Chemical probes are essential tools for understanding biological systems and for target validation, yet selecting probes for biomedical research is rarely based on objective assessment of all potential compounds. Here, we describe the Probe Miner: Chemical Probes Objective Assessment resource, capitalizing on the plethora of public medicinal chemistry data to empower quantitative, objective, data-driven evaluation of chemical probes. We assess >1.8 million compounds for their suitability as chemical tools against 2,220 human targets and dissect the biases and limitations encountered. Probe Miner represents a valuable resource to aid the identification of potential chemical probes, particularly when used alongside expert curation.

中文翻译：

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化学探针的客观、定量、数据驱动评估

化学探针是了解生物系统和目标验证的重要工具，但选择用于生物医学研究的探针很少基于对所有潜在化合物的客观评估。在这里，我们描述了 Probe Miner: Chemical Probes Objective Assessment 资源，利用过多的公共药物化学数据来对化学探针进行定量、客观、数据驱动的评估。我们评估了超过 180 万种化合物作为化学工具对 2,220 个人类目标的适用性，并剖析了遇到的偏见和限制。Probe Miner 代表了一种宝贵的资源，可帮助识别潜在的化学探针，尤其是在与专家管理一起使用时。