What is it about?
Alkylphenols are the ubiquitous raw material in modern society and one of the dangerous toxicants. The electronic-structure informatic study was performed.
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Why is it important?
The size parameter would play an important role in determining the toxicity of the alkylphenols.
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This page is a summary of: An Electronic‐structure Informatics Study on the Toxicity of Alkylphenols to
Tetrahymena pyriformis, Molecular Informatics, January 2020, Wiley, DOI: 10.1002/minf.201900121.
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