7. Tutorials and Exercises
We recommend that you confirm that all program settings are set to default in order to get similar results as in the tutorials. If any setting has been changed, you can restore the defaults using FILE >> Preferences... Each tab contains a Default button which reverts all the settings on that tab to their default values.
It is a good idea to start each tutorial in a fresh ADMET Predictor session. This will reduce the likelihood that you will "inherit" setting changes from earlier work that may affect your results.
Files used by tutorials and applications are located in the Tutorial folder in the application data directory for ADMET Predictor 13.0, which should be located in:
C:\Users<user_name>\AppData\Local\SimulationsPlus, Inc\ADMET_Predictor13.0\Tutorial
where <user_name> is your user name.
As you work through a given tutorial, the Windows File Open dialog will return you to the Tutorial folder you last visited. If you spread the tutorials over several sessions, that will probably not be the case. Nonetheless, the Tutorial folder will appear in the Recent Places folder under the Favorites list (or on the Places side bar) at the left side of your Windows Explorer Open dialog box, which makes it easy to find.
You can also drag the Tutorial folder icon from your ADMET Predictor AppData folder onto your Favorites list, which makes it even more readily accessible.
Keep in mind that the models you generate may differ somewhat from what is presented here in quantitative terms. This is because there are stochastic components in the model building process, and very small differences in function values and rounding on different platforms can have significant cumulative effects. Your results should, however, be qualitatively similar to what is presented here.
Topics covered here include:
Curating Data on BACE inhibitors