Objective, Quantitative, Data-Driven Assessment of Chemical Probes.
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Authors
Antolin, AA
Tym, JE
Komianou, A
Collins, I
Workman, P
Al-Lazikani, B
Tym, JE
Komianou, A
Collins, I
Workman, P
Al-Lazikani, B
Document Type
Journal Article
Date
2018-02-15
Date Accepted
2017-11-14
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.
Citation
Cell chemical biology, 2018, 25 (2), pp. 194 - 205.e5
Source Title
Publisher
CELL PRESS
ISSN
2451-9456
eISSN
2451-9448
Collections
Research Team
Computational Biology and Chemogenomics
Medicinal Chemistry 2
Medicinal Chemistry 2