Validity of ligand efficiency metrics

Christopher W. Murray (Lead / Corresponding author), Daniel A. Erlanson, Andrew L. Hopkins, György M. Keserü, Paul D. Leeson, David C. Rees, Charles H. Reynolds, Nicola J. Richmond

    Research output: Contribution to journalArticlepeer-review

    93 Citations (Scopus)


    A recent viewpoint article (Improving the plausibility of success with inefficient metrics. ACS Med. Chem. Lett. 2014, 5, 2-5) argued that the standard definition of ligand efficiency (LE) is mathematically invalid. In this viewpoint, we address this criticism and show categorically that the definition of LE is mathematically valid. LE and other metrics such as lipophilic ligand efficiency (LLE) can be useful during the multiparameter optimization challenge faced by medicinal chemists.
    Original languageEnglish
    Pages (from-to)616-618
    Number of pages3
    JournalACS Medicinal Chemistry Letters
    Issue number6
    Publication statusPublished - 12 Jun 2014


    Dive into the research topics of 'Validity of ligand efficiency metrics'. Together they form a unique fingerprint.

    Cite this