EnamineStore
EnamineStore is a package for the Datagrok platform. It provides integration with the Enamine Store, a service for online shopping for the chemical building blocks.
There are two ways to use the integration: as an application, or as an info panel for chemical structures.
Application
The application allows to search in the Enamine Store and show results in the table view. Sketch the structure using the sketcher in the right panel, and use controls below it to filter results. Direct link: https://public.datagrok.ai/apps/EnamineStore
Info-panel
This info-panel shows exact, similar and substructure matches found in the Enamine Store for the currently
selected molecule. To make a molecule current, either click on it in a table, or sketch it using
Chem | Sketch.
Click on a molecule in the 'Enanime Store' panel to open the corresponding page on enaminestore.com.
See also: