scholarly journals Quantitative Structure-Activity Relationship (QSAR) Modeling to Predict the Transfer of Environmental Chemicals Across the Placenta

2021 ◽  
pp. 100211
Author(s):  
Laura Lévêque ◽  
Nadia Tahiri ◽  
Michael-Rock Goldsmith ◽  
Marc-André Verner
Keyword(s):  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Environmental Chemicals ◽  
Activity Relationship ◽  
Quantitative Structure ◽  
Qsar Modeling ◽  
Structure Activity

scholarly journals Quantitative Structure-Activity Relationship (QSAR) Studies on the Toxic Effects of Nitroaromatic Compounds (NACs): A Systematic Review

2021 ◽  
Vol 22 (16) ◽  
pp. 8557
Author(s):  
Tao Huang ◽  
Guohui Sun ◽  
Lijiao Zhao ◽  
Na Zhang ◽  
Rugang Zhong ◽  
...  
Keyword(s):  
Quantitative Structure Activity Relationship ◽  
Structure Activity Relationship ◽  
Nitroaromatic Compounds ◽  
Toxic Effects ◽  
Activity Relationship ◽  
Quantitative Structure ◽  
Qsar Modeling ◽  
Toxic Response ◽  
Qsar Studies ◽  
Structure Activity

Nitroaromatic compounds (NACs) are ubiquitous in the environment due to their extensive industrial applications. The recalcitrance of NACs causes their arduous degradation, subsequently bringing about potential threats to human health and environmental safety. The problem of how to effectively predict the toxicity of NACs has drawn public concern over time. Quantitative structure–activity relationship (QSAR) is introduced as a cost-effective tool to quantitatively predict the toxicity of toxicants. Both OECD (Organization for Economic Co-operation and Development) and REACH (Registration, Evaluation and Authorization of Chemicals) legislation have promoted the use of QSAR as it can significantly reduce living animal testing. Although numerous QSAR studies have been conducted to evaluate the toxicity of NACs, systematic reviews related to the QSAR modeling of NACs toxicity are less reported. The purpose of this review is to provide a thorough summary of recent QSAR studies on the toxic effects of NACs according to the corresponding classes of toxic response endpoints.

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