Chemistry Reference
In-Depth Information
Co
2+
, Cu
2+
, Fe
3+
, Mn
2+
, Ni
2+
−log
EC
50
= 1.38 + 1.55 HELH
0.73
0.188
5.75
5
−log
EC
50
= 1.81 − 0.021 HEO
0.01
0.362
0.0
5
−log
EC
50
= −0.39 + 0.152 HEM
0.555
0.241
3.75
5
−log
EC
50
= 1.75 + 0.009 O-EO
0.017
0.359
0.05
5
−log
EC
50
= 1.49 + 0.004 O-EM
0.042
0.355
0.13
5
−log
EC
50
= 1.00 + 0.033 U-ELH
0.754
0.180
9.18
5
−log
EC
50
= 0.975 + 0.124 U-EO
0.503
0.255
3.04
5
−log
EC
50
= 2.06 - 0.012 U-EM
0.657
0.212
5.75
5
Reference
Test Substances
QCARs
r
2
s
n
Roy et al. (2009)
Ca
2+
, Co
2+
, Cr
3+
, Cu
2+
, Fe
3+
, Mg
2+
,
Mn
2+
, Na
+
, Ni
2+
, Zn
2+
Calc
.
LC
50
= −0
.
0181AN + 0
.
5272
0.923
0.054
10
Ca
2+
, Co
2+
, Cr
3+
, Fe
3+
, K
+
, Li
+
, Mg
2+
,
Mn
2+
, Na
+
, Ni
2+
Calc
.
LC
50
= −7
.
1 × 10
−04
ω
+ 0
.
2987
0.793
4.337
10
Reference
Test Substances
QCARs
r
2
SE
F
n
Sacan et al. (2009)
Ag
+
, Cd
2+
, Co
2+
, Cr
3+
, Cu
2+
, Hg
2+
,
Ni
2+
, Zn
2+
pTO
2
= −1.18(±0.14) Z + 3.47(±0.29)
0.92
0.20
67.40
8
pTO
2
= 0.07(±0.02)
E
LUMO(g)
+ 2.61(±0.38)
0.75
0.36
17.51
8
pTO
2
= 0.08(±0.01)
E
HOMO(g)
+ 3.74(±0.47)
0.85
0.27
33.32
8
pTO
2
= −0.10(±0.02)
IP
+ 2.87(±0.32)
0.85
0.27
34.25
8
C
pTO
2
= −0.14(±0.04) Z
2
/
r
+ 1.92(±0.25)
0.72
0.37
15.67
8
E
pTO
2
= 0.06(±0.01)
E
PSS
+ 2.28(±0.29)
0.77
0.34
20.34
8
pTO
2
= 0.08(±0.01) µ
(g)
+ 3.39(±0.32)
0.90
0.22
54.12
8
pTO
2
= 0.22(±0.06) µ
(aq)
+ 2.96(±0.52)
0.70
0.39
13.76
8
pTCO
2
= −1.17(±0.21) Z + 3.26(±0.43)
0.84
0.30
31.25
8
pTCO
2
= 0.06(±0.02)
E
LUMO(g)
+ 2.36(±0.47)
0.63
0.45
10.36
8
pTCO
2
= 0.08(±0.02)
E
HOMO(g)
+ 3.62(±0.51)
0.83
0.31
28.89
8
pTCO
2
= −0.09(±0.02)
IP
+ 2.63(±0.43)
0.74
0.38
17.13
8
C
pTCO
2
= −0.14(±0.04)
Z
2
/
r
+ 1.70(±0.30)
0.61
0.46
9.38
8
E
(
Continued
)
