### Model # 820

Parameter | Value
--- | ---
Endpoint | Daphnia magna LC50 (48 hr)
r2 | 0,763
q2 | 0,603
#chemicals | 48
Model | Model # 820

Model coefficients
Coefficient | Definition | Value | Uncertainty*
--- | --- | --- | ---
Intercept | Model intercept | 3,3738 | 1,7335
xv2 | Valence 2nd order chi index | 0,6794 | 0,2579
SsaaC | Sum of ( saaC ) E-States (SsaaC) | -0,4584 | 0,1746
icycem | Mean information on the vertex cycle matrix equality | 2,1402 | 1,4291
MDEC12 | Molecular distance edge between all primary and secondary carbons | -0,1854 | 0,1134
nO | Number of Oxygen atoms | -0,5028 | 0,1545
MATS3p | Moran autocorrelation - lag 3 / weighted by atomic polarizabilities | 1,5065 | 1,1489
MATS8p | Moran autocorrelation - lag 8 / weighted by atomic polarizabilities | 1,1780 | 0,3237
-CH< [aliphatic attach] | -CH< [aliphatic attach] fragment count | -0,8726 | 0,3387
-C(=O)- [nitrogen, aliphatic attach] | -C(=O)- [nitrogen, aliphatic attach] fragment count | -0,9295 | 0,4994

* value for 90% confidence interval

Model equation:
Daphnia magna LC50 (48 hr) = 0,6794×(xv2) - 0,4584×(SsaaC) + 2,1402×(icycem) - 0,1854×(MDEC12) - 0,5028×(nO) + 1,5065×(MATS3p) + 1,1780×(MATS8p) - 0,8726×(-CH< [aliphatic attach]) - 0,9295×(-C(=O)- [nitrogen, aliphatic attach]) + 3,3738

Model 820 fit results by chemical Model 820 training set descriptors