SimTK: SWEETLEAD: A cheminformatics database of medicines, drugs, and herbal isolates.: Downloads

SWEETLEAD: A cheminformatics database of medicines, drugs, and herbal isolates.

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We have made the SWEETLEAD database available for download in multiple formats. 1) 2-D structures are provided as isomeric SMILES strings. 2) A flat file is available containing the data collected for each molecule (tab-separated). 3) 3-D structures are provided as an SDF file, with up to 4 unspecified stereocenters enumerated for each molecule. The data provided in the flatfile has been added to each molecule as SD data fields.

SWEETLEAD Database

Molecular structures, and associated identifying information, for the globally approved medicines, illegal drugs, and herbal extracts.

SWEETLEAD v1.0

Aug 20, 2013

Initial release of the SWEETLEAD database, as detailed in the associated publication. View License

Download Package

Download Links

SWEETLEAD.ism

Aug 20, 2013

282 KB

Any

Data/images/video

2-D structures of all molecules

SWEETLEAD.txt

Aug 20, 2013

5 MB

Any

Data/images/video

Flat file with molecule data

SWEETLEAD.sdf

Aug 20, 2013

60 MB

Any

Data/images/video

3-D structures of all molecules, up to 4 unspecified stereocenters enumerated

SimTK is maintained through Grant R01GM124443 01A1 from the National Institutes of Health (NIH). It was initially developed as part of the Simbios project funded by the NIH as part of the NIH Roadmap for Medical Research, Grant U54 GM072970.

Version 4.2.2. Website design by Viewfarm. Icons created by SimTK team using art by GraphBerry from www.flaticon.com under a CC BY 3.0 license. Forked from FusionForge 6.0.5.

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