### FDA Model

Parameter | Value
--- | ---
Endpoint | Oral rat LD50
r2 | 0,781
q2 | 0,640
#chemicals | 30
Model | FDA Model

Model coefficients
Coefficient | Definition | Value | Uncertainty*
--- | --- | --- | ---
Intercept | Model intercept | 2,5865 | 0,2313
SaaaC_acnt | Count of ( aaaC ) (SaaaC_acnt) | -0,3033 | 0,1368
nCIR | Number of circuits | 0,1444 | 0,0396
nN | Number of Nitrogen atoms | -0,6357 | 0,2198
MATS2v | Moran autocorrelation - lag 2 / weighted by atomic van der Waals volumes | 8,3006 | 1,9996
-C(=O)O- [aliphatic attach] | -C(=O)O- [aliphatic attach] fragment count | -0,5544 | 0,5229
-C(=O)O- [cyclic] | -C(=O)O- [cyclic] fragment count | -0,4737 | 0,3608

* value for 90% confidence interval

Model equation:
Oral rat LD50 = -0,3033×(SaaaC_acnt) + 0,1444×(nCIR) - 0,6357×(nN) + 8,3006×(MATS2v) - 0,5544×(-C(=O)O- [aliphatic attach]) - 0,4737×(-C(=O)O- [cyclic]) + 2,5865

FDA model fit results by chemical FDA model training set descriptors