Exploring the structural basis of organic compounds by predicting experimental IR peaks: a machine learning analysis

Journal of Molecular Graphics and Modelling 2026

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Authors: Sadaf Noreen, Mamduh J. Aljaafreh, Ashour M. Ahmed
DOI: 10.1016/j.jmgm.2026.109304
Cited by: 1
References: 42

Fields of Study & Subjects

Machine Learning in Materials Science Computational Drug Discovery Methods Molecular spectroscopy and chirality

Publication details

Journal / source
Journal of Molecular Graphics and Modelling
Publisher
Elsevier BV
Volume
144
Pages
109304–109304
Publication date
20 January 2026
Language
EN