QSARs for Predicting Cation Toxicity, Bioconcentration, Biosorption, and Binding - Fundamental QSARs for Metal Ions - page 161

TABLE 5.1 ( Continued )
References from Walker et al. (2003) That Provided QSARs

Reference QSARs

Sauvant et al. (1997) RNA: logIC 50 = 2.012 − 0.226IP( eV )

MTT: logIC 50 = 7.024 − 0.796IP( eV )
NRI: logIC 50 = 7.641 − 0.847IP( eV )
CB: logIC 50 = 7.814 − 0.859IP( eV )
CGR: logIC 50 = 5.375 − 0.566IP( eV )
DTP: logIC 50 = 2.988 − 0.303IP( eV )

Tatara et al. (1997)

Log LC 50 = −1.27 + 0.98(ΔE 0 )
Log LC 50 = 3.06 − 1.23 X r
m

( )
Log LC 50 = −1.21 + 1.11(Δβ)
Log LC 50 = 8.64 − 0.58(Log-K so MOH)
Log LC 50 = −13.83 + 1.47(|log K OH |)
Log LC 50 = −10.47 + 83.49(σ p )
Log LC 50 = 3.93 − 0.87(AN/ΔIP) + 0.08(ΔE 0 )
Log LC 50 = −3.13 − 0.86 X r
m

( ) + 1.06(Z 2 /r)
Log LC 50 = −5.54 + 1.03(Δβ) + 0.90(Z 2 /r)

Tatara et al. (1998)

Log LC 50 = 0.29 + 0.69(ΔE 0 )
Log LC 50 = 2.59 − 0.64 X r

( )
Log LC 50 = −1.23 + 16.72(σ p )
Log LC 50 = −1.43 + 0.27(|log K OH |)
Log LC 50 = 0.53 − 0.06(AN/ΔIP) + 0.72(ΔE 0 )
Log LC 50 = 3.22 − 0.60 X r
m

m

( ) −0.14(Z 2 /r)

2

( ) + 0.20(|log K OH |)
Log LC 50 = 1.61 + 0.35(ΔE 0 )−0.41 X r

Log LC 50 = 0.05 − 0.39 X r

m

( )
Log LC 50 = −1.21 + 0.22(ΔE 0 ) + 0.22(|log K OH |)
Log LC 50 = −1.63 + 4.58(σ p ) + 0.22(|log K OH |)

m

Lewis et al. (1999) pT50 mouse = 0.41 E ° + 3.72

Enache et al. (1999)

−(log EC 50 ) = 3.59 − 14.4(σ p ) r 2 = 0.83, sd = 0.21, F = 45.7, n = 10
−(log EC 50 ) = 2.67 + 0.000012(ΔH o )
−(log EC 50 ) = 2.07 + 0.00876(ΔH aq ion )

Enache et al. (2000)

−(log Rrg 50 ) = 8.57 − 7.26 X AR − 2.51 ΔE 0 + 4.45 X
−(log Rrg 50 ) = −1.36 − 1.53 ΔE 0 + 1.20 X 2 r + 0.239 ΔIP
−(log Rrg 50 ) = −0.74 + 0.0195 AW − 1.94 ΔE 0 + 0.295 ΔIP
−(log Rrg 50 ) = −1.07 + 0.0519 AN − 1.91 ΔE 0 + 0.299ΔIP
−(log Rrg 50 ) = −0.39 + 0.713 Z − 2.47 ΔE 0 + 1.43 X 2 r
−(log Rrg 50 ) = 0.58 + 0.250 Z/r − 2.41 ΔE 0 + 1.35 X 2 r
−(log Rrg 50 ) = 12.2 − 8.54 X AR − 1.59 ΔE 0 − 3.04 X
−(log Rrg 50 ) = −1.02 + 0.0187 AW − 1.10 ΔE 0 + 0.264 ΔIP
−(log Rrg 50 ) = −1.33 + 0.0498 AN − 1.07 ΔE 0 + 0.268 ΔIP
−(log Rrg 50 ) = −1.55 + 0.0442 AN + 0.246 ΔIP
−(log Rrg 50 ) = −1.28 + 0.0165 AW + 0.242 ΔIP

( Continued )