Hi, I am trying to run 3D pharmacophore feature generation protocol but I am not sure how to write values in "Active properties" inside protocol. Every time when I run it shows that "Activity of compounds (list of compounds) is not greater than zero."
What is the format to write and how to solve this problem? Please let me know how to run this protocol.
Hi, I understand, let me explain. You don’t type directly in the Activity Property field in the 3D QSAR protocol parameters. If you open your input ligands .sd file in DS, you can enter the compound activity data into the Data table of the Molecule window. To add a property column: right-click in the Data table and select ‘Add Attribute’ (see screenshot below), give a Name. For example, I call it my_activity. Click OK.
Then you’ll see a new column in the Data table called ‘my_activity’, and you can enter the activity values for each compound in that column. And then when you click in the Activity Propery field in the protocol parameters, you can pick my_activity from the list. That’s all.
In short, the Activity Property parameter is for the user to pick the name of the property containing the molecular activity data. The activity data should be in the input ligands SD file. Hope this is clear.