Medchem Explorer

Select Medchem Explorer (Diversity Explorer deals with combinatorial chemistry).

The user name is IT. The password will be issued during the course.

This list shows earlier projects started by others using the IT account.
You should create your own project.

Now create a new experiment within this project.

Select the Database access experiment.

Select Shape similarity

Select e.g. the Maybridge database.

Now you will need to start the WebLab Viewer program

Within the WebLab viewer window, you can sketch a molecule, or import the molecule as e.g a PDB file created and saved from another program

With a molecule present in the WebLab Viewer windor, click on Run Search

The search starts, and after a few minutes, progress indicators appear

Select one or more molecules which in your assessment are "similar" to the target molecule, and include these in your final report.

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