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. 2013 Jul 12;5:34. doi: 10.1186/1758-2946-5-34

Table 6.

Comparison between BDEs predicted by ASNN and BDEs predicted as the average of BDEs for the bonds of the same type in the training set a

 
 Fixed values
 ASNN
Bonds RMSD MaxError MAD RMSD MaxError MAD R2
C-C
 21.64
 62.88
 16.56
 5.47
 22.95
 3.72
 0.938
C-H
 15.48
 58.64
 12.94
 3.68
 22.64
 2.20
 0.944
C-N
 20.57
 65.28
 15.65
 6.70
 17.33
 5.02
 0.955
C-O
 14.18
 46.63
 10.87
 5.42
 16.67
 3.87
 0.979
C-S
 11.03
 23.36
 8.85
 4.29
 10.46
 3.20
 0.950
H-N
 13.20
 33.17
 10.17
 8.31
 34.99
 5.19
 0.586
H-O
 22.65
 44.56
 15.62
 12.46
 22.54
 9.53
 0.586
N-N
 21.81
 42.80
 18.12
 10.10
 15.12
 8.47
 0.736
N-O
 8.65
 15.21
 7.44
 7.58
 17.63
 5.07
 0.827
O-S 1.85 2.55 1.58 1.94 2.01 1.94 1.000

a Each line corresponds to a type of bond between atoms of specific elements and of a specific order.