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10 articles for “Conformal Prediction”
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Industrial Prognostics via Ensemble Machine Learning: An Uncertainty Aware Framework for RUL Estimation on NASA FD004 Telemetry
Abstract: Estimating the Remaining Useful Life (RUL) of industrial machinery in real-time is now vital for both operational safety and smart resource management. In the aviation industry, turbofan engines deal with constantly shifting flight conditions, making traditional, scheduled maintenance both expensive and prone to error. This paper addresses the flaws in common “point-prediction” AI models, which offer a single failure date without any margin for error, by introducing a new, uncertainty-aware …
Published in Journal of Aerospace Engineering & Technology · Vol. 16, Issue 2, 2026 Read article
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Exploring the Potential of Allium sativum Phytocompounds as B-Cell Leukemia 2 Inhibitors in Acute Lymphoblastic Leukemia: Molecular Docking Study
Abstract: Objective: Acute lymphoblastic leukemia (ALL) is a lymphoid progenitor cell malignancy that could be treated with plant-based drugs, thus alleviating the off-target effects caused by conventional chemotherapy. Since ancient days, Allium sativum has been an integral part of traditional medicine and an excellent antimicrobial, antioxidant, and antiproliferative agent. Hence, this study aims to assess the anti-leukemic potential of A. sativum phytoconstituents as the B-cell leukemia 2 protein (Bcl-2) natural inhibitor …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 2, 2024 · pp. 53–80 Read article
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Computational Simulations in Drug Discovery: Modeling Protein Folding and Drug Binding
Abstract: Computational simulations have become essential tools in drug discovery, offering unprecedented insights into molecular behavior at the atomic level. These simulations, particularly in the domains of protein folding and drug binding, allow for the exploration of complex biological systems that are often difficult to study experimentally. Protein folding, a critical aspect of drug discovery, involves the transition of a polypeptide chain from an unfolded to a biologically active structure. Understanding …
Published in Research and Reviews : Journal of Computational Biology · Vol. 14, Issue 1, 2025 · pp. 23–29 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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Computational Modeling of Polymer Semiconductors for Electronic Applications
Abstract: Polymer semiconductors have become important materials in modern electronic applications because they combine semiconducting behavior with mechanical flexibility, low-cost processing, and tunable molecular structure. Their growing use in organic field-effect transistors, organic photovoltaics, organic light-emitting diodes, and flexible sensing devices has increased the need for accurate computational approaches that can predict material properties and device performance before experimental fabrication. This paper reviews the major computational modeling techniques used for polymer …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 132–146 Read article
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Advanced Computational Models for Predicting Molecular Interactions
Abstract: Understanding molecular interactions is essential for a number of disciplines, including biochemistry, materials science, and medication development. Traditional experimental methods, while accurate, are often time-consuming and expensive. Advanced computational models have emerged as powerful tools to predict molecular interactions efficiently. In order to predict the behavior and interactions of molecules at the atomic and subatomic levels, this paper reviews the most recent developments in computational techniques, such as machine learning …
Published in International Journal of Advance in Molecular Engineering · Vol. 2, Issue 1, 2024 · pp. 8–13 Read article
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In Silico Analysis and Docking Study of the Active Phytocompounds of Bacopa monnieri Against Alzheimer Disease
Abstract: Objective: Alzheimer’s is a neurodegenerative disease and is the cause of 60–70% of cases of dementia. It infected a million people worldwide. An effort was undertaken to explore the potential of natural compounds found in Bacopa monnieri, a plant renowned for its extensive medicinal properties in Indian Ayurveda, to combat the disease. This was achieved through molecular docking studies, evaluation of drug-likeness, and comprehensive ADME (absorption, distribution, metabolism, and excretion) …
Published in Research and Reviews : Journal of Computational Biology · Vol. 13, Issue 2, 2024 · pp. 1–13 Read article
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Optimization of Process Parameter in 3D Printing to Minimize Wear Loss and increase Tensile Strength
Abstract: Additive Manufacturing (AM) and especially Fused Deposition Modeling (FDM) has emerged as a very versatile process of manufacturing polymer components with complex and highly-integrated geometries. Polylactic Acid (PLA) is a favorite of the many thermoplastic FDM materials because of its biodegradability, easy processing and predictable mechanical properties. The study aimed at maximizing critical parameters in FDM process in order to reduce wear loss and also increase tensile strength of PLA …
Published in Journal of Polymer & Composites · Vol. 14, Issue 3, 2026 · pp. 849–858 Read article
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String Theory: Simplified Insights into Reality
Abstract: "String Theory: Simplified Insights into Reality" explores the fascinating realm of theoretical physics, delving into the profound principles of string theory and its implications for our understanding of the fundamental nature of the universe. The paper begins with an overview of the historical context, tracing the evolution of string theory from its inception as a theoretical framework to its current status as a leading candidate for a unified theory of …
Published in Research & Reviews : Journal of Space Science & Technology · Vol. 13, Issue 1, 2024 · pp. 1–11 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