Mariboes

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MaRIboES is a system for metabolite and reaction inference based on enzyme specificities. It employs structural and stereochemistry similarity measures and molecular fingerprints to generalise enzymatic reactions based on data available in BRENDA.

Reference

http://bioinformatics.oxfordjournals.org/cgi/content/abstract/btp507

Gforge repository

https://gforge.nbic.nl/projects/mariboes/