Predicting target profiles with confidence as a service using docking scores

BACKGROUND: Identifying and assessing ligand-target binding is a core component in early drug discovery as one or more unwanted interactions may be associated with safety issues. CONTRIBUTIONS: We present an open-source, extendable web service for predicting target profiles with confidence using mac...

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Detalles Bibliográficos
Publicado en:J Cheminform
Main Authors: Ahmed, Laeeq, Alogheli, Hiba, McShane, Staffan Arvidsson, Alvarsson, Jonathan, Berg, Arvid, Larsson, Anders, Schaal, Wesley, Laure, Erwin, Spjuth, Ola
Formato: Artigo
Idioma:Inglês
Publicado: Springer International Publishing 2020
Assuntos:
Methodology
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC7566026/
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-020-00464-1
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