🆕 Pharmacophore Search using Extended Hückel Theory
This video shows how to leverage the Extended Hückel annotation scheme to encode feature strength as part of a Pharmacophore Search and return hits with novel chemistry.
0:41 Launching the Pharmacophore Query Editor
1:12 Generating Pharmacophore Features
1:50 Leveraging Extended Hückel Theory annotation
2:05 Setting strength threshold for ligand donor/acceptor features
2:30 Setting the interaction energy cutoff using a receptor strength multiplier
5:05 Specifying an excluded shape using the Pharmacophore Editor
5:27 Performing a Pharmacophore Search
7:06 Inspecting hits featuring diverse chemistry using the Database Browser
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