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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Detalles Bibliográficos
Autores principales: Lampa, Samuel, Alvarsson, Jonathan, Arvidsson Mc Shane, Staffan, Berg, Arvid, Ahlberg, Ernst, Spjuth, Ola
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Frontiers Media S.A. 2018
Materias:
Pharmacology
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

Internet

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

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