All articles
36 articles
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Synthesis and Characterization of a Naphthalene-Derived Schiff Base for Fe³⁺ Sensing Applications
Abstract: The development of chemosensors for metal ions has gained significant attention due to their crucial role in industrial, environmental, and biological applications. Metal ion detection is essential for monitoring environmental pollution, industrial processes, and biological systems where metal homeostasis plays a vital role. In this study, we focus on the synthesis, characterization, and application of a novel naphthalene-based Schiff base ligand, derived from the condensation reaction between 1,8-diaminonaphthalene and 3-nitrobenzaldehyde. …
Published in International Journal of Cheminformatics · Vol. 2, Issue 2, 2024 · pp. 1–8 Read article
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Evaluation of Small Vessel Disease by Advanced Brain Imaging
Abstract: Studying and comprehending brain small vessel disease requires extensive imaging. Recent applications of cutting-edge brain imaging techniques have led to the discovery of several significant results. Diffusion-weighted MRI studies have demonstrated the diagnostic accuracy of using clinical features alone or in combination with CT scan results to identify small vessel disease as the underlying cause is suboptimal in patients with acute lacunar syndromes. Acute infarcts caused by small vessel disease …
Published in International Journal of Cheminformatics · Vol. 2, Issue 1, 2024 · pp. 15–19 Read article
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Advances in Polymeric In Situ Drug Delivery and Soft Biosensors: Innovations in Biochemical Sensing and Personalized Healthcare
Abstract: Advanced healthcare and personalized medicine are undergoing a transformation thanks to in situ medication delivery systems and biochemical sensor technology. Polymeric in situ drug delivery systems form gels upon administration, releasing medications in a controlled manner and providing benefits such as ease of administration and enhanced patient compliance. Similarly, advancements in soft electronics, including flexible and stretchable biosensors, enable continuous, in situ biochemical monitoring, conforming to complex biological environments like …
Published in International Journal of Cheminformatics · Vol. 2, Issue 1, 2024 · pp. 27–32 Read article
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Big Data in Chemistry: Problems and Answers
Abstract: The rapid growth of experimental and computational chemistry data, researchers now have access to vast datasets, presenting both significant opportunities and challenges. This paper explores the primary challenges associated with managing, processing, and utilizing big data in chemistry, including data heterogeneity, integration across various scales and systems, lack of standardized formats, and the need for advanced tools for data analysis. Additionally, the paper discusses the ethical concerns of data ownership, …
Published in International Journal of Cheminformatics · Vol. 2, Issue 1, 2024 · pp. 9–14 Read article
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Synergistic Integration of MEMS and Spintronics for Precision Data Analytics in Cheminformatics
Abstract: The transformational potential of merging spintronics and Micro-Electromechanical Systems (MEMS) technologies in cheminformatics is investigated in this work. Recent advancements in MEMS, particularly through the use of microbeam sensors and accelerometers, enhance the precision of data collection and processing, especially in biomedical applications such as drug delivery systems and chemical sensing. The synchronization of oscillations in MEMS devices leads to improved reliability and data accuracy, enabling the development of sophisticated …
Published in International Journal of Cheminformatics · Vol. 2, Issue 1, 2024 · pp. 20–26 Read article
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An Insilico Study of Isobutrin and Phosphorylase Kinase - A Ray of Hope for Psoriasis Patients – Clinical Hypothesis
Abstract: Psoriasis is a chronic, hyper-proliferative and inflammatory skin disease. Increased levels of the calmodulin-containing enzyme, namely, phosphorylase kinase (PhK), were observed in the human epidermis of the active psoriasis cases. Thus PhK is a potential biomarker for the diagnosis and progression of the skin disease, namely, psoriasis. The search for the potential molecules that could supress the over expression of PhK is underway and any break-through in this direction leads …
Published in International Journal of Cheminformatics · Vol. 2, Issue 1, 2024 · pp. 1–8 Read article
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Crop Yield Prediction Using Machine Learning Algorithm Based on Climate Variables
Abstract: India's economy is based primarily on agriculture, as over 50% of the country's population depends on it for their livelihood. The long-term viability of agriculture is seriously threatened by variations in the weather, climate, and other environmental factors. Because machine learning provides tools for decision assistance in agricultural yield prediction, including guidance on which crops to plant and when to plant them during the growing season, it is essential to …
Published in International Journal of Cheminformatics · Vol. 1, Issue 2, 2023 · pp. 49–52 Read article
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Using Machine Learning for Key phrase Extraction in Digital Libraries
Abstract: Machine learning has revolutionized various aspects of information retrieval, including key phrase extraction in digital libraries. Key phrase extraction is crucial for summarizing and categorizing vast amounts of textual data, enabling efficient search and retrieval processes. This study explores the application of machine learning techniques for automatic key phrase extraction in digital libraries. We review various supervised and unsupervised learning algorithms, including deep learning models, that are employed to identify …
Published in International Journal of Cheminformatics · Vol. 1, Issue 2, 2023 · pp. 8–13 Read article
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Automated Plant Disease Detection and Treatment Advisor Using Artificial Intelligence
Abstract: Automated plant disease detection and treatment advisors using artificial intelligence represent a significant advancement in modern agriculture. The identification of plant leaf diseases is essential to maintaining food security and agricultural output. Machine learning models, particularly deep learning algorithms like convolutional neural networks (CNNs), are trained on labeled datasets containing images of healthy and diseased plants. These models learn to classify images into different disease categories with high accuracy. Convolutional …
Published in International Journal of Cheminformatics · Vol. 1, Issue 2, 2023 · pp. 1–7 Read article
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Recent Applications and Influences of Artificial Intelligence (AI) In Chemical and Allied Sciences
Abstract: Artificial Intelligence (AI), the future tool of mankind that can revolutionise scientific research by making it faster, add more efficiently and accurately. During the pandemic situation, the scientific community was parted into two distinct groups, the computation-dependent community could easily continue their research work from their resident, while the works of the other group of researchers with lab-oriented research stopped entirely. In this connection use of AI becomes important and …
Published in International Journal of Cheminformatics · Vol. 1, Issue 2, 2023 · pp. 22–48 Read article
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Unlocking The Bioactivity Potential: Molecular Insights and Predictions of Salen, Salophen, Allicin, Curcumin, and Piperine
Abstract: In this work, the prediction of the biological activity of several significant molecules, including salen, salophen, allicin, curcumin, and piperine, are discussed. Using Molinspiration software, the molecular properties of these compounds were calculated. These molecules are highly significant due to their extensive potential in medical applications. Salen and salophen, for instance, play crucial roles in cancer chemotherapy and act as inhibitors of angiogenesis. Curcumin is renowned for its antioxidant properties, …
Published in International Journal of Cheminformatics · Vol. 1, Issue 2, 2023 · pp. 14–21 Read article
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Applications of AI: Does it Impact Emissions of Carbon?
Abstract: Several countries, including India, have vowed to achieve net-zero emissions by the middle of the century, in line with the Paris Agreement's goals. India, as one of the world's largest and fastest-growing economies and the third-largest carbon emitter, has set lofty goals in its climate change plan. By 2030, India intends to attain carbon peaking, which represents the top of its carbon emissions before beginning a slow drop. Furthermore, the …
Published in International Journal of Cheminformatics · Vol. 1, Issue 1, 2023 · pp. 27–31 Read article
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Insilico Structural Analysis and Homology Modeling of Crustin Protein from Fiddler Crab Species
Abstract: In terms of biomass and ecological or economic importance, the crustacea are the largest, most noticeable, and possibly, the most significance group of marine or aquatic arthropods. Because of their enormous commercial value and the necessity to prevent disease outbreaks in the shellfish aquaculture industry, decapods are the experimental animals of choice for practically all biological studies involving immune responses. Antimicrobial host-defense peptides (AMPs) are major components of metazoan immunity, …
Published in International Journal of Cheminformatics · Vol. 1, Issue 1, 2023 · pp. 1–7 Read article
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Harnessing the Growth Potential of Cloud Computing in Agriculture
Abstract: Unlocking the Green Revolution: A Comprehensive Exploration of Cloud Computing Integration in India's Agricultural Landscape. The integration of cloud computing technology in the agricultural sectors of India is poised to play a pivotal role in propelling the nation's holistic development. This paper delves into the dynamic realm of cloud computing, serving as a catalyst for innovation and efficiency in agriculture. By eliminating the need for maintaining expensive computing infrastructure, cloud …
Published in International Journal of Cheminformatics · Vol. 1, Issue 1, 2023 · pp. 32–37 Read article
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Classification and Detection of Brain Tumor using Convolutional Neural Network
Abstract: Tumors are masses created when brain cells multiply uncontrollably. A brain tumor is the medical term for this condition. Brain tumors are a serious and aggressive disease that can lead to a reduced life expectancy. Developing a treatment plan is essential to raising a patient's standard of living. Tumors in different regions of the body are evaluated using a variety of imaging techniques, with MRI pictures being utilized mostly for …
Published in International Journal of Cheminformatics · Vol. 1, Issue 1, 2023 · pp. 8–13 Read article
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Artificial Intelligence in Cerebellum Activation
Abstract: Neuroscience plays a significant function during the progression of artificial intelligence. It provided inspiration for the development of human-like AI. There are two ways that neuroscience encourages us to develop AI systems. Neural networks that replicate human cognition and those that match the structure of the brain are the two objectives. Neural networks, which draw inspiration from the architecture of the human brain, are the engine behind contemporary artificial intelligence …
Published in International Journal of Cheminformatics · Vol. 1, Issue 1, 2023 · pp. 14–26 Read article