### FDA Model

Parameter | Value
--- | ---
Endpoint | Fathead minnow LC50 (96 hr)
r2 | 0,875
q2 | 0,813
#chemicals | 54
Model | FDA Model

Model coefficients
Coefficient | Definition | Value | Uncertainty*
--- | --- | --- | ---
Intercept | Model intercept | -3,6429 | 3,1074
xvch5 | Valence 5th order chain chi index | 14,8368 | 5,3669
StsC | Sum of ( tC – ) E-States (StsC) | 1,1642 | 0,3641
ATS8p | Broto-Moreau autocorrelation of a topological structure - lag 8 / weighted by atomic polarizabilities | 0,4342 | 0,2831
MATS1e | Moran autocorrelation - lag 1 / weighted by atomic Sanderson electronegativities | 4,0524 | 1,0221
GATS7p | Geary autocorrelation - lag 7 / weighted by atomic polarizabilities | 0,4008 | 0,2449
piPC01 | Molecular multiple path count of order 01 (sum of conventional bond orders, SCBO) | 2,2906 | 1,0544
>C= [aromatic attach] | >C= [aromatic attach] fragment count | -0,7694 | 0,5052
-C(=O)- [aromatic attach] | -C(=O)- [aromatic attach] fragment count | 1,0651 | 0,8101
-C(=O)O- [aromatic attach] | -C(=O)O- [aromatic attach] fragment count | 0,3208 | 0,2625
-CCl3 [aliphatic attach] | -CCl3 [aliphatic attach] fragment count | 1,1203 | 0,7681

* value for 90% confidence interval

Model equation:
Fathead minnow LC50 (96 hr) = 14,8368×(xvch5) + 1,1642×(StsC) + 0,4342×(ATS8p) + 4,0524×(MATS1e) + 0,4008×(GATS7p) + 2,2906×(piPC01) - 0,7694×(>C= [aromatic attach]) + 1,0651×(-C(=O)- [aromatic attach]) + 0,3208×(-C(=O)O- [aromatic attach]) + 1,1203×(-CCl3 [aliphatic attach]) - 3,6429

FDA model fit results by chemical FDA model training set descriptors