ChemBioSim: Enhancing Conformal Prediction of In Vivo Toxicity by Use of Predicted Bioactivities

[Image: see text] Computational methods such as machine learning approaches have a strong track record of success in predicting the outcomes of in vitro assays. In contrast, their ability to predict in vivo endpoints is more limited due to the high number of parameters and processes that may influen...

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Detalles Bibliográficos
Autores principales: Garcia de Lomana, Marina, Morger, Andrea, Norinder, Ulf, Buesen, Roland, Landsiedel, Robert, Volkamer, Andrea, Kirchmair, Johannes, Mathea, Miriam
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2021
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8317154/
https://www.ncbi.nlm.nih.gov/pubmed/34153183
http://dx.doi.org/10.1021/acs.jcim.1c00451

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8317154/
https://www.ncbi.nlm.nih.gov/pubmed/34153183
http://dx.doi.org/10.1021/acs.jcim.1c00451

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