Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery

Structure–activity relationship modelling is frequently used in the early stage of drug discovery to assess the activity of a compound on one or several targets, and can also be used to assess the interaction of compounds with liability targets. QSAR models have been used for these and related appli...

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Detalles Bibliográficos
Autores principales: Bosc, Nicolas, Atkinson, Francis, Felix, Eloy, Gaulton, Anna, Hersey, Anne, Leach, Andrew R.
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/PMC6690068/
https://www.ncbi.nlm.nih.gov/pubmed/30631996
http://dx.doi.org/10.1186/s13321-018-0325-4

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6690068/
https://www.ncbi.nlm.nih.gov/pubmed/30631996
http://dx.doi.org/10.1186/s13321-018-0325-4

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