Chemistry Reference
In-Depth Information
TABLE 5.20 (
Continued
)
QCARs with Less Numerous Physicochemical Properties Used to Predict Cation Toxicity
Reference
Test Substances
QCARs
r
2
s
p
n
( )
Log EC50 = −1.21 + 1.11(Δβ)
Tatara et al. (1997)
Ca
2+
, Cd
2+
, Cu
2+
, Hg
2+
, Mg
2+
, Mn
2+
,
Ni
2+
, Pb
2+
, Zn
2+
Log EC50 = 3.06 − 1.23
X
r
m
0.22
0.71
17.058
6.335
9
9
A
Log EC50 = 8.64 − 0.58(Log-K
so
MOH)
0.61
8.507
9
Log EC50 = −13.83 + 1.47(|log
K
OH
|)
0.83
3.702
9
B
2
Log EC50 = −3.13 − 0.86
X
r
m
(
)
+1.06(Z
2
/r)
0.25
19.008
9
F
Log EC50 = −5.54 + 1.03(Δβ) + 0.90(Z
2
/r)
0.75
6.459
9
Tatara et al. (1998)
Ca
2+
, Cd
2+
, Co
2+
, Cr
3+
, Cs
+
, Cu
2+
,
Fe
3+
, K
+
, La
3+
, Li
+
, Mg
2+
, Mn
2+
,
Na
+
, Ni
2+
, Pb
2+
, Sr
2+
, Zn
2+
.
( )
Log EC50 = −1.43 + 0.27(|log
K
OH
|)
Log EC50 = 3.22 − 0.60
X
r
m
0.54
0.67
0.75
0.83
0.694
0.501
0.397
0.280
42.04
36.50
33.32
27.64
17
17
17
17
A
B
F
D
Log EC50 = 2.59 − 0.64
X
r
m
2
(
)
− 0.14(Z
2
/r)
Log EC50 = 0.05 − 0.39
X
r
(
2
)
+ 0.20(|log
K
OH
|)
Reference
Test Substance(s)
QCARs
r
2
adj.
s
p
n
Enache et al.
(1999)
Ba
2+
, Ca
2+
, Cd
2+
, Co
2+
, Mg
2+
, Mn
2+
,
Ni
2+
, Pb
2+
, Zn
2+
0.19
0.21
0.000
0.000
10
10
−(log EC
50
) = 2.67 + 0.000012(ΔH
o
)
−(log EC
50
) = 2.07 + 0.00876(ΔH
aq ion
)
Enache et al.
(2000)
Cd
2+
, Co
2+
, Cr
3+
, Cr
6+
, Fe
3
, Hg
+
,
Hg
2+
, Mn
2+
, Ni
2
, V
3+
, Zn
2+
0.65
0.65
0.67
0.66
0.006
0.006
11
11
−(log Rrg
50
) = −1.55 + 0.0442 AN + 0.246 ΔIP
−(log Rrg
50
) = −1.28 + 0.0165 AW + 0.242 ΔIP
Enache et al.
(2003)
Ca
2+
, Cd
2+
, Co
2+
, Cu
2+
, K
1+
, Li
1+
,
Mg
2+
, Mn
2+
, Na
1+
, Ni
2+
, Zn
2+
, La
3+
0.66
0.70
0.74
0.69
0.000
0.000
12
12
−(log EC
50
) = 3.74 − 0.0167 ΔH
h
−(log EC
50
) = 0.867 + 0.000296 ρ
−(log EC
50
) = −0.145 + 0.182 IP
0.67
0.73
0.000
12
C
−(log EC
50
) = 7.93 − 0.502 | log K
OH
|)
0.77
0.61
0.000
12
B
−(log EC
50
) = 0.430 + 0.165 log K(EDTA)
0.74
0.64
0.000
12
0.65
0.75
0.000
12
A
−(log EC
50
) = 0.212 + 1.37
X
r
2
m
−(log EC
50
) = − 1.04 + 0.445 ΔIP
0.66
0.74
0.000
12
