Use of Quantitative Structure-activity Relationship to Model the Photoinduced Toxicity of Anthracene and Oxygenated Anthracenes

  title={Use of Quantitative Structure-activity Relationship to Model the Photoinduced Toxicity of Anthracene and Oxygenated Anthracenes},
  author={Ali Mallakin and Paul G. Mezey and Zbigniew Zimpel and Kenneth S. Berenhaut and Bruce M. Greenberg and D. George Dixon},
  journal={Qsar \& Combinatorial Science},
Polycyclic aromatic hydrocarbons (PAHs) are known to exhibit photoinduced toxicity to organisms, especially in the presence of ultraviolet irradiation. Oxidation is the most common photochemical reaction of anthracene (ANT) and ANT derivatives. Quinones, hydroxy-quinones, diols, and aldehydes are the resultant products. Different ANT photoproducts have different impact on biological organisms. The structure of these molecules contains information concerning their toxicity. From two main… 

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