title: Validity of ligand efficiency metrics.
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.
authors.affiliation: Astex Pharmaceuticals , 436 Cambridge Science Park, Milton Road, Cambridge CB4 0QA, U.K.
authors.forename: Christopher W
authors.initials: CW
authors.lastname: Murray
authors.affiliation: Carmot Therapeutics, Inc. , 409 Illinois Street, San Francisco, California 94158, United States.
authors.forename: Daniel A
authors.initials: DA
authors.lastname: Erlanson
authors.affiliation: Division of Biological Chemistry and Drug Discovery, College of Life Sciences, University of Dundee , Dundee DD1 5EH, U.K.
authors.forename: Andrew L
authors.initials: AL
authors.lastname: Hopkins
authors.affiliation: Research Centre for Natural Sciences, Hungarian Academy of Sciences , 1117 Budapest, Magyar Tudósok körútja 2., 1525 Budapest, Hungary.
authors.forename: György M
authors.initials: GM
authors.lastname: Keserü
authors.affiliation: Medicines Research Centre, GlaxoSmithKline , Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, U.K.
authors.forename: Paul D
authors.initials: PD
authors.lastname: Leeson
authors.affiliation: Astex Pharmaceuticals , 436 Cambridge Science Park, Milton Road, Cambridge CB4 0QA, U.K.
authors.forename: David C
authors.initials: DC
authors.lastname: Rees
authors.affiliation: Gfree Bio , 3805 Old Easton Road, Doylestown, Pennsylvania 18902, United States.
authors.forename: Charles H
authors.initials: CH
authors.lastname: Reynolds
authors.affiliation: Medicines Research Centre, GlaxoSmithKline , Gunnels Wood Road, Stevenage, Hertfordshire SG1 2NY, U.K.
authors.forename: Nicola J
authors.initials: NJ
authors.lastname: Richmond