3 years ago

Ligand efficiency metrics in drug discovery: the pros and cons from a practical perspective

Maria Maddalena Cavalluzzi, Giovanni Lentini, Orazio Nicolotti, Giuseppe Felice Mangiatordi

Introduction: Ligand efficiency metrics are almost universally accepted as a valuable indicator of compound quality and an aid to reduce attrition.

Areas covered: In this review, the authors describe ligand efficiency metrics giving a balanced overview on their merits and points of weakness in order to enable the readers to gain an informed opinion. Relevant theoretical breakthroughs and drug-like properties are also illustrated. Several recent exemplary case studies are discussed in order to illustrate the main fields of application of ligand efficiency metrics.

Expert opinion: As a medicinal chemist guide, ligand efficiency metrics perform in a context- and chemotype-dependent manner; thus, they should not be used as a magic box. Since the ‘big bang’ of efficiency metrics occurred more or less ten years ago and the average time to develop a new drug is over the same period, the next few years will give a clearer outlook on the increased rate of success, if any, gained by means of these new intriguing tools.

Publisher URL: http://www.tandfonline.com/doi/full/10.1080/17460441.2017.1365056

DOI: 10.1080/17460441.2017.1365056

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