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Predictive Modeling of Chemical Hazard by Integrating Numerical Descriptors of Chemical Structures and Short-term Toxicity Assay Data

Quantitative structure-activity relationship (QSAR) models are widely used for in silico prediction of in vivo toxicity of drug candidates or environmental chemicals, adding value to candidate selection in drug development or in a search for less hazardous and more sustainable alternatives for chemi...

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Detalhes bibliográficos
Main Authors: Rusyn, Ivan, Sedykh, Alexander, Low, Yen, Guyton, Kathryn Z., Tropsha, Alexander
Formato: Artigo
Idioma:Inglês
Publicado em: Oxford University Press 2012
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC3327873/
https://ncbi.nlm.nih.gov/pubmed/22387746
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1093/toxsci/kfs095
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