QSAR and Classification Study on Prediction of Acute Oral Toxicity of N-Nitroso Compounds

QSAR and Classification Study on Prediction of Acute Oral Toxicity of N-Nitroso Compounds

To better understand the mechanism of in vivo toxicity of N-nitroso compounds (NNCs), the toxicity data of 80 NNCs related to their rat acute oral toxicity data (50% lethal dose concentration, LD50) were used to establish quantitative structure-activity relationship (QSAR) and classification models....

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Bibliographic Details
Main Authors: Tengjiao Fan, Guohui Sun, Lijiao Zhao, Xin Cui, Rugang Zhong
Format: Article
Language:English
Published: MDPI AG 2018-10-01
Series:International Journal of Molecular Sciences
Subjects:
N-nitroso compounds
acute oral toxicity
QSAR
classification
toxicity mechanism
Online Access:http://www.mdpi.com/1422-0067/19/10/3015

Internet

http://www.mdpi.com/1422-0067/19/10/3015

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