37 PCCs
|
General
|
Number of inside AD
|
29
|
22
|
19
|
29
|
31
|
30
|
22
|
Number of outside AD and missing prediction
|
8
|
15
|
18
|
8
|
6
|
6
|
15
|
Qualitative
|
Number of correct
|
16
|
9
|
11
|
16
|
11
|
8
|
8
|
Number of incorrect
|
13
|
13
|
8
|
13
|
20
|
23
|
14
|
Accuracy inside AD (%)
|
55
|
41
|
58
|
55
|
35
|
26
|
36
|
R2AD (toxicity class)
|
0.66
|
0.41
|
0.58
|
0.57
|
0.07
|
0.06
|
0.35
|
Quantitative
|
Accuracy within a factor of 10 (%)
|
83
|
82
|
74
|
90
|
55
|
42
|
86
|
Accuracy within a factor of 100 (%)
|
100
|
95
|
79
|
97
|
81
|
55
|
95
|
Accuracy within a factor of 1000 (%)
|
100
|
100
|
84
|
100
|
94
|
84
|
100
|
RMSE (log10 LC50)
|
0.71
|
0.87
|
1.83
|
0.75
|
1.47
|
2.09
|
0.80
|
R2AD (log10 LC50)
|
0.68
|
0.52
|
0.57
|
0.68
|
0.14
|
0.00
|
0.50
|
86 NCs
|
Qualitative
|
Number of inside AD
|
58
|
61
|
22
|
50
|
/
|
/
|
21
|
Number of outside AD and missing prediction
|
28
|
25
|
64
|
36
|
/
|
/
|
67
|
Number of correct
|
32
|
25
|
13
|
18
|
/
|
/
|
7
|
Number of incorrect
|
26
|
36
|
9
|
32
|
/
|
/
|
12
|
Accuracy inside AD (%)
|
55
|
41
|
59
|
36
|
/
|
/
|
37
|
R2AD (toxicity class)
|
0.37
|
0.10
|
0.42
|
0.03
|
/
|
/
|
0.37
|