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 journalArticle

    66 Citations (Scopus)

    Abstract

    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
    Volume5
    Issue number6
    DOIs
    Publication statusPublished - 12 Jun 2014

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  • Cite this

    Murray, C. W., Erlanson, D. A., Hopkins, A. L., Keserü, G. M., Leeson, P. D., Rees, D. C., Reynolds, C. H., & Richmond, N. J. (2014). Validity of ligand efficiency metrics. ACS Medicinal Chemistry Letters, 5(6), 616-618. https://doi.org/10.1021/ml500146d