Ligand efficiency: a useful metric for lead selection.

By A. Hopkins, Colin R. Groom, A. Alex. Drug Discovery Today, 2004

1,655 citations recorded by the source corpus.

How researchers see this paper

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A decade of fragment-based drug design: strategic advances and lessons learned (2007, background): “Of course, these scenarios should be carefully evaluated as the fragment leads could offer more benefit from the view of ligand efficienc”
Molecular obesity, potency and other addictions in drug discovery (2011, background): “6 shows a summary of some of these) such as Ligand Efficiency LE (D binding affinity/number of heavy atoms) [12] and the already mentioned Lipophilic Ligand Efficiency LLE [3] to help identify and control the effects of molecular obesity, which are implicated in the premature demise of far too many ”
Key Topics in Molecular Docking for Drug Design (2019, methodology): “Therefore, it is advantageous to use size-normalised parameters, such as Ligand Efficiency (LE) [144], Binding Efficiency Index (BEI) [145] or Fit Quality (FQ) [146], to prioritise the evaluated molecules.”
Network pharmacology: the next paradigm in drug discovery. (2008, background): “, in which a small library (500–2,000) of low-molecular-weight (100–250 Da) compounds can be successfully used to find ligand-efficien”
Ligand–receptor interaction platforms and their applications for drug discovery (2012, background): “On the other hand, hits identified from X-ray structure guided in silico docking can be virtually modified based on the known drug-like molecular descriptors or roles [35,171,172].”