A cross-industry collaboration to assess if acute oral toxicity (Q)SAR models are fit-for-purpose for GHS classification and labelling

This study assesses whether currently available acute oral toxicity (AOT) in silico models, provided by the widely employed Leadscope software, are fit-for-purpose for categorization and labelling of chemicals. As part of this study, a large data set of proprietary and marketed compounds from multip...

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Veröffentlicht in:	Regulatory toxicology and pharmacology 2021-03, Vol.120, p.104843-104843, Article 104843
Hauptverfasser:	Bercu, Joel, Masuda‐Herrera, Melisa J., Trejo-Martin, Alejandra, Hasselgren, Catrin, Lord, Jean, Graham, Jessica, Schmitz, Matthew, Milchak, Lawrence, Owens, Colin, Lal, Surya Hari, Robinson, Richard Marchese, Whalley, Sarah, Bellion, Phillip, Vuorinen, Anna, Gromek, Kamila, Hawkins, William A., van de Gevel, Iris, Vriens, Kathleen, Kemper, Raymond, Naven, Russell, Ferrer, Pierre, Myatt, Glenn J.
Format:	Artikel
Sprache:	eng
Schlagworte:	Acute oral Toxicity (Q)SAR Administration, Oral Animal Testing Alternatives - classification Animal Testing Alternatives - methods Animal Testing Alternatives - standards Animals Chemical Industry - classification Chemical Industry - standards Classification and labelling CLP/GHS GHS Computer Simulation - trends Cytotoxins - administration & dosage Cytotoxins - chemistry Cytotoxins - toxicity Databases, Factual Drug Industry - classification Drug Industry - standards Expert rule-based Statistical-based model Humans In silico 3Rs Expert review Intersectoral Collaboration Product Labeling - classification Product Labeling - standards Quantitative Structure-Activity Relationship
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