QuaSAR can also be run in batch mode. The QuaSAR user interface provides graphical tools to inquire which descriptors are currently loaded in MOE, and to choose and to edit the parameters of the ones of interest. This window contains a descriptor list summarizing which molecular properties are to be computed. Each descriptor is identified by a unique descriptor code, and labeled according to its class. The descriptors in the list are computed for all molecules in the database.
Some examples are potential energy, volume, and water-accessible surface area.
The descriptor list is grown using the Add QuaSAR Descriptors panel. This panel lists all the currently available descriptors in the system. If descriptors take parameters, their parameter values can be accessed from a Parameters panel launched from the main QuaSAR window. QuaSAR descriptor output data are written to a molecular database file. The Database Viewer's plotting facility allows the user to examine the generated data and to select database entries whose values fall within a particular range of interest.