Determination of "fitness-for-purpose" of quantitative structure-activity relationship (QSAR) models to predict (eco-)toxicological endpoints for regulatory use.

Belfield, Samuel J; Enoch, Steven J; Firman, James W; Madden, Judith C; Schultz, Terry W; Cronin, Mark T D

Belfield, Samuel J; Enoch, Steven J; Firman, James W; Madden, Judith C; Schultz, Terry W; Cronin, Mark T D.

Afiliação

Belfield SJ; School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Byrom Street, Liverpool, L3 3AF, UK.
Enoch SJ; School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Byrom Street, Liverpool, L3 3AF, UK.
Firman JW; School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Byrom Street, Liverpool, L3 3AF, UK.
Madden JC; School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Byrom Street, Liverpool, L3 3AF, UK.
Schultz TW; University of Tennessee, College of Veterinary Medicine, Knoxville, TN, 37996-4500, USA.
Cronin MTD; School of Pharmacy and Biomolecular Sciences, Liverpool John Moores University, Byrom Street, Liverpool, L3 3AF, UK. Electronic address: m.t.cronin@ljmu.ac.uk.

Regul Toxicol Pharmacol ; 123: 104956, 2021 Jul.

Article em En | MEDLINE | ID: mdl-33979632

Assuntos

Modelos Químicos; Relação Quantitativa Estrutura-Atividade; Toxicocinética; Viés; Simulação por Computador; Medição de Risco; Incerteza

Palavras-chave

In silico models; QSAR; Regulatory use; Toxicity prediction; Uncertainty

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Texto completo: 1 Base de dados: MEDLINE Assunto principal: Relação Quantitativa Estrutura-Atividade / Toxicocinética / Modelos Químicos Tipo de estudo: Etiology_studies / Prognostic_studies / Risk_factors_studies Idioma: En Ano de publicação: 2021 Tipo de documento: Article

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