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Article: QSAR analysis of N-Alkyl imidazole analogues as antibacterial agents.(quantitative structure activity relationship)
- Article from:
- Indian Journal of Pharmaceutical Sciences
- Article date:
- May 1, 2006
- Author:
CopyrightCOPYRIGHT 2006 Medknow Publications Pvt. Ltd. This material is published under license from the publisher through the Gale Group, Farmington Hills, Michigan. All inquiries regarding rights should be directed to the Gale Group. (Hide copyright information)
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Byline: Nazneen. Khan, Love. Soni, A. Gupta, S. Wakode, R. Wagh, S. Kaskhedikar
A quantitative structure activity relationship study on a series of N-alkyl imidazole analogues was made using combination of various thermodynamic electronic and spatial descriptors. Several statistical expressions were developed using stepwise multiple liner regression analysis. The best quantitative structure activity relationship models were further validated by leave-one-out method of cross-validation. The study revealed that the electronic property, i.e., dipole moment contributed positively, and spatial descriptor (principal moment of inertia at Y axis) contributed negatively. ...