International Journal of Cheminformatics
Chemistry 2 issues a year Hybrid open access
About the journal
International Journal of Cheminformatics is a peer-reviewed Online journal launched in 2023 that aims to serve as a platform for the propagation of innovative ideas and research in all areas of Cheminformatics. All manuscripts undergo a rigorous peer-review process. It is designed to create interest among researchers in this field, which deals with the use of computer and information techniques applied to a wide range of problems in the field of chemistry.
Journal metrics
Counted from this archive, not supplied by anyone.
- 36Articles published
- 6Published in 2026
- 100Authors
- 0Open access
Journal information
- Title
- International Journal of Cheminformatics
- Issues per year
- 2 issues
- Publisher
- STM Journals
- DOI
- 10.37591/IJCI
- Starting year
- 2023
- Subject
- Chemistry
- Publication format
- Hybrid open access
- Language
- English
- Type
- Peer-reviewed journal (refereed)
Indexed in
Editorial board
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Editor-in-Chief
Chemistry, St Berchmans College, India
Latest articles
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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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Molecular Dynamics and Therapeutic Architectures of Cannabinoid Receptors: A Comprehensive Review
Abstract: Expanding on these foundations, recent structural biology studies using cryo-electron microscopy have provided high-resolution insights into the conformational dynamics of CB₁ and CB₂ receptors. These findings have enabled a more precise understanding of ligand–receptor interactions, particularly how agonists, antagonists, and reverse agonists stabilize distinct receptor states. Such knowledge is critical for rational drug design, allowing researchers to selectively modulate downstream signaling pathways. For instance, CB₁ receptors primarily couple to Gi/o …
Published in International Journal of Cheminformatics · Vol. 4, Issue 1, 2026 · pp. 36–40 Read article
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The Renaissance and Resilience of CB1 Reverse Agonists: From Central Liabilities to Peripheral Promise
Abstract: Building upon these foundational insights, current research has increasingly focused on refining the pharmacological profile of CB1 reverse agonists to maximize therapeutic benefit while minimizing central adverse effects. The adverse neuropsychiatric outcomes associated with first-generation agents such as Rimonabant including anxiety, depression, and suicidal ideation highlighted the critical role of central CB1 receptors in mood regulation. Consequently, drug development strategies have shifted toward peripherally restricted CB1 reverse agonists that exhibit …
Published in International Journal of Cheminformatics · Vol. 4, Issue 1, 2026 · pp. 30–35 Read article
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Determination of Compatibility of Polymer Systems and Study of Chemical Properties of their Mixtures
Abstract: We have obtained mechanical strength of materials as a result not by synthesizing new polymers, but by using industrial polymers. We have developed a technology for obtaining new composite materials based on industrial multi-tonnage polymers of high-strength polyethylene (HSPE), polyvinyl chloride (PVC), polyurethane thermoplastic elastomer (DUTEP), butyl rubber (BR), chlorocarboxylate polyethylene (CCPE), ethylene propylene rubber (EPR). To obtain a composition from these polymers, their mixture compatibility was first determined using …
Published in International Journal of Cheminformatics · Vol. 4, Issue 1, 2026 · pp. 17–29 Read article
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Vitamin D Mitigates Inflammation and Downregulates Importin α3 in Non-Alcoholic Fatty Liver Disease (NAFLD)
Abstract: Background: Pro-inflammatory cytokines, such as TNF-α, IL-1β, IL-6, and IL-8, seem to play a crucial role in the progression of NAFLD as they activate the transcription factor NF-кB. The activated NF-кBp50/RelA subunits are translocated to the nucleus by Importin α3 and Importin α4. Numerous studies have indicated a negative association between NAFLD and vitamin D levels. Low vitamin D levels have been correlated with histological severity, necro-inflammation, and fibrosis in …
Published in International Journal of Cheminformatics · Vol. 4, Issue 1, 2026 · pp. 1–16 Read article
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Vitamin D Mitigates Inflammation and Downregulates Importin α3 in Non-Alcoholic Fatty Liver Disease (NAFLD)
Abstract: Non-alcoholic fatty liver disease (NAFLD) affects about one-third of the population in the United States and Western countries, reaching up to 90% among obese individuals and those undergoing bariatric surgery. Characterized by hepatic fat accumulation, NAFLD progresses from simple steatosis to non-alcoholic steatohepatitis (NASH), fibrosis, and, in rare cases, hepatocellular carcinoma. Linked intricately with metabolic syndrome, including diabetes and obesity, NAFLD development involves insulin resistance and hyperinsulinemia. Experimental evidence consistently …
Published in International Journal of Cheminformatics · Vol. 4, Issue 1, 2026 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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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
Archive on its own page →
Volume 4 (2026) 6 articles
- Issue 1 6 articles