### FDA Model

Parameter | Value
--- | ---
Endpoint | Fathead minnow LC50 (96 hr)
r2 | 0,883
q2 | 0,822
#chemicals | 30
Model | FDA Model

Model coefficients
Coefficient | Definition | Value | Uncertainty*
--- | --- | --- | ---
Intercept | Model intercept | -7,4373 | 6,2812
MDEN23 | Molecular distance edge between all secondary and tertiary nitrogens | 9,7139 | 5,0807
BEHm2 | Highest eigenvalue n. 2 of Burden matrix / weighted by atomic masses | 2,1784 | 1,9712
ATS6p | Broto-Moreau autocorrelation of a topological structure - lag 6 / weighted by atomic polarizabilities | 1,8329 | 0,7740
GATS5e | Geary autocorrelation - lag 5 / weighted by atomic Sanderson electronegativities | -0,7139 | 0,5421
-CH< [aromatic attach] | -CH< [aromatic attach] fragment count | 1,1596 | 0,4045
-C(=O)- [nitrogen, aromatic attach] | -C(=O)- [nitrogen, aromatic attach] fragment count | -0,9306 | 0,7700

* value for 90% confidence interval

Model equation:
Fathead minnow LC50 (96 hr) = 9,7139×(MDEN23) + 2,1784×(BEHm2) + 1,8329×(ATS6p) - 0,7139×(GATS5e) + 1,1596×(-CH< [aromatic attach]) - 0,9306×(-C(=O)- [nitrogen, aromatic attach]) - 7,4373

FDA model fit results by chemical FDA model training set descriptors