This statistical analysis allows the accuracy of the various methods in MOPAC to be compared. It is impossible to do an exact comparison of the various methods, because the sets of elements in each method are different, but the results presented here are a good-faith attempt to provide unbiased information.
The color code for errors compares various methods to PM7. If the average unsigned error for a given property for a given method is less than that for PM7, the number is in blue; it it is greater, the number is in red. Where the data-sets for a given property for a given method are identical to that for PM7, the number of data in the data-set is in black, otherwise it is in red.
Set |
|
Property |
|||||||||
All normal molecules |
|
|
|
|
|
||||||
Sets of normal molecules |
|
|
|
|
|
||||||
All solids |
|
|
|||||||||
Solids by element |
|
|
|
|
|||||||
All weak interactions |
|
|
|
|
|
|
|
||||