High‐throughput screening data of compounds consistently tested against the same panel of cell lines is a rich source of information for interrogating cell‐selectivity of a compound. Nevertheless, there is a high risk of false positives for these rapid‐testing strategies. Then, a single cell‐inactive compound can be mistakenly labeled as highly cell‐selective if a false positive occurs in any of the cell assays. More interesting would be the case of a series of analogs, which are structurally related compounds, that have a trend to be active only against a small number of cells. To this end, it is herein proposed a proof‐of‐concept of a method for finding consistent cell‐selective analog series of chemical compounds through analysis of high‐throughput cell‐compound screening data systematically obtained. Furthermore, statistics for quantifying cell‐promiscuity and consistency of an analog series are presented.

中文翻译：

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作为化学空间中的星座灯的一致性细胞选择性模拟系列。

对同一组细胞系进行一致测试的化合物的高通量筛选数据是询问化合物细胞选择性的丰富信息来源。然而，这些快速测试策略有很高的误报风险。然后，如果在任何细胞测定中出现假阳性，则单个细胞无活性化合物可能被错误地标记为高度细胞选择性。更有趣的是一系列类似物的情况，它们是结构相关的化合物，具有仅对少数细胞有活性的趋势。为此，本文提出了一种通过分析系统获得的高通量细胞化合物筛选数据来寻找一致的细胞选择性类似物系列化合物的方法的概念验证。此外，