Beware of ligand efficiency (LE): understanding LE data in modeling structure-activity and structure-economy relationships

BACKGROUND: On the one hand, ligand efficiency (LE) and the binding efficiency index (BEI), which are binding properties (B) averaged versus the heavy atom count (HAC: LE) or molecular weight (MW: BEI), have recently been declared a novel universal tool for drug design. On the other hand, questions...

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Detalles Bibliográficos
Autores principales: Polanski, Jaroslaw, Tkocz, Aleksandra, Kucia, Urszula
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2017
Materias:
Preliminary Communication
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5593805/
https://www.ncbi.nlm.nih.gov/pubmed/29086197
http://dx.doi.org/10.1186/s13321-017-0236-9

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5593805/
https://www.ncbi.nlm.nih.gov/pubmed/29086197
http://dx.doi.org/10.1186/s13321-017-0236-9

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