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194 articles for “Property Prediction”
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Overview of Ionic Polarization: A Model Based Novel Approach
Abstract: This study presents a comprehensive analysis of ionic polarization through a novel model-based approach that integrates theoretical, computational, and experimental methodologies. Ionic polarization, which significantly influences the dielectric properties of materials, is examined through the lens of the Clausius-Mossotti equation and the Debye relaxation model, providing a theoretical framework for understanding the relationship between ionic displacement and dielectric behavior. To explore ionic displacement and polarization at the atomic level, advanced …
Published in International Journal of Cheminformatics · Vol. 2, Issue 2, 2024 · pp. 18–25 Read article
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Advancements in Molecular Engineering: Innovations at the Nexus of Chemistry and Technology
Abstract: Molecular engineering, a frontier of chemistry, merges precision and innovation to design and assemble molecular structures with unprecedented control. This abstract explores recent advances, highlighting key breakthroughs and their transformative impacts. Starting with its roots in chemical synthesis and materials science, it traces the evolution towards rational design driven by computational tools and advanced characterization techniques, enabling tailored molecular architectures. A focal point is programmable molecules, where DNA nanotechnology principles …
Published in International Journal of Advance in Molecular Engineering · Vol. 1, Issue 2, 2023 · pp. 37–43 Read article
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The Art of Drug Design and Process Chemistry
Abstract: The creation of safe and efficient medications depends heavily on the art of drug design and process chemistry. This multidisciplinary discipline designs and optimizes drug candidates for therapeutic uses by fusing the concepts of biology, chemistry, and engineering. Researchers can develop compounds with pharmacological activity by using logical drug design techniques if they have a thorough understanding of the molecular targets implicated in disease pathways. By making it easier to …
Published in International Journal of Bioinformatics and Computational Biology · Vol. 3, Issue 1, 2025 · pp. 1–10 Read article
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Density Functional Theory (DFT): Understanding and Quantifying Molecular Structure of 2-D Materials
Abstract: Density Functional Theory (DFT) has emerged as a cornerstone in computational chemistry and materials science, offering a powerful framework for predicting electronic structures and properties of atoms, molecules, and solids. By focusing on electron density rather than wave functions, DFT simplifies the many-body problem through approximations like the local density approximation (LDA) and generalized-gradient approximations (GGAs). The Hohenberg-Kohn theorems establish the theoretical foundation, proving that ground-state properties are uniquely determined …
Published in Journal of Microelectronics and Solid State Devices · Vol. 12, Issue 2, 2025 · pp. 33–40 Read article
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Artificial Neural Network Based Prediction of Impact Loads and Thickness in CFRP and GFRP Composite Laminates
Abstract: Recent technological advancements, particularly the integration of neural networks, have facilitated a predictive approach to complex engineering problems, especially those involving composite materials with directional properties. The scarcity of literature on predicting impact damage using experimental and ultrasonic flaw detection data motivated this study. Experimental assessment of impact damage on carbon fiber/epoxy (CFRP) and glass fiber/epoxy (GFRP) composites was conducted using low-velocity drop weight impact testing. Damage assessment employed an …
Published in International Journal of Fracture Mechanics and Damage Science · Vol. 2, Issue 1, 2024 · pp. 34–45 Read article
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Deep Learning-Based Thermal Prediction Models for Solid-State Electronic Devices
Abstract: The rapid advancement of solid-state electronic devices in high-performance computing, communication systems, automotive electronics, and renewable energy applications has significantly increased concerns related to thermal management and device reliability. Excessive heat generation in semiconductor devices adversely affects operational efficiency, switching performance, lifespan, and overall system stability. Traditional thermal prediction methods often require complex numerical computations and extensive simulation time, making them less suitable for real-time monitoring and adaptive control applications. …
Published in International Journal of Solid State Innovations & Research · Vol. 4, Issue 1, 2026 Read article
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Graph Theoretic Analysis of Cyclodextrin Polymers
Abstract: Topological indicators in chemical graph theory are essential tools in cheminformatics, providing valuable insights into molecular structure and properties to make more accurate predictions about the behavior and efficacy of novel compounds in drug design. The macro molecules are correlated with certain derivatives. The derivatives are growing structures which depends on the cyclic structures. The Cyclodextrin is one of the cyclic structures which depends on the carbon atoms. The polymer …
Published in Journal of Polymer & Composites · Vol. 14, Issue 1, 2026 · pp. 997–1006 Read article
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Assessing Nanomaterial Toxicity and Environmental Behavior: Toward Sustainable and Safe Nanotechnology
Abstract: The rapid advancement of nanotechnology has introduced engineered nanomaterials into diverse sectors including medicine, agriculture, electronics, and consumer products. However, the unique physicochemical properties that make nanomaterials valuable also raise significant concerns about their potential toxicity to human health and ecological systems. This study presents a comprehensive survey-based analysis of 400 respondents from diverse professional backgrounds across seven countries to assess perceptions and understanding of nanomaterial toxicity mechanisms and environmental …
Published in Nano Trends – A Journal of Nano Technology & Its Applications · Vol. 28, Issue 1, 2025 · pp. 1–11 Read article
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Approach to Examine the Effect of Atomic Number on Single – Electron System of Group III Elements
Abstract: This study investigates the ionization energy, kinetic energy, and mass relationships among Group III elements (Boron, Aluminum, Gallium, Indium, and Thallium) to provide a comprehensive understanding of their atomic and physical properties. A detailed analysis of ionization energy trends reveals that Boron exhibits the highest ionization energy, while Thallium has the lowest, consistent with periodic trends influenced by increasing atomic radius and electron shielding. Gallium deviates slightly from this trend …
Published in International Journal of Crystalline Materials · Vol. 1, Issue 2, 2024 · pp. 01–09 Read article
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An Innovative Approach to Find the Optimum Lubricant for Diverse Applications Based on Scikit-Learn Library Using Python
Abstract: This paper presents an innovative approach for finding the optimum lubricant using the Scikit-learn library in Python. The proposed approach uses a linear regression model to analyze a dataset of lubricant properties and performance, specifically the viscosity, wear, and friction. The model is trained on the dataset to predict the wear and friction for a given viscosity, which can be used to identify the optimum lubricant. By analyzing a dataset …
Published in Journal of Polymer & Composites · Vol. 13, Issue 3, 2025 · pp. 25–35 Read article
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AI-Enabled Linear Regression Model for Spectroscopic Milk Adulteration Analysis
Abstract: Milk adulteration poses a serious threat to public health and quality assurance in the dairy industry. This requiring rapid, reliable, and non-destructive detection techniques. This study presents a linear regression-based analytical model for identifying and quantifying milk adulteration using spectroscopic data. Spectral measurements of milk samples, including both pure and adulterated variants were acquired using spectroscopic techniques at relevant wavelengths.Blending of other components in pure milk , is specifically called …
Published in Research & Reviews : Journal of Food Science & Technology · Vol. 15, Issue 1, 2026 · pp. 28–42 Read article
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InSilico Analysis and Homology Modeling of Tetrahydroprotoberberine Oxide involved in the Berberine Biosynthesis
Abstract: Objective: Berberine, a bioactive compound found in various plant species, exhibits diverse pharmacological properties with potential applications in pharmaceutical research. The biosynthesis of berberine involves several enzymatic steps, with (S)-tetrahydroprotoberberine oxidase playing a pivotal role. This study aimed to elucidate the structural and functional characteristics of (S)-tetrahydroprotoberberine oxidase to better understand its role in berberine biosynthesis and its potential biotechnological applications. Methods: Using bioinformatics tools and computational methods, the physicochemical …
Published in Emerging Trends in Metabolites · Vol. 1, Issue 1, 2024 · pp. 7–26 Read article
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House Price Estimation Using Linear Regression: A Machine Learning Perspective
Abstract: House price prediction plays a crucial role in the real estate industry, helping buyers, sellers, and investors make well-informed decisions. Accurate estimation of property values enables stakeholders to assess market trends, plan investments, and minimize financial risks. This study focuses on the application of linear regression, a fundamental and widely used machine learning algorithm, to predict house prices based on multiple influencing factors. These factors include location, property size, number …
Published in Research & Reviews : Journal of Statistics · Vol. 15, Issue 1, 2026 Read article
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Vibration Analysis of Woven Hybrid Carbon-Kevlar Composite Laminates
Abstract: Composite materials have revolutionized the field of engineering and design, providing the ability to combine two or more materials with different properties to create new materials with enhanced characteristics. The intricate process of weaving together carbon fiber and Kevlar fiber to create a 3D composite fabric is not only fascinating but also results in a beautiful, intricate pattern. Hand weaving is an art that requires precision and skill, and when …
Published in Journal of Polymer & Composites Read article
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Fatigue Analysis of the FSAE Vehicle's Front Wheel Hub
Abstract: This study illustrates the design and analysis of the FSAE vehicle's front wheel hub. Because wheel hubs are subjected to cyclic loads on a continuous basis, there is a risk of fatigue, which leads to material failure. The start and spread of cracks in a material as a result of cyclic loading is known as fatigue. The brake discs could not be easily removed since the disc is positioned between …
Published in Journal of Automobile Engineering and Applications Read article
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In Silico Analysis and Docking Study of the Active Phyto Compounds of Ginkgo Biloba Against Alzheimer's Amyloid-Beta Protein
Abstract: Objective: Alzheimer's disease, an age-related progressive neurological condition, arises due to the accumulation of amyloid-beta protein within the brain. In this study, an attempt was made to explore the potential of natural compounds derived from Ginkgo, known for their diverse medicinal properties, in the prevention of the disorder by employing molecular docking techniques, conducting drug-likeness prediction assessments, and performing ADME analysis. Methods: Amyloid beta protein was retrieved from the PDB …
Published in International Journal of Cell Biology and Cellular Functions · Vol. 1, Issue 2, 2023 Read article
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Tribological Behaviour of PTFE based Composite Materials with Different Filler Materials: A Combine Numerical and Experimental Approach
Abstract: This study investigates the tribological behaviour of Polytetrafluoroethylene (PTFE) composites reinforced with various fillers, utilizing the Archard wear model to analyse wear mechanisms and predict wear rates. PTFE is widely recognized for its excellent chemical resistance and low friction, but its inherent wear resistance is relatively poor. To enhance its tribological properties, fillers such as glass fibres, carbon fibres, bronze, and graphite were incorporated into the PTFE matrix. In the …
Published in Journal of Polymer & Composites · Vol. 13, Issue 4, 2025 · pp. 547–557 Read article
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Targeting Vasopressin 2 Receptor (V2R) in Renal Cystogenesis by Exploring the Nephroprotective Potential of “Terminalia arjuna”
Abstract: Objectives: Autosomal dominant polycystic kidney disease (ADPKD) is the most common inherited kidney disorder, leading to the formation of multiple cysts in the kidneys. It is a major cause of end-stage renal disease (ESRD), which often requires dialysis or a kidney transplant for survival. This research focuses on identifying potential bioactive compounds derived from natural sources that show promise for drug development targeting the V2R gene. Methods: The naturally occurred …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 2, 2024 · pp. 14–24 Read article
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Comparative Analysis of Processing-Property Relationships in Metal and Polymer Matrix Composites: A Unified Statistical Framework for Hardness Characterization
Abstract: Composite materials, encompassing both metal matrix composites (MMCs) and polymer matrix composites (PMCs), exhibit complex processing-property relationships that fundamentally govern their mechanical performance across diverse applications. This study presents a unified statistical framework for analyzing hardness characteristics in composite systems, using aluminum-tungsten carbide (Al-WC) metal matrix composites as a representative model system while establishing connections to polymer matrix composite behavior. The investigation employed comprehensive processing parameter optimization, microstructural characterization, and …
Published in Journal of Polymer & Composites · Vol. 14, Issue 2, 2026 · pp. 419–430 Read article
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House Price Prediction Using Linear Regression In Machine Learning
Abstract: In the modern world, real estate is among the most important investments, particularly in a city like Chennai, which is where many people aspire to work and settle down. Due to people's high purchasing power, this will cause property prices to rise daily. When purchasing a home, buyers will consider whether or not it will yield a healthy profit margin. Hence, before spending your hard-earned money on any property, it …
Published in Journal of Artificial Intelligence Research & Advances · Vol. 11, Issue 2, 2024 · pp. 92–100 Read article