Predicting the Skin Sensitization Potential of Small Molecules with Machine Learning Models Trained on Biologically Meaningful Descriptors

In recent years, a number of machine learning models for the prediction of the skin sensitization potential of small organic molecules have been reported and become available. These models generally perform well within their applicability domains but, as a result of the use of molecular fingerprints...

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Detalles Bibliográficos
Autores principales: Wilm, Anke, Garcia de Lomana, Marina, Stork, Conrad, Mathai, Neann, Hirte, Steffen, Norinder, Ulf, Kühnl, Jochen, Kirchmair, Johannes
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8402010/
https://www.ncbi.nlm.nih.gov/pubmed/34451887
http://dx.doi.org/10.3390/ph14080790

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8402010/
https://www.ncbi.nlm.nih.gov/pubmed/34451887
http://dx.doi.org/10.3390/ph14080790

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