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README.md

Scaffold Visualizer

Scaffold Visualizer is an interactive tool for scaffold-based hierarchical visualization of chemical space.

Documentation

Demo Instance

A demo instance of Scaffold Visualizer is available at http://scaffvis.projekty.ms.mff.cuni.cz:9000/

Hierarchy

The visualization uses a Pubchem based scaffold hierarchy as a background. This background hierarchy can be downloaded independently in CSV format from http://scaffvis.projekty.ms.mff.cuni.cz/hierarchy.7z. Please note that this hierarchy export is supposed to be used for independent research and can not be directly used by Scaffold Visualizer.

License

GNU General Public License version 3

Citation

Velkoborsky, J., & Hoksza, D. (2016). Scaffold analysis of PubChem database as background for hierarchical scaffold-based visualization. Journal of Cheminformatics, 8(74) [DOI:10.1186/s13321-016-0186-7]