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. 2021 May 5;13:37. doi: 10.1186/s13321-021-00514-2

Fig. 1.

Fig. 1

Database schema detailing additions to the existing SANCDB database, compound summary and analog pages. a Basic compound information (Name, Formula, SMILES…). b Allows users to view 2D and 3D depictions of the compound. c Structure download options and navigation to page listing commercially available analogs. d References, classifications, other names, sources organisms and uses. Analogs are updated monthly using an automated pipeline to access external database APIs, calculate similarity scores and insert into the local SQL database