bioassayR: Cross-Target Analysis of Small Molecule Bioactivity

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• 作者：Tyler William H. Backman ; Thomas Girke
• 刊名：Journal of Chemical Information and Modeling
• 出版年：2016
• 出版时间：July 25, 2016
• 年：2016
• 卷：56
• 期：7
• 页码：1237-1242
• 全文大小：315K
• 年卷期：0
• ISSN：1549-960X

文摘

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/.