Avoiding hERG-liability in drug design via synergetic combinations of different (Q)SAR methodologies and data sources: a case study in an industrial setting

In this paper, we explore the impact of combining different in silico prediction approaches and data sources on the predictive performance of the resulting system. We use inhibition of the hERG ion channel target as the endpoint for this study as it constitutes a key safety concern in drug developme...

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Detalles Bibliográficos
Autores principales: Hanser, Thierry, Steinmetz, Fabian P., Plante, Jeffrey, Rippmann, Friedrich, Krier, Mireille
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2019
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6689868/
https://www.ncbi.nlm.nih.gov/pubmed/30712151
http://dx.doi.org/10.1186/s13321-019-0334-y

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6689868/
https://www.ncbi.nlm.nih.gov/pubmed/30712151
http://dx.doi.org/10.1186/s13321-019-0334-y

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