Chemometric QSAR modeling of acute oral toxicity of Polycyclic Aromatic Hydrocarbons (PAHs) to rat using simple 2D descriptors and interspecies toxicity modeling with mouse

Chemometric QSAR modeling of acute oral toxicity of Polycyclic Aromatic Hydrocarbons (PAHs) to rat using simple 2D descriptors and interspecies toxicity modeling with mouse

The information of the acute oral toxicity for most polycyclic aromatic hydrocarbons (PAHs) in mammals are lacking due to limited experimental resources, leading to a need to develop reliable in silico methods to evaluate the toxicity endpoint. In this study, we developed the quantitative structure-...

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Bibliographic Details
Main Authors: Guohui Sun, Yifan Zhang, Luyu Pei, Yuqing Lou, Yao Mu, Jiayi Yun, Feifan Li, Yachen Wang, Zhaoqi Hao, Sha Xi, Chen Li, Chuhan Chen, Lijiao Zhao, Na Zhang, Rugang Zhong, Yongzhen Peng
Format: Article
Language:English
Published: Elsevier 2021-10-01
Series:Ecotoxicology and Environmental Safety
Subjects:
PAHs
Acute oral toxicity
QSAR
Interspecies toxicity model
Toxicity prediction
Online Access:http://www.sciencedirect.com/science/article/pii/S0147651321006370

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