Mathematical Modeling of H1-Antihistamines: A QSPR Approach Using Topological Indices
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DOI: 10.1021/acsomega.5c07577
Abstract: Allergic diseases represent a significant global health burden, requiring effective and safe therapeutic agents for long-term management. H1-antihistamines are among the most widely prescribed and over-the-counter drugs for treating allergic conditions, yet their variable physicochemical… read more here.
Keywords: qspr approach; modeling antihistamines; mathematical modeling; topological indices ... See more keywords
AI-powered prediction of critical properties and boiling points: a hybrid ensemble learning and QSPR approach
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DOI: 10.1186/s13321-025-01062-9
Abstract: In this paper, we propose a robust deep-learning model based on a Quantitative Structure − Property Relationship (QSPR) approach for estimating the critical temperature (TC), critical pressure (PC), acentric factor (ACEN) and normal boiling point (NBP) of… read more here.
Keywords: qspr approach; networks trained; prediction; neural networks ... See more keywords