non-linear datasets characteristic of offshore monitoring networks. This paper presents a comprehensive quantum machine learning (QML) framework for the …
Published in Journal of Energy, Environment & Carbon Credits · Vol. 16, Issue 1, 2026 · pp. 22–31 Read article
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Statistical Modeling for Weld Quality Assessment using AI SAW Welding of Mild Steel
Abstract: The main issue to the industries that apply Submerged Arc Welding (SAW) is quality assurance since the structural integrity dictates safety and the performance of the industry. The existing system of checking manuals is not only time consuming but also has human errors that make it mandatory to deploy automated intelligent systems. This study carries out an extensive comparison of the leading approaches based on the use of Artificial Intelligence …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 892–907 Read article
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Machine Learning Assisted Design and Analysis of Polymer Composite Materials for Sustainable Renewable Energy Systems
Abstract: Accurate prediction and optimization of polymer composite properties is of paramount importance in the design of these lightweight, durable, and sustainable materials within renewable energy technologies. This work will provide a holistic machine learning-assisted framework that unites materials informatics with domain-specific features and state-of-the-art ML methodologies in the prediction of the mechanical properties of polymer composites, such as tensile strength. This includes embedding several ensemble models, including Random Forest and …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 391–402 Read article
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Machine-Learning-Assisted Development of Polymer-Biochar Composite Adsorbents for the Removal of Heavy Metals from Gomti River Water
Abstract: Rapid urbanization, industrial discharge, and agricultural runoff pose a significant threat to freshwater sustainability and public health. Within these ecosystems, polymer pollutants—such as microplastics, nanoplastics, synthetic fibres, and additive residues—have emerged as persistent vectors capable of adsorbing and transporting toxic heavy metals. Because these polymeric contaminants dynamically interact with conventional aquatic parameters to alter pollutant mobility and ecological risk profiles, there is an urgent need to transition from passive environmental …
Published in Journal of Polymer & Composites · Vol. 14, Issue 4, 2026 · pp. 72–95 Read article