### FDA Model

Parameter | Value
--- | ---
Endpoint | Oral rat LD50
r2 | 0,764
q2 | 0,655
#chemicals | 39
Model | FDA Model

Model coefficients
Coefficient | Definition | Value | Uncertainty*
--- | --- | --- | ---
Intercept | Model intercept | 4,3737 | 1,1053
xch6 | Simple 6th order chain chi index | 2,7239 | 2,0410
SaaN | Sum of ( aaN ) E-States (SaaN) | -0,2824 | 0,1643
SdsN_acnt | Count of ( = N – ) (SdsN_acnt) | -1,1022 | 0,6475
MATS2v | Moran autocorrelation - lag 2 / weighted by atomic van der Waals volumes | 4,8051 | 1,8392
GATS4m | Geary autocorrelation - lag 4 / weighted by atomic masses | -1,6996 | 0,7233
GATS8m | Geary autocorrelation - lag 8 / weighted by atomic masses | -0,3518 | 0,2332
-CH< [aromatic attach] | -CH< [aromatic attach] fragment count | 0,2710 | 0,2699

* value for 90% confidence interval

Model equation:
Oral rat LD50 = 2,7239×(xch6) - 0,2824×(SaaN) - 1,1022×(SdsN_acnt) + 4,8051×(MATS2v) - 1,6996×(GATS4m) - 0,3518×(GATS8m) + 0,2710×(-CH< [aromatic attach]) + 4,3737

FDA model fit results by chemical FDA model training set descriptors