Journal
JOURNAL OF CHEMICAL INFORMATION AND MODELING
Volume 56, Issue 7, Pages 1237-1242Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jcim.6b00109
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Funding
- National Science Foundation [ABI-0957099]
- National Institute of Health [U24AG051129]
- Direct For Biological Sciences
- Div Of Biological Infrastructure [1429826] Funding Source: National Science Foundation
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Despite a large and rapidly growing body of small molecule bioactivity screens available in the public domain, systematic leverage of the data to assess target druggability and compound selectivity has been confounded by a lack of suitable cross-target analysis software. We have developed bioassayR, a computational tool that enables simultaneous analysis of thousands of bioassay experiments performed over a diverse set of compounds and biological targets. Unique features include support for large-scale cross target analyses of both public and custom bioassays, generation of high throughput screening fingerprints (HTSFPs), and an optional preloaded database that provides access to a substantial portion of publicly available bioactivity data. bioassayR is implemented as an open-source R/Bioconductor package available from https://bioconductor.org/packages/bioassayR/.
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