### Model # 846

Parameter | Value
--- | ---
Endpoint | Daphnia magna LC50 (48 hr)
r2 | 0,747
q2 | 0,665
#chemicals | 67
Model | Model # 846

Model coefficients
Coefficient | Definition | Value | Uncertainty*
--- | --- | --- | ---
Intercept | Model intercept | 3,6507 | 0,7901
xc3 | Simple 3rd order cluster chi index | 0,6064 | 0,3464
SssS | Sum of ( – S – ) E-States (SssS) | -0,7532 | 0,3969
SdssC_acnt | Count of ( = C < ) (SdssC_acnt) | -0,3832 | 0,1991
Hmin | Minimum hydrogen E-State value in molecule. | 1,0623 | 0,6595
MDEC44 | Molecular distance edge between all quaternary carbons | 2,3660 | 1,3970
MATS8p | Moran autocorrelation - lag 8 / weighted by atomic polarizabilities | 0,7089 | 0,2783
GATS8e | Geary autocorrelation - lag 8 / weighted by atomic Sanderson electronegativities | -0,2031 | 0,1363
XLOGP | Wang octanol water partition coefficient | 0,3392 | 0,1026
-CH< [aliphatic attach] | -CH< [aliphatic attach] fragment count | -0,5570 | 0,2253
AC | AC fragment count | -0,2183 | 0,1614
-F [aromatic attach] | -F [aromatic attach] fragment count | 1,2111 | 0,6427

* value for 90% confidence interval

Model equation:
Daphnia magna LC50 (48 hr) = 0,6064×(xc3) - 0,7532×(SssS) - 0,3832×(SdssC_acnt) + 1,0623×(Hmin) + 2,3660×(MDEC44) + 0,7089×(MATS8p) - 0,2031×(GATS8e) + 0,3392×(XLOGP) - 0,5570×(-CH< [aliphatic attach]) - 0,2183×(AC) + 1,2111×(-F [aromatic attach]) + 3,6507

Model 846 fit results by chemical Model 846 training set descriptors