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C-SPADE

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Suggested by: Gary Fromert

Description

C-SPADE (Compound Specific bioActivity DEndrogram) web-application serves as an interactive and innovative visualization tool for drug screening data. It retrieves compounds structural information and clusters them based on their structural similarities, which is later visualized as a dendrogram of compounds augmented with their bioactivity values and other compound annotations. Additionally, it allows a real-time comparison of investigational compounds against a screening panel for drug development or repurposing applications. C-SPADE deals with various types of drug screening assays (biochemical, cell-based, cell-free). Tailored to be accessible to researchers with little to no chemoinformatics skills, it requires only the raw drug screening data as input and automatically calculates the structural information required for compound clustering, thereby significantly reducing the manual time required for such analysis.

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