SistematX, an online web-based cheminformatics tool for data management of secondary metabolites

Dereplication is a chemical screening process of separation and purification that eliminates known and studied constituents, leaving other novel metabolites for future study. This is an important part of pharmaceutical and natural product development, requiring appropriate data management and retrieval for researchers around the world. However, Scotti et al. found a lack of secondary metabolite databases that met their needs. Noting a need for complex searches, structure management, visualizations, and taxonomic rank in one package, they developed SistematX, "a modern and innovative web interface." They conclude the end result is a system that "provides a wealth of useful information for the scientific community about natural products, highlighting the location of species from which the compounds were isolated."

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