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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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| Veröffentlicht in: | J Chem Inf Model |
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| Hauptverfasser: | , , , , , , , |
| Format: | Artigo |
| Sprache: | Inglês |
| Veröffentlicht: |
American Chemical Society
2021
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| Online Zugang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8317154/ https://ncbi.nlm.nih.gov/pubmed/34153183 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.1c00451 |
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