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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...
| Autores principales: | , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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Springer International Publishing
2017
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| 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 |