International Journal of Cheminformatics
Volume 3, Issue 2 (2025)
Table of contents
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AI and ML in the Chemical Industry: A Review of Transformative Applications and Future Prospects
Abstract: The chemical industry, a key growth indicator of the global manufacturing ecosystem, is experiencing a digital transformation driven mainly by advancements in Artificial Intelligence (AI) and Machine Learning (ML) in this sector. These technologies are totally revolutionizing current and traditional methodologies by significantly improving process efficiency, reducing costs of manufacturing, accelerating R&D, and improving safety and sustainability standards. Proper utilization of Artificial intelligence (AI) and machine learning (ML) in chemical …
Published in International Journal of Cheminformatics · Vol. 3, Issue 2, 2025 · pp. 1–6 Read article
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A Literature Survey on Biological Activities of Thiazolidine Derivatives
Abstract: Hetercyclic compounds play a vital role in both chemical and life sciences. Among them ,thiazolidinone represent a significant class, characterized by a five- membered saturated ring containing both sulfur and nitrogen atoms. Structurally, thiazolidinones are derived from thiazole, with sulfur position at the 1-position, nitrogen at the 3-position , and a carbonyl group typically located at the 2-, 4-, or 5- position are possible, though structural and functional diversity is …
Published in International Journal of Cheminformatics · Vol. 3, Issue 2, 2025 · pp. 16–21 Read article
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Iron Oxide/Chitosan Nanocomposite: Properties and Design for AI Enhanced Immunotherapy and Regenerative Medicine
Abstract: Biopolymers are valuable complex materials. They attract attentions of many scientists, engineers, and medical professionals’ due to their distinguished properties for various applications. In this research, emphasis is given to Fe3O4/Chitosan nanocomposite which has desirable biophysical properties compared to pure Chitosan nanoparticles. Following the green synthesis procedures and characterization methods including thermo gravimetric analysis, AI assisted biomedical application of; Fe3O4/Chitosan nanocomposite is presented. The effect of alkali typically, KOH, in …
Published in International Journal of Cheminformatics · Vol. 3, Issue 2, 2025 · pp. 22–32 Read article
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CB₁ Reverse Agonists: A Cheminformatic and Patent Landscape Study
Abstract: The endocannabinoid system plays a crucial role in numerous physiological functions, making cannabinoid receptor 1 (CB1) an attractive target for therapeutic development. This review provides a systematic analysis of patent filings from 2019 to 2023 that focus on small-molecule CB1 reverse agonists. It begins with an overview of the endocannabinoid system, highlighting CB1’s involvement in energy balance, pain regulation, and neuroinflammatory processes The main section of the review examines fifteen …
Published in International Journal of Cheminformatics · Vol. 3, Issue 2, 2025 · pp. 33–36 Read article
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Automated Crop Disease Detection Using Convolutional Neural Networks
Abstract: Crop diseases contribute to major losses in agricultural production worldwide generating enormous economic costs. This study investigates the possibility of Convolutional Neural Networks (CNN) imaging techniques to auto-detect diseases associated with plants through image processing. A model was developed and trained on a publicly available plant disease dataset containing labeled images of several diseases. The CNN could classify various plant diseases with accuracy of 95%, precision of 92%, and recall …
Published in International Journal of Cheminformatics · Vol. 3, Issue 2, 2025 · pp. 7–15 Read article