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P. M. Vassiliev et al.
Table 12.12  Indices of the prediction accuracy for the antioxidant-activity level of condensed
azole derivatives
Activity
level
ST, %
LOOCV, %
SHCV, %
F 0
F a F n F u F 0
F a
F n
F u F 0
F a
F n F u
EC 50
a
CS
b
High
96
91 98 5 91
74
97
8
90
75
95 5
Moderate 96
86 99 18 74
35
84
23 79
28
90 18
High or
moderate
97
94 99 10 80
73
86
11 82
76
87 11
NS
c,d
High, BA 94
87 96 – 90
83
93
–
89
79
92 –
Moderate,
DM
72
75 71 – 66
56
68
–
66
39
73 –
High or
moderate,
NNM
99
100 99 – 74
73
75
–
79
75
83 –
RS
e
High,
LDM10
94
88 96 – 90
79
94
–
89
77
93 –
Moderate,
BA11
73
83 70 – 60
58
61
–
66
60
68 –
High or
moderate,
DM10
78
78 79 – 72
72
72
–
74
74
74 –
Ind 10
a
CS
b
High
97
95 98 4 91
77
96
8
92
83
96 10
Moderate 97
90 99 17 79
30
89
24 82
41
90 18
High or
moderate
97
94 99 10 80
73
86
11 82
76
87 11
NS
c,d
High,
NNM
99
100 98 – 86
80
88
–
85
78
88 –
Moderate,
DM
75
75 75 – 68
54
71
–
65
44
70 –
High or
moderate,
NNM
99
100 99 – 74
73
75
–
79
75
83 –
RS
e
High,
DM10
88
88 88 – 85
82
85
–
86
86
85 –
Moderate,
BA11
73
90 70 – 62
59
62
–
66
63
67 –
High or
moderate,
DM10
78
78 79 – 72
72
72
–
74
74
74 –
a
Criteria for distinguishing an activity class.
b
The refusal of prediction was only defined in the conservative strategy.
c
The best prediction method is indicated.
d
The DLOOCV and LOOCV results are identical.
e
The best method of prediction and the type of descriptor are indicated.