C-SPADE (Compound Specific bioActivity DEndrogram) web-application serves as an interactive and innovative visualization tool for drug screening data. It reterives compounds structural information and clusters them based on their structural similarties, 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.
C-SPADE: a web-tool for interactive analysis and visualization of drug screening experiments through compound-specific bioactivity dendrograms.
Balaguru Ravikumar, Zaid Alam, Gopal Peddinti, Tero Aittokallio;
Nucleic Acids Res 2017 gkx384. doi: 10.1093/nar/gkx384
For information, comments and/or suggestions, please contact us at:
FIMM - Aittokallio group
Computational Systems Medicine
FI-00014 University of Helsinki
Tukholmankatu 8,Biomedicum Helsinki 2U