Murray Christopher W, Erlanson Daniel A, Hopkins Andrew L, Keserü György M, Leeson Paul D, Rees David C, Reynolds Charles H, Richmond Nicola J
Astex Pharmaceuticals , 436 Cambridge Science Park, Milton Road, Cambridge CB4 0QA, U.K.
Carmot Therapeutics, Inc. , 409 Illinois Street, San Francisco, California 94158, United States.
ACS Med Chem Lett. 2014 May 9;5(6):616-8. doi: 10.1021/ml500146d. eCollection 2014 Jun 12.
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.
最近的一篇观点文章（《用低效指标提高成功的可信度。美国化学会药物化学通讯》，2014年，第5卷，第2 - 5页）认为配体效率（LE）的标准定义在数学上是无效的。在这篇观点文章中，我们回应了这一批评，并明确表明LE的定义在数学上是有效的。在药物化学家面临的多参数优化挑战中，LE以及其他指标如亲脂性配体效率（LLE）可能会有所帮助。
