QSTR Modeling to Find Relevant DFT Descriptors Related to the Toxicity of Carbamates

QSTR Modeling to Find Relevant DFT Descriptors Related to the Toxicity of Carbamates

Compounds containing carbamate moieties and their derivatives can generate serious public health threats and environmental problems due their high potential toxicity. In this study, a quantitative structure–toxicity relationship (QSTR) model has been developed by using one hundred seventy-eight carb...

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Bibliographic Details
Main Authors: Emma H. Acosta-Jiménez, Luis A. Zárate-Hernández, Rosa L. Camacho-Mendoza, Simplicio González-Montiel, José G. Alvarado-Rodríguez, Carlos Z. Gómez-Castro, Miriam Pescador-Rojas, Amilcar Meneses-Viveros, Julián Cruz-Borbolla
Format: Article
Language:English
Published: MDPI AG 2022-08-01
Series:Molecules
Subjects:
QSTR
toxicity
carbamates
DFT
acetylcholinesterase
Online Access:https://www.mdpi.com/1420-3049/27/17/5530

Internet

https://www.mdpi.com/1420-3049/27/17/5530

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