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Objective, Quantitative, Data-Driven Assessment of Chemical Probes.

ABSTRACT: 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.

SUBMITTER: Antolin AA

PROVIDER: S-EPMC5814752 | biostudies-literature | 2018 Feb

REPOSITORIES: biostudies-literature

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Objective, Quantitative, Data-Driven Assessment of Chemical Probes.

Antolin Albert A AA Tym Joseph E JE Komianou Angeliki A Collins Ian I Workman Paul P Al-Lazikani Bissan B

Cell chemical biology 20171214 2

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 chem ...[more]

PMID: 29249694

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