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Predicting Off-Target Binding Profiles With Confidence Using Conformal Prediction
Ligand-based models can be used in drug discovery to obtain an early indication of potential off-target interactions that could be linked to adverse effects. Another application is to combine such models into a panel, allowing to compare and search for compounds with similar profiles. Most contempor...
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| Gepubliceerd in: | Front Pharmacol |
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| Hoofdauteurs: | , , , , , |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
Frontiers Media S.A.
2018
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| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC6233526/ https://ncbi.nlm.nih.gov/pubmed/30459617 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.3389/fphar.2018.01256 |
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