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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...
| Autores principales: | , , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Frontiers Media S.A.
2018
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6233526/ https://www.ncbi.nlm.nih.gov/pubmed/30459617 http://dx.doi.org/10.3389/fphar.2018.01256 |