Add From Project Dialog Box

In this dialog box, you select the entries from the Project Table that you want to add to the QSAR panels.

To open this dialog box, click From Project in the Atom-Based QSAR Panel or the Field-Based QSAR Panel.

  • Using
  • Features
  • Additional Resources

Using the Add From Project Dialog Box

To choose the ligands, select them in the table. You can use shift-click and control-click to select multiple ligands, and you can sort the table columns by clicking a column heading. You can also choose an activity property from the list on the right, and convert the activity values to the correct units. If you are building a QSAR model, you can choose a property that is used to assign ligands to the training set and the test set.

Add From Project Dialog Box Features

Choose entry from option menu

Choose the class of entries from the Project Table that is displayed in the entry list. Available classes are All (all entries in the Project Table), Selected (entries that are selected in the Project Table}, and Included (entries that are included in the Workspace).

Show Property button

Add a property from the Project Table to the entry list. Opens a dialog box, in which you can choose one or more properties to add. You can use shift-click and control-click to select multiple properties.

Entry table

This table lists entries from the Project Table according to the choice made from the Choose entry from option menu. You can use shift-click and control-click to select multiple entries. To sort the entries by the values in a column, click the column heading.

Sort by Project Table Order button

Sort the entries in the entry table by the order that they appear in the Project Table.

Choose an activity property property selector

Choose the property that you want to use for the activity from the list of properties. Only those properties that have real or integer values are displayed. You can restrict the list to properties from a given family with the Subset option menu, filter the properties by entering a text string to match in the Filter text box, and sort the properties with the Sort options. For details on these tools, see the Property Selection topic.

Convert property values option and text box

Convert the activity property to a logarithmic scale when the ligands are You can scale the raw values before conversion by entering the scale factor in the text box.

Choose QSAR set property property selector

Choose the property from the list of properties that you want to use to define the QSAR training and test sets. Properties that have real values are excluded from the list. You can restrict the list to properties from a given family with the Subset option menu, filter the properties by entering a text string to match in the Filter text box, and sort the properties with the Sort options. For details on these tools, see the Property Selection topic.

Training set value option menu

Choose the value of the property that defines the training set members from this option menu. The menu lists the available values of the chosen property. For example, if you chose a Boolean property, the training set could be defined by those with a value of True for the property.

Test set value option menu

Choose the value of the property that defines the test set members from this option menu. The menu lists the available values of the chosen property. For example, if you chose a Boolean property, the test set could be defined by those with a value of False for the property.

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