Integration of Fuzzy Matter-Element Method and 3D-QSAR Model for Generation of Environmentally Friendly Quinolone Derivatives

Integration of Fuzzy Matter-Element Method and 3D-QSAR Model for Generation of Environmentally Friendly Quinolone Derivatives

The environmental pollution of quinolone antibiotics (QAs) has caused rising public concern due to their widespread usage. In this study, Gaussian 09 software was used to obtain the infrared spectral intensity (IRI) and ultraviolet spectral intensity (UVI) of 24 QAs based on the Density Functional T...

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Bibliographic Details
Main Authors: Xixi Li, Baiyu Zhang, Wendy Huang, Cuirin Cantwell, Bing Chen
Format: Article
Language:English
Published: MDPI AG 2020-05-01
Series:International Journal of Environmental Research and Public Health
Subjects:
quinolone antibiotics
infrared characteristic vibration spectrum
ultraviolet absorption spectrum
fuzzy matter-element method
three-dimensional quantitative structure–activity relationship
molecular modification
Online Access:https://www.mdpi.com/1660-4601/17/9/3239

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https://www.mdpi.com/1660-4601/17/9/3239

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