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Exploration of electronic properties,radical scavenging activity and QSAR of oxadiazole derivatives by molecular docking and first-principles approaches |
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| Authors: | Ahmad Irfan Muhammad Imran Abdullah G. Al-Sehemi Asma Tufail Shah Mohamed Hussien Muhammad Waseem Mumtaz |
| Affiliation: | 1. Department of Chemistry, College of Science, King Khalid University, P.O. Box 9004, Abha 61413, Saudi Arabia;2. Interdisciplinary Research Centre in Biomedical Materials (IRCBM), COMSATS University Islamabad, Lahore Campus, Lahore 54600, Pakistan;3. Pesticide Formulation Department, Central Agricultural Pesticide Laboratory, Agricultural Research Center, Dokki, Giza 12618, Egypt;4. Department of Chemistry, University of Gujrat, Gujrat, Pakistan |
| Abstract: | |
| Keywords: | Azole derivatives Antioxidants Density functional theory Molecular docking Quantitative structure-activity relationship |
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