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Hierarchical Quantitative Structure–Activity Relationship Modeling Approach for Integrating Binary, Multiclass, and Regression Models of Acute Oral Systemic Toxicity

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Reliable in silico approaches to replace animal testing for the evaluation of potential acute toxic effects are highly demanded by regulatory agencies. In particular, quantitative structure–activit... Click to show full abstract

Reliable in silico approaches to replace animal testing for the evaluation of potential acute toxic effects are highly demanded by regulatory agencies. In particular, quantitative structure–activit...

Keywords: hierarchical quantitative; quantitative structure; relationship modeling; structure; structure activity; activity relationship

Journal Title: Chemical Research in Toxicology
Year Published: 2020

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