How is the QPlimits file used?

The QPlimits file can be altered with any text editor to customize the limits for known drugs. For each structure a star is assigned for each property which falls outside the range of 95% of known drugs. The default limits are based on a set of test molecules studied by Professor William L. Jorgensen. However the user can change these limits by entering their own minimum and maximum values. Changing the limits will change the number of stars assigned to each structure. The QPlimits file is also used to select standard or fast processing mode.

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