Original paper
QSAR and Classification Study on Prediction of Acute Oral Toxicity of N-Nitroso Compounds
Volume: 19, Issue: 10, Pages: 3015 - 3015
Published: Oct 3, 2018
Abstract
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. Quantum chemistry methods calculated descriptors and Dragon descriptors were combined to describe the molecular information of all compounds....
Paper Details
Title
QSAR and Classification Study on Prediction of Acute Oral Toxicity of N-Nitroso Compounds
Published Date
Oct 3, 2018
Volume
19
Issue
10
Pages
3015 - 3015
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Notes
History