A compound-centric approach to analyse drug screening data

Application: Interactive analysis and visualization of drug screening experiments.
Unmet need: Current drug screening analysis is target-centric.
IP Status: Commercial licenses to C-SPADE source code are available (free academic use).
Project phase: Ready for use.

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C-SPADE web-application is 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 visualized as a dendrogram of compounds augmented with their bioactivity values and other compound annotations. The tool offers unique representations of chemical similarity among compounds subjected for screening studies. C-SPADE also allows a real-time comparison of investigational compounds against a screening panel for drug development or repurposing applications. C-SPADE can be used with various types of drug screening assays and it is tailored to be accessible to researchers with little to no informatic skills.

Tero Aittokallio & Balaguru Ravikumar
University of Helsinki, Institute for Molecular Medicine Finland

Ravikumar, B. et al., 2017. C-SPADE: a web-tool for interactive analysis and visualization of drug screening experiments through compound-specific bioactivity dendrograms. Nucleic Acids Research, 45, W495-W500.