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A scheme to evaluate structural alerts to predict toxicity – Assessing confidence by characterising uncertainties

Structure-activity relationships (SARs) in toxicology have enabled the formation of structural rules which, when coded as structural alerts, are essential tools in in silico toxicology. Whilst other in silico methods have approaches for their evaluation, there is no formal process to assess the conf...

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Detalles Bibliográficos
Autores principales: Cronin, Mark T.D., Bauer, Franklin J., Bonnell, Mark, Campos, Bruno, Ebbrell, David J., Firman, James W., Gutsell, Steve, Hodges, Geoff, Patlewicz, Grace, Sapounidou, Maria, Spînu, Nicoleta, Thomas, Paul C., Worth, Andrew P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9585125/
https://www.ncbi.nlm.nih.gov/pubmed/36041585
http://dx.doi.org/10.1016/j.yrtph.2022.105249