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Novick, P.A., Ortiz, O.F., Poelman, J., Abdulhay, A.Y., Pande, V.S. (2013) SWEETLEAD: An in silico database of approved drugs, regulated chemicals, and herbal isolates for computer-aided drug discovery. PLoS ONE (2013)

Individual chemical databases sometimes contain incorrect structural information about drugs. We seek to address this problem by providing accurate structures for use in drug discovery efforts and cheminformatics analysis.

License: SWEETLEAD Database

The SWEETLEAD database has been created to provide an exhaustive and highly curated resource for chemical structures of the world's approved medicines, illegal drugs, and isolates from traditional medicinal herbs. This database has been built using a consensus generating scheme pulling data from several public chemical databases (such as PubChem, ChemSpider, PharmGKB, etc.), as detailed in the publication.

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We provide SWEETLEAD in multiple formats: 1) 2D structures as isomeric smiles string, 2) 3D structures as an SDF file (with unspecified stereochemistry enumerated), and 3) a tab-delimited datafile.

We expect this database to be useful in virtual screening efforts, repurposing campaigns, and in other cheminformatics projects.

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