Selectivity is a key requirement of high-quality chemical probes and lead medicines; however, methods to quantify and compare the selectivity of small molecules have not been standardized across the field. Herein, we discuss the origins and use of a comprehensive, single value term to quantify selectivity, the Gini coefficient. Case studies presented include compounds that target protein kinases, small molecules that bind RNA structures, and small molecule chimeras that bind to and degrade the target RNA. With an increasing number of transcriptome- and proteome-wide studies, we submit that reporting Gini coefficients as a quantitative descriptor of selectivity should be used broadly.

中文翻译：

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基尼系数作为定义化学探针选择性的单值指标。

选择性是高质量化学探针和铅药物的关键要求；然而，量化和比较小分子选择性的方法尚未在整个领域标准化。在这里，我们讨论了一个全面的单值术语的起源和使用来量化选择性，即基尼系数。案例研究包括靶向蛋白激酶的化合物、结合 RNA 结构的小分子以及结合并降解目标 RNA 的小分子嵌合体。随着转录组和蛋白质组范围研究数量的增加，我们认为应广泛使用报告基尼系数作为选择性的定量描述子。