Objective, Quantitative, Data-Driven Assessment of Chemical Probes.
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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.
The Institute of Cancer Research (Grant ID: Unspecified)
Version of record
objective quantitative assessment
online public resource
Small Molecule Libraries
Computational Biology and Chemogenomics
Medicinal Chemistry 2
License start date
Cell Chem Biol, 2018, 25 (2), pp. 194 - 205.e5