Custom AutoQSAR Property Definition Dialog Box

Define a new property for optimization from an AutoQSAR model for relevant data. The model must be fitted before you can define a property: this dialog box does not generate the model. Generate AutoQSAR models using the AutoQSAR Panel.

To open this dialog box, choose Define new AutoQSAR property from the Property menu in the Optoelectronics Genetic Optimization Panel.

  • Features
  • Additional Resources

Custom AutoQSAR Property Definition Dialog Box Features

Name text box

Specify the name to be used for the custom property. This name is used in the property menu in the Optoelectronics Genetic Optimization panel.

Units text box

Specify the units for the custom property (optional). These units are displayed in the main panel and used in the log file.

AutoQSAR model file text box and Browse button

Enter the name of the AutoQSAR model file that defines the custom property in the text box, or click Browse and navigate to the file. The file is an archive, with the default extension .qzip. AutoQSAR model files are created using the AutoQSAR Panel.

Reset button

Clear all data from the panel.

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