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Structure Searching

All of the reaction schemes and structures in Pharmaceutical Substances are structure searchable. The incorporation of a choice of three draw software alternatives in the program, provide the user with a simple, user friendly method for searching the product.

Pharmaceutical Substances Start Page

When logged in to the product simply click on the Advanced Search button on the top left hand side to take you straight to the Advanced Search interface.

Search Interface


First chose the preferred drawing software from the choices on the search interface by selecting the marker beside the software name.
Then click on the draw button to open the selected drawing software.
ISIS Draw Structure Editor

The chosen software interface (here ISIS/Draw) will then automatically open. Once you have drawn the desired structure (here 3,7-dimethyl-1,2,3,7,8,8a-hexahydro-naphthalene) click on the submit button in the top left hand corner of the ISIS/Draw window.
Alternatively when using ChemDraw or Java Applet there is a button labelled 'Transfer' bottom left on the draw window.
Performing Search

The structure is automatically transfered into the Advanced Search Interface where you can choose between a substructure or exact structure search, using the radio buttons. Clicking on the search button and then takes you straight to the relevant hits. With this substructure search, we retrieve exactly one hit: Simvastatin.
Results of Search The hit documents are listed in the left hand frame and the information displayed in the right hand frame. In addition to substructures searches, exact structure and reaction searches are also possible, and using the boolean functions structure searches can be combined with up to three text based queries.
Searching CAS Numbers / Searching Text