|
Toxicophore
|
Signal
|
Performance
|
|---|
|
Kaizus name
|
Count features
|
Full
|
Activating
|
BAC
|
SEN
|
SPEC
|
|---|
|
Specific aromatic nitro
|
15
|
0.84
|
0.88
|
?
|
0.95
|
?
|
|
Specific aromatic amine
|
27
|
0.77
|
0.82
|
?
|
0.90
|
?
|
|
Aromatic nitroso
|
2
|
0.89
|
0.89
|
?
|
1.00
|
?
|
|
Alkyl nitrite
|
1
|
0.80
|
0.67
|
?
|
1.00
|
?
|
|
Nitrosamine
|
9
|
0.90
|
0.90
|
?
|
0.98
|
?
|
|
Epoxide
|
4
|
0.65
|
0.66
|
0.65
|
0.83
|
0.46
|
|
Aziridine
|
3
|
0.84
|
0.84
|
0.46
|
0.93
|
0.00
|
|
Azide
|
3
|
0.85
|
0.89
|
?
|
0.99
|
?
|
|
Triazene
|
1
|
0.78
|
0.88
|
0.75
|
1.00
|
0.50
|
|
Unsubstituted heteroatom-bonded-heteroatom
|
8
|
0.83
|
0.76
|
?
|
0.89
|
?
|
|
Aromatic hydroxylamine
|
2
|
0.79
|
0.77
|
0.50
|
1.00
|
0.00
|
|
Aliphatic halide
|
22
|
0.76
|
0.82
| |
0.85
| |
|
Carboxylic acid halide
|
2
|
0.86
|
0.94
|
0.44
|
0.88
|
0.00
|
|
Nitrogen sulphur or mustard
|
1
|
1.00
|
1.00
|
?
|
1.00
|
?
|
|
Bay-region in Polycyclic aromatic hydrocarbons
|
1
|
0.80
|
0.82
|
0.64
|
0.94
|
0.34
|
|
K-region in Polycyclic aromatic hydrocarbons
|
1
|
0.80
|
0.82
|
0.64
|
0.94
|
0.34
|
|
Diazo
|
0
|
?
|
?
|
?
|
?
|
?
|
|
Aromatic azo
|
0
|
?
|
?
|
?
|
?
|
?
|
- ? refers to a value that could not be calculated.
