410
P. M. Vassiliev et al.
• moderate—3.3·10
-4
≤ EC 50 < 1.0·10
-3
M or 10.0 < Δ (10
−4
) ≤ 25.0 % (82 compounds);
• high or moderate—EC 50 < 1.0·10
−3
M or Δ (10
−4
) > 10.0 % (153 compounds); and
• low—EC 50 ≥ 1.0·10
−3
M or Δ (10
-4
) ≤ 10.0 % (159 compounds).
The results of the computational-accuracy testing for the prediction of the extent of
antiplatelet activity of the condensed azole derivatives are shown in Table 12.14.
It can be concluded from the data that no adequate decision rules were developed
for the moderate- and high-activity gradations.
As discussed above (see Sect. 2), if there is a complete consensus on the positive
estimates for a high-level activity in three prediction strategies, and a high value of
the conformity coefficient of the prediction-estimates spectrum (21), the accuracy
of a search for highly active compounds is considerably higher. This property of
integral-consensus decision rules was successfully exploited in a search for substances with a high antiplatelet activity.
Table 12.14  Indices of the prediction accuracy for the antiplatelet-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
CS
High
97
96 98
17
78
47
87
18
80
53
88 13
Moderate
96
97 95
19
63
41
70
24
71
51
77 23
High or
moderate
96
97 96
15
73
78
67
19
78
81
74 17
NS
High,
NNM
100
100 100 –
73
55
79
–
72
61
78 –
Moderate, BA
71
91 63
–
56
60
54
–
53
43
56 –
High or
moderate,
NNM
100
100 100 –
72
73
72
–
76
73
79 –
RS
High,
NNM11
100
100 100 –
74
51
81
–
76
52
83 –
Moderate,
BA11
75
90 69
–
60
62
59
–
64
62
64 –
High or
moderate,
NNM8
100
100 100 –
71
73
71
–
75
72
79 –
The designations are the same as in Table 12.12