PREDICT - Software Demonstration Version

This demonstration version allows you to select which properties to calculate, over any temperature range, but always for 1-propanol. When PREDICT requests optional data or the chemical structure, you can enter a value, but PREDICT will use an internal number for 1-propanol, thus the difference between the demonstration version and the full version.

To better understand estimation methods, please refer to the extensive on-line help in the demo. Also, for a complete explanation of rquested structures or input data, see the on-line help. You can also view the entire PREDICT manual on-line.

INSTALLATION

Copy preddemo.zip to a directory on your hard disk. From that directory use pkunzip.exe from PkWare to unzip the file type:

pkunzip preddemo [Enter]

The program requires about 2.5 MB of hard disk space for installation.

RUNNING the DEMO

Type PREDICT from the directory containing the demo. PREDICT will ask if you would like to retrieve data from the database (only 1-propanol is in the demo database), if you do, enter Y, followed by C3H8O, the empirical formula of propanol. Three components, all 1-propanol, will be displayed, anyone can be selected. If you chose not to use the database, enter a compound name. From the main screen, select a property to calculate, enter a temperature range and respond to all of the prompts. As in the full version of PREDICT a value can be entered for any data request or it can be estimated.

OUTPUT OPTIONS from the DEMO

Calculated properties can be displayed, printed or displayed as graphs. The graphs can be printed to a HP Laserjet (the demo is configured for 150 dpi to speed printing).

Please try the regression system as well. Any calculated property can be fit to your favorite equation and displayed as a graph.

Results can also be saved to a file or as an additional compound in the user database.

PREDDEMO.ZIP - PREDICT Demonstration Program, must be unziped with pkunzip.. (File size 466 KB)

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