Factors Critical to Inhibitor Performance

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Comments:
         : Based on your analysis:

: "EHOMO is the highest occupied molecular orbital, and
: ELUMO is the lowest unoccupied one and
: means the dipole moment of molecules"

: The empirical equation that you have come up with
: appears to only be a function of EHOMO which is the
: highest occupied molecular orbital and not ELUMO.

: Please check the equation and see if ELUMO was deleted.