Wikipedia Chemical Structure Explorer: Substructure and similarity searching of molecules from Wikipedia
Peter Ertl, Luc Patiny, Thomas Sander, Christian Rufener and Michaël Zasso, Journal of Cheminformatics 2015.
DOI: /10.1186/s13321-015-0061-y.
Wikipedia, the world's largest and most popular encyclopedia is an indispensable source of chemistry information, containing among others also entries for over 15,000 chemicals including metabolites, drugs, agrochemicals or industrial chemicals. We provide here an easy access to this wealth of information by allowing substructure and similarity search tool for chemical structures referenced in Wikipedia.
This project is the result of a collaboration between Novartis, Ecole Polytechnique Fédérale de Lausanne and Actelion.
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