Target-based evaluation of ‘drug-like’ properties and ligand efficiencies

Physicochemical descriptors commonly used to define ‘drug-likeness’, and ligand efficiency measures, are assessed for their ability to differentiate marketed drugs from compounds reported to bind to their efficacious target or targets. Using ChEMBL version 26, a dataset of 643 drugs acting on 271 ta...

Descripción completa

Detalles Bibliográficos
Autores principales: Leeson, Paul D., Bento, A. Patricia, Gaulton, Anna, Hersey, Anne, Manners, Emma J., Radoux, Chris J., Leach, Andrew R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2021
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7610969/
https://www.ncbi.nlm.nih.gov/pubmed/33983732
http://dx.doi.org/10.1021/acs.jmedchem.1c00416

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7610969/
https://www.ncbi.nlm.nih.gov/pubmed/33983732
http://dx.doi.org/10.1021/acs.jmedchem.1c00416

Ejemplares similares